18
# ORCA AIMD Position Step 0, t=0.00 fs, E_Pot=-685.25481980 Hartree, Unit is Angstrom
 C      0.6103612827      3.6417475963      0.0000000000
 C     -0.6103612827      3.6417475963     -0.0000000000
 C     -1.8733064384      3.1820731443      0.0000000000
 C     -2.8084341726      2.3974078107      0.0000000000
 C     -3.4804332556      1.2334712655      0.0000000000
 C     -3.6924094965      0.0312942201     -0.0000000000
 C     -3.4590266655     -1.2922855858      0.0000000000
 C     -2.8486653828     -2.3494623405      0.0000000000
 C     -1.8191030681     -3.2133677044      0.0000000000
 C     -0.6719990830     -3.6308794063     -0.0000000000
 C      0.6719990830     -3.6308794063      0.0000000000
 C      1.8191030681     -3.2133677044      0.0000000000
 C      2.8486653828     -2.3494623405      0.0000000000
 C      3.4590266655     -1.2922855858     -0.0000000000
 C      3.6924094965      0.0312942201      0.0000000000
 C      3.4804332556      1.2334712655      0.0000000000
 C      2.8084341726      2.3974078107      0.0000000000
 C      1.8733064384      3.1820731443     -0.0000000000
18
# ORCA AIMD Position Step 1, t=1.00 fs, E_Pot=-685.25372594 Hartree, Unit is Angstrom
 C      0.6145909697      3.6422887929      0.0026520328
 C     -0.6126709948      3.6540459485      0.0118672984
 C     -1.8681905154      3.1826699145      0.0004108816
 C     -2.8017189266      2.3911760972      0.0049522326
 C     -3.4869464493      1.2387940990     -0.0030469773
 C     -3.6984454486      0.0368644538     -0.0023811202
 C     -3.4575215922     -1.2952649303     -0.0022814354
 C     -2.8448566772     -2.3522227026     -0.0007923523
 C     -1.8266960794     -3.2102856028     -0.0000069397
 C     -0.6709956320     -3.6405952366     -0.0025380628
 C      0.6740336016     -3.6320636454     -0.0052995225
 C      1.8194964553     -3.2165988196      0.0015332492
 C      2.8549335284     -2.3517501732      0.0009965366
 C      3.4510372200     -1.2922107662     -0.0028381511
 C      3.6917419793      0.0309791594      0.0047584175
 C      3.4827523828      1.2307393143     -0.0006502080
 C      2.8087822997      2.3965194234      0.0006247101
 C      1.8706738788      3.1869126736     -0.0079605896
18
# ORCA AIMD Position Step 2, t=2.00 fs, E_Pot=-685.25159836 Hartree, Unit is Angstrom
 C      0.6178016088      3.6430621702      0.0053108734
 C     -0.6141616171      3.6663707457      0.0236812379
 C     -1.8635731095      3.1829223098      0.0008807545
 C     -2.7945953400      2.3854842728      0.0098649090
 C     -3.4936124416      1.2437227300     -0.0060578187
 C     -3.7044229658      0.0423188762     -0.0047876237
 C     -3.4559970688     -1.2981794875     -0.0045512198
 C     -2.8416486734     -2.3543454626     -0.0015886929
 C     -1.8327536476     -3.2080418081     -0.0000158787
 C     -0.6711087876     -3.6499436069     -0.0050887448
 C      0.6761763873     -3.6332724370     -0.0105802596
 C      1.8198472299     -3.2198498926      0.0030531860
 C      2.8611398411     -2.3541691330      0.0019820746
 C      3.4431562996     -1.2921652168     -0.0056371443
 C      3.6911180572      0.0307669448      0.0094681197
 C      3.4850366457      1.2280493750     -0.0012624679
 C      2.8086945242      2.3960764635      0.0012080246
 C      1.8688975684      3.1911957314     -0.0158796260
18
# ORCA AIMD Position Step 3, t=3.00 fs, E_Pot=-685.24951527 Hartree, Unit is Angstrom
 C      0.6195016913      3.6441638606      0.0079914766
 C     -0.6144739927      3.6787098602      0.0354269236
 C     -1.8595860405      3.1827346907      0.0014502804
 C     -2.7869728243      2.3805312392      0.0147266329
 C     -3.5003917078      1.2482476079     -0.0090340620
 C     -3.7102956473      0.0472182166     -0.0072202238
 C     -3.4545478780     -1.3006548474     -0.0068223380
 C     -2.8393560314     -2.3555783055     -0.0023832902
 C     -1.8363520443     -3.2071443198     -0.0000418813
 C     -0.6728372074     -3.6586819236     -0.0076553827
 C      0.6781677105     -3.6345782426     -0.0158344693
 C      1.8204514180     -3.2229874093      0.0045430508
 C      2.8669528523     -2.3571012437      0.0029614336
 C      3.4355843625     -1.2918313088     -0.0083808251
 C      3.6905500263      0.0304080879      0.0141200384
 C      3.4871841445      1.2257369518     -0.0018328979
 C      2.8080175390      2.3961709468      0.0017223923
 C      1.8683875914      3.1946465428     -0.0237336437
18
# ORCA AIMD Position Step 4, t=4.00 fs, E_Pot=-685.24842993 Hartree, Unit is Angstrom
 C      0.6194330227      3.6456726169      0.0107126434
 C     -0.6134460538      3.6910282982      0.0470895295
 C     -1.8562456603      3.1820849481      0.0021689510
 C     -2.7788262785      2.3764140827      0.0195222474
 C     -3.5072519360      1.2523504112     -0.0119775634
 C     -3.7160273295      0.0512385354     -0.0096812306
 C     -3.4532741606     -1.3023619142     -0.0091057883
 C     -2.8381712688     -2.3557679236     -0.0031756241
 C     -1.8369418507     -3.2079237148     -0.0001001180
 C     -0.6763797332     -3.6666670407     -0.0102415429
 C      0.6797742735     -3.6360395342     -0.0210558158
 C      1.8215082577     -3.2259226478      0.0059875560
 C      2.8721318090     -2.3608306969      0.0039363506
 C      3.4284689895     -1.2909961043     -0.0110506723
 C      3.6900433530      0.0297356400      0.0187025533
 C      3.4890993716      1.2240766030     -0.0023537340
 C      2.8067043972      2.3968109355      0.0021339474
 C      1.8693688061      3.1971163714     -0.0314981253
18
# ORCA AIMD Position Step 5, t=5.00 fs, E_Pot=-685.24852618 Hartree, Unit is Angstrom
 C      0.6176112662      3.6476259040      0.0134840837
 C     -0.6111346204      3.7032584047      0.0586364400
 C     -1.8534543899      3.1810359177      0.0030852420
 C     -2.7702255853      2.3731364538      0.0242287805
 C     -3.5141507356      1.2559821757     -0.0148791793
 C     -3.7215780506      0.0542008159     -0.0121742037
 C     -3.4522679301     -1.3030413365     -0.0114070617
 C     -2.8381374493     -2.3548995941     -0.0039635898
 C     -1.8344122241     -3.2104782385     -0.0002032459
 C     -0.6816078657     -3.6738497090     -0.0128509993
 C      0.6808205688     -3.6376895193     -0.0262286753
 C      1.8230771488     -3.2286295135      0.0073693542
 C      2.8765536840     -2.3654748258      0.0049052197
 C      3.4218906435     -1.2896107068     -0.0136234751
 C      3.6895937391      0.0287098080      0.0231945597
 C      3.4907101165      1.2232407069     -0.0028120453
 C      2.8048148160      2.3979144517      0.0024102097
 C      1.8718430642      3.1985950246     -0.0391379403
18
# ORCA AIMD Position Step 6, t=6.00 fs, E_Pot=-685.24910074 Hartree, Unit is Angstrom
 C      0.6143499692      3.6500092813      0.0163000729
 C     -0.6078151188      3.7152948938      0.0700172827
 C     -1.8510149509      3.1797343402      0.0042491566
 C     -2.7613466593      2.3706065000      0.0288143593
 C     -3.5210234539      1.2590683129     -0.0177240362
 C     -3.7269024614      0.0560770949     -0.0146977698
 C     -3.4516034338     -1.3025244876     -0.0137276468
 C     -2.8391352374     -2.3531052473     -0.0047444518
 C     -1.8291321600     -3.2146385558     -0.0003608677
 C     -0.6880565792     -3.6802850838     -0.0154852564
 C      0.6812166179     -3.6395327418     -0.0313260571
 C      1.8250616302     -3.2311505919      0.0086661021
 C      2.8802184474     -2.3709577255      0.0058633265
 C      3.4158570826     -1.2878055851     -0.0160716027
 C      3.6891860367      0.0274304217      0.0275671950
 C      3.4919750166      1.2232802820     -0.0031929048
 C      2.8025126823      2.3993136710      0.0025235771
 C      1.8755712479      3.1992158935     -0.0466049976
18
# ORCA AIMD Position Step 7, t=7.00 fs, E_Pot=-685.24905110 Hartree, Unit is Angstrom
 C      0.6102252562      3.6527618299      0.0191384454
 C     -0.6039523675      3.7270181640      0.0811795592
 C     -1.8486500861      3.1783923927      0.0057110093
 C     -2.7524513112      2.3686414125      0.0332438988
 C     -3.5277893639      1.2615280416     -0.0204921375
 C     -3.7319590048      0.0569786120     -0.0172501713
 C     -3.4513265523     -1.3007420560     -0.0160666220
 C     -2.8409096225     -2.3506336643     -0.0055154709
 C     -1.8219228583     -3.2199853757     -0.0005767754
 C     -0.6949544147     -3.6861446195     -0.0181497611
 C      0.6809673551     -3.6415471722     -0.0363155600
 C      1.8272282874     -3.2335908071      0.0098519932
 C      2.8832348053     -2.3770371269      0.0068051589
 C      3.4103091693     -1.2858627040     -0.0183658129
 C      3.6887954933      0.0261156668      0.0317887128
 C      3.4928819988      1.2241276374     -0.0034797865
 C      2.8000496433      2.4007701348      0.0024531409
 C      1.8801094395      3.1992401162     -0.0538485204
18
# ORCA AIMD Position Step 8, t=8.00 fs, E_Pot=-685.24764491 Hartree, Unit is Angstrom
 C      0.6059833356      3.6557915439      0.0219632366
 C     -0.6001275187      3.7383287532      0.0920905438
 C     -1.8460471848      3.1772610823      0.0075221123
 C     -2.7438437485      2.3669837252      0.0374862620
 C     -3.5343545458      1.2632979964     -0.0231660178
 C     -3.7367225202      0.0571174895     -0.0198310306
 C     -3.4514496949     -1.2977284709     -0.0184247716
 C     -2.8431298680     -2.3477880518     -0.0062742887
 C     -1.8139377731     -3.2259196166     -0.0008498654
 C     -0.7013131923     -3.6917063913     -0.0208577594
 C      0.6801605529     -3.6436938114     -0.0411669084
 C      1.8292565641     -3.2360959817      0.0109001811
 C      2.8857814318     -2.3833718413      0.0077223153
 C      3.4051398457     -1.2841475244     -0.0204788525
 C      3.6883857086      0.0250503080      0.0358312005
 C      3.4934485185      1.2256216086     -0.0036533997
 C      2.7977342267      2.4020062960      0.0021850022
 C      1.8848842516      3.1990163085     -0.0608258362
18
# ORCA AIMD Position Step 9, t=9.00 fs, E_Pot=-685.24508872 Hartree, Unit is Angstrom
 C      0.6024083899      3.6590015216      0.0247327340
 C     -0.5969370436      3.7491579774      0.1027444391
 C     -1.8429084574      3.1765793130      0.0097344739
 C     -2.7358222205      2.3653514457      0.0415201193
 C     -3.5406230435      1.2643547964     -0.0257298685
 C     -3.7411874470      0.0567593129     -0.0224454283
 C     -3.4519470948     -1.2936113789     -0.0208070626
 C     -2.8454599657     -2.3448575223     -0.0070199110
 C     -1.8064633130     -3.2317696451     -0.0011734312
 C     -0.7060807672     -3.6973134435     -0.0236333819
 C      0.6789401452     -3.6459300543     -0.0458575994
 C      1.8308053696     -3.2388275228      0.0117828661
 C      2.8880570595     -2.3896035777      0.0086074857
 C      3.4002256872     -1.2830226085     -0.0223886366
 C      3.6879157190      0.0245175534      0.0396760756
 C      3.4937110383      1.2275499277     -0.0036962017
 C      2.7958742223      2.4027502811      0.0017146749
 C      1.8892986941      3.1989212237     -0.0675123719
18
# ORCA AIMD Position Step 10, t=10.00 fs, E_Pot=-685.24243261 Hartree, Unit is Angstrom
 C      0.6001811053      3.6623105280      0.0274076965
 C     -0.5948763449      3.7594758753      0.1131623072
 C     -1.8390084598      3.1765280923      0.0124031517
 C     -2.7286287256      2.3634888404      0.0453325426
 C     -3.5464972384      1.2647219608     -0.0281715508
 C     -3.7453701733      0.0561765927     -0.0251049055
 C     -3.4527559680     -1.2885989999     -0.0232227703
 C     -2.8476200581     -2.3420540504     -0.0077534970
 C     -1.8006807237     -3.2369163235     -0.0015387558
 C     -0.7083347035     -3.7033030655     -0.0265089109
 C      0.6774776396     -3.6482208848     -0.0503754451
 C      1.8315743996     -3.2419336448      0.0124736011
 C      2.8902301761     -2.3954310184      0.0094550276
 C      3.3954595643     -1.2827716981     -0.0240757646
 C      3.6873389983      0.0247391264      0.0433112557
 C      3.4937159855      1.2296900937     -0.0035900573
 C      2.7947214983      2.4027886363      0.0010394666
 C      1.8928350794      3.1992908696     -0.0739005850
18
# ORCA AIMD Position Step 11, t=11.00 fs, E_Pot=-685.24079696 Hartree, Unit is Angstrom
 C      0.5997648592      3.6656651661      0.0299590371
 C     -0.5942336868      3.7692765204      0.1233726676
 C     -1.8342451986      3.1771930650      0.0155867977
 C     -2.7224215188      2.3612081261      0.0489102794
 C     -3.5518684138      1.2644798545     -0.0304806191
 C     -3.7493028492      0.0556105443     -0.0278237567
 C     -3.4537811806     -1.2829675154     -0.0256820899
 C     -2.8494102152     -2.3394925704     -0.0084781723
 C     -1.7974425256     -3.2408955330     -0.0019404258
 C     -0.7074906474     -3.7099133222     -0.0295166917
 C      0.6759482256     -3.6505481603     -0.0547147919
 C      1.8313568852     -3.2455206996      0.0129476844
 C      2.8923980079     -2.4006554487      0.0102601559
 C      3.3907780999     -1.2835444650     -0.0255204117
 C      3.6866055179      0.0258265577      0.0467268056
 C      3.4935134203      1.2318422200     -0.0033190042
 C      2.7944205456      2.4020148233      0.0001520677
 C      1.8951250802      3.2003631163     -0.0799849428
18
# ORCA AIMD Position Step 12, t=12.00 fs, E_Pot=-685.24048991 Hartree, Unit is Angstrom
 C      0.6013253200      3.6690439877      0.0323699545
 C     -0.5950169875      3.7785459568      0.1333762086
 C     -1.8286815973      3.1785362182      0.0193369491
 C     -2.7172673350      2.3584264318      0.0522320408
 C     -3.5566054501      1.2637644262     -0.0326433585
 C     -3.7530207515      0.0552522508     -0.0306107197
 C     -3.4548990293     -1.2770585004     -0.0281899022
 C     -2.8507150264     -2.3371916281     -0.0091975669
 C     -1.7970979912     -3.2434735338     -0.0023811456
 C     -0.7034850721     -3.7171913627     -0.0326741984
 C      0.6745189334     -3.6529099369     -0.0588662243
 C      1.8300771472     -3.2496277840      0.0131820565
 C      2.8945593286     -2.4051963338      0.0110183999
 C      3.3861876772     -1.2853264268     -0.0266971814
 C      3.6856648849      0.0277520061      0.0499048441
 C      3.4931520984      1.2338439636     -0.0028710261
 C      2.7949667505      2.4004698343     -0.0009620474
 C      1.8960012626      3.2022308381     -0.0857419108
18
# ORCA AIMD Position Step 13, t=13.00 fs, E_Pot=-685.24074722 Hartree, Unit is Angstrom
 C      0.6046907772      3.6724568504      0.0346396181
 C     -0.5969319014      3.7872436812      0.1431242621
 C     -1.8225591644      3.1803852721      0.0236868425
 C     -2.7131336326      2.3551857086      0.0552640011
 C     -3.5605543122      1.2627693978     -0.0346393952
 C     -3.7565548505      0.0552218754     -0.0334639885
 C     -3.4559707407     -1.2712562748     -0.0307409952
 C     -2.8514953011     -2.3350945566     -0.0099147742
 C     -1.7994129459     -3.2446809294     -0.0028748197
 C     -0.6968620095     -3.7249481560     -0.0359728007
 C      0.6733333110     -3.6553203776     -0.0628112713
 C      1.8278228571     -3.2542066615      0.0131589784
 C      2.8966078060     -2.4090911933      0.0117242552
 C      3.3817697953     -1.2879313600     -0.0275747626
 C      3.6844711199      0.0303307199      0.0528145419
 C      3.4926769513      1.2355827861     -0.0022403686
 C      2.7961925661      2.3983572810     -0.0023241652
 C      1.8955212184      3.2048205050     -0.0911201446
18
# ORCA AIMD Position Step 14, t=14.00 fs, E_Pot=-685.24036332 Hartree, Unit is Angstrom
 C      0.6093939102      3.6759498700      0.0367908066
 C     -0.5994335359      3.7953248907      0.1525427621
 C     -1.8162565457      3.1824579148      0.0286532180
 C     -2.7098830602      2.3516402727      0.0579726153
 C     -3.5635650586      1.2617261555     -0.0364494894
 C     -3.7599370066      0.0555574782     -0.0363762096
 C     -3.4568626328     -1.2659309719     -0.0333256006
 C     -2.8517772355     -2.3330902574     -0.0106335802
 C     -1.8036471506     -3.2447879481     -0.0034483606
 C     -0.6886746799     -3.7328102520     -0.0393831656
 C      0.6724886991     -3.6578155699     -0.0665346183
 C      1.8248423314     -3.2591337310      0.0128696924
 C      2.8983576612     -2.4124876685      0.0123737185
 C      3.3776558228     -1.2910386872     -0.0281222408
 C      3.6829856410      0.0332482401      0.0554237088
 C      3.4921251071      1.2370107047     -0.0014290756
 C      2.7977906310      2.3960150116     -0.0039631370
 C      1.8939541342      3.2079093440     -0.0960565408
18
# ORCA AIMD Position Step 15, t=15.00 fs, E_Pot=-685.23864720 Hartree, Unit is Angstrom
 C      0.6147950469      3.6796031095      0.0388706822
 C     -0.6018502489      3.8027664524      0.1615684330
 C     -1.8102059499      3.1844140967      0.0342504517
 C     -2.7073049886      2.3480039567      0.0603356590
 C     -3.5655046698      1.2608818110     -0.0380602654
 C     -3.7632036314      0.0562264344     -0.0393452833
 C     -3.4574672555     -1.2613790862     -0.0359383934
 C     -2.8516196795     -2.3310531525     -0.0113601982
 C     -1.8087939902     -3.2442032065     -0.0041395345
 C     -0.6802334533     -3.7403301299     -0.0428697703
 C      0.6720280263     -3.6604576458     -0.0700367212
 C      1.8215101001     -3.2642374486      0.0123141693
 C      2.8995770795     -2.4156136645      0.0129654337
 C      3.3739900266     -1.2942587527     -0.0283107389
 C      3.6811758596      0.0361071536      0.0577081023
 C      3.4915221576      1.2381421199     -0.0004434428
 C      2.7993817526      2.3938480138     -0.0059154449
 C      1.8917046455      3.2111912453     -0.1004987542
18
# ORCA AIMD Position Step 16, t=16.00 fs, E_Pot=-685.23587849 Hartree, Unit is Angstrom
 C      0.6202202752      3.6835235286      0.0409449394
 C     -0.6035201615      3.8095702736      0.1701681389
 C     -1.8048068172      3.1859211080      0.0405056639
 C     -2.7051537949      2.3445077156      0.0623474186
 C     -3.5662693247      1.2604554628     -0.0394666815
 C     -3.7663947686      0.0571501806     -0.0423802151
 C     -3.4577148327     -1.2577904825     -0.0385832580
 C     -2.8510845018     -2.3288706376     -0.0121049521
 C     -1.8138245859     -3.2433636436     -0.0049914797
 C     -0.6728363672     -3.7470874487     -0.0464057297
 C      0.6719318619     -3.6633352960     -0.0733373713
 C      1.8182609809     -3.2693377232      0.0114975712
 C      2.9000362287     -2.4187163028      0.0134999243
 C      3.3708977571     -1.2972182395     -0.0281137450
 C      3.6790102030      0.0384993493      0.0596552685
 C      3.4908781253      1.2390386332      0.0007102990
 C      2.8005885327      2.3922522351     -0.0082252176
 C      1.8892237701      3.2143451240     -0.1044146337
18
# ORCA AIMD Position Step 17, t=17.00 fs, E_Pot=-685.23306773 Hartree, Unit is Angstrom
 C      0.6250738683      3.6878347725      0.0430885121
 C     -0.6038893068      3.8157578939      0.1783471380
 C     -1.8003721959      3.1866947877      0.0474724205
 C     -2.7031868468      2.3413645705      0.0640178705
 C     -3.5657779788      1.2606092807     -0.0406715999
 C     -3.7695506215      0.0582446638     -0.0455034627
 C     -3.4575737060     -1.2552480585     -0.0412773310
 C     -2.8502112390     -2.3264638702     -0.0128817228
 C     -1.8178614472     -3.2426504891     -0.0060488683
 C     -0.6675826813     -3.7527492222     -0.0499831454
 C      0.6721269538     -3.6665597623     -0.0764733577
 C      1.8155250377     -3.2742780260      0.0104240355
 C      2.8995443928     -2.4219970709      0.0139787489
 C      3.3684605704     -1.2996372397     -0.0275034762
 C      3.6764513681      0.0400649017      0.0612630507
 C      3.4901881922      1.2397812590      0.0020299840
 C      2.8010881727      2.3915621536     -0.0109443681
 C      1.8869292543      3.2170911487     -0.1077932506
18
# ORCA AIMD Position Step 18, t=18.00 fs, E_Pot=-685.23135156 Hartree, Unit is Angstrom
 C      0.6288976783      3.6926631715      0.0453748263
 C     -0.6025661511      3.8213447192      0.1861354945
 C     -1.7971014324      3.1865258889      0.0552329045
 C     -2.7011893147      2.3387599323      0.0653665958
 C     -3.5639672583      1.2614232553     -0.0416817238
 C     -3.7727017357      0.0594532188     -0.0487477014
 C     -3.4570441178     -1.2537480613     -0.0440475511
 C     -2.8489996859     -2.3238020728     -0.0137071719
 C     -1.8202557661     -3.2423449019     -0.0073568598
 C     -0.6652891896     -3.7570777111     -0.0536115686
 C      0.6724987321     -3.6702546127     -0.0794886012
 C      1.8136720495     -3.2789448033      0.0090911936
 C      2.8979741166     -2.4255560946      0.0144018318
 C      3.3667069318     -1.3013756848     -0.0264463244
 C      3.6734526040      0.0405336544      0.0625328302
 C      3.4894340183      1.2404404875      0.0035194598
 C      2.8006444980      2.3920192500     -0.0141294801
 C      1.8851514458      3.2192234062     -0.1106349757
18
# ORCA AIMD Position Step 19, t=19.00 fs, E_Pot=-685.23141414 Hartree, Unit is Angstrom
 C      0.6313858677      3.6980969641      0.0478537018
 C     -0.5993606239      3.8262920321      0.1935341565
 C     -1.7950825796      3.1852988113      0.0638506189
 C     -2.6989992001      2.3368617417      0.0664113965
 C     -3.5608034821      1.2628696312     -0.0425003697
 C     -3.7758439875      0.0607661552     -0.0521336957
 C     -3.4561547114     -1.2532288660     -0.0469115189
 C     -2.8474105813     -2.3209231095     -0.0145953361
 C     -1.8206007666     -3.2426114575     -0.0089516726
 C     -0.6664653374     -3.7599001039     -0.0572947473
 C      0.6729079184     -3.6745220966     -0.0824088851
 C      1.8129690001     -3.2832580854      0.0074940896
 C      2.8952896886     -2.4293351776      0.0147639439
 C      3.3656160781     -1.3024513852     -0.0249080290
 C      3.6699729963      0.0397577873      0.0634582133
 C      3.4885915528      1.2410453639      0.0051802272
 C      2.7991310348      2.3937481866     -0.0178191660
 C      1.8841062344      3.2206197429     -0.1129288919
18
# ORCA AIMD Position Step 20, t=20.00 fs, E_Pot=-685.23312276 Hartree, Unit is Angstrom
 C      0.6324207284      3.7041285958      0.0505239927
 C     -0.5943584319      3.8304784644      0.2004699759
 C     -1.7942750423      3.1830295082      0.0732939899
 C     -2.6965352317      2.3358147918      0.0671657208
 C     -3.5563313703      1.2647854485     -0.0431254951
 C     -3.7789138273      0.0622221627     -0.0556426874
 C     -3.4549684266     -1.2535737722     -0.0498556551
 C     -2.8453827662     -2.3179515030     -0.0155499254
 C     -1.8187869666     -3.2434749489     -0.0108417963
 C     -0.6712128215     -3.7611193205     -0.0610046052
 C      0.6732115567     -3.6793905256     -0.0852185338
 C      1.8135167332     -3.2871660036      0.0056379915
 C      2.8915936860     -2.4330806130      0.0150536372
 C      3.3651148534     -1.3030466645     -0.0228739944
 C      3.6660088776      0.0377623386      0.0640231042
 C      3.4876399782      1.2415619045      0.0069967436
 C      2.7965743296      2.3967079479     -0.0219964428
 C      1.8838613272      3.2212628081     -0.1146435116
18
# ORCA AIMD Position Step 21, t=21.00 fs, E_Pot=-685.23554049 Hartree, Unit is Angstrom
 C      0.6321424936      3.7106627410      0.0533365395
 C     -0.5879511601      3.8337516121      0.2068508344
 C     -1.7944699751      3.1798913126      0.0834592244
 C     -2.6938044344      2.3356936733      0.0676486535
 C     -3.5506888968      1.2668854632     -0.0435585741
 C     -3.7818078250      0.0639037647     -0.0592300039
 C     -3.4535761610     -1.2546067761     -0.0528466521
 C     -2.8428454629     -2.3150746470     -0.0165672098
 C     -1.8150820941     -3.2447926600     -0.0130074415
 C     -0.6791166836     -3.7607808917     -0.0647006898
 C      0.6732955549     -3.6848111339     -0.0878771067
 C      1.8151868704     -3.2906872542      0.0035348974
 C      2.8871261233     -2.4363959764      0.0152585906
 C      3.3650709574     -1.3034912559     -0.0203556206
 C      3.6615884131      0.0347716842      0.0642164290
 C      3.4865608472      1.2418967714      0.0089401330
 C      2.7931782461      2.4006648768     -0.0265940579
 C      1.8842956014      3.2212757689     -0.1157534507
18
# ORCA AIMD Position Step 22, t=22.00 fs, E_Pot=-685.23739953 Hartree, Unit is Angstrom
 C      0.6309488630      3.7175672174      0.0562157220
 C     -0.5807625244      3.8359842279      0.2126328496
 C     -1.7953079530      3.1761813099      0.0942464883
 C     -2.6908905201      2.3364772990      0.0678888824
 C     -3.5440599363      1.2688288108     -0.0438112721
 C     -3.7844173573      0.0659185827     -0.0628539282
 C     -3.4520741477     -1.2561200228     -0.0558564503
 C     -2.8397241766     -2.3124863431     -0.0176436993
 C     -1.8101237670     -3.2462607392     -0.0154128007
 C     -0.6892913696     -3.7591047691     -0.0683628810
 C      0.6731039953     -3.6906920865     -0.0903451875
 C      1.8176364247     -3.2939382488      0.0011892746
 C      2.8821986680     -2.4388468033      0.0153712747
 C      3.3653152904     -1.3041927765     -0.0173777219
 C      3.6567432405      0.0311574167      0.0640397088
 C      3.4853321025      1.2419188609      0.0109806935
 C      2.7892869337      2.4052364820     -0.0315288900
 C      1.8851118889      3.2209174527     -0.1162561900
18
# ORCA AIMD Position Step 23, t=23.00 fs, E_Pot=-685.23783086 Hartree, Unit is Angstrom
 C      0.6294231312      3.7247058174      0.0590740141
 C     -0.5735527906      3.8370828548      0.2178299869
 C     -1.7963278052      3.1722764076      0.1055917070
 C     -2.6879417644      2.3380572294      0.0679188720
 C     -3.5366300612      1.2702884970     -0.0439024823
 C     -3.7866412520      0.0683485120     -0.0664867496
 C     -3.4505503260     -1.2578956148     -0.0588688945
 C     -2.8359531661     -2.3103471190     -0.0187797912
 C     -1.8048421161     -3.2474455588     -0.0180131068
 C     -0.7005036010     -3.7564631855     -0.0720006431
 C      0.6726338970     -3.6969243237     -0.0925929047
 C      1.8203879476     -3.2971091144     -0.0014056849
 C      2.8771197545     -2.4400538252      0.0153898911
 C      3.3656846696     -1.3055371489     -0.0139671348
 C      3.6514954849      0.0273477122      0.0635036013
 C      3.4839198364      1.2414962685      0.0130922977
 C      2.7853298063      2.4099510968     -0.0367220073
 C      1.8858963028      3.2205382092     -0.1161671101
18
# ORCA AIMD Position Step 24, t=24.00 fs, E_Pot=-685.23691149 Hartree, Unit is Angstrom
 C      0.6282243856      3.7319575400      0.0618227675
 C     -0.5671117687      3.8369839906      0.2224991541
 C     -1.7970346038      3.1685813400      0.1174668742
 C     -2.6851526409      2.3402618219      0.0677683193
 C     -3.5285568983      1.2710034832     -0.0438534804
 C     -3.7883893400      0.0712176478     -0.0701145022
 C     -3.4490742303     -1.2597322408     -0.0618775577
 C     -2.8314961040     -2.3087570516     -0.0199806741
 C     -1.8003328209     -3.2478392678     -0.0207575521
 C     -0.7113403628     -3.7533319100     -0.0756491874
 C      0.6719277772     -3.7033937537     -0.0946001410
 C      1.8229215241     -3.3004193848     -0.0042653261
 C      2.8721350557     -2.4397592081      0.0153170724
 C      3.3660555686     -1.3078089288     -0.0101475535
 C      3.6458573041      0.0237459339      0.0626233926
 C      3.4822775243      1.2405241541      0.0152507701
 C      2.7817544273      2.4143199300     -0.0421063642
 C      1.8862047858      3.2205150993     -0.1155094138
18
# ORCA AIMD Position Step 25, t=25.00 fs, E_Pot=-685.23568319 Hartree, Unit is Angstrom
 C      0.6279624075      3.7392276955      0.0643832500
 C     -0.5621446194      3.8356505828      0.2267205240
 C     -1.7969667767      3.1654756452      0.1298685180
 C     -2.6827346192      2.3428911932      0.0674619902
 C     -3.5199521122      1.2708211875     -0.0436857144
 C     -3.7895894292      0.0744613199     -0.0737314231
 C     -3.4476863646     -1.2614692676     -0.0648830100
 C     -2.8263738319     -2.3077302162     -0.0212554155
 C     -1.7976752403     -3.2469447275     -0.0235963556
 C     -0.7204108924     -3.7502156099     -0.0793569548
 C      0.6710501907     -3.7099928262     -0.0963562505
 C      1.8247641757     -3.3040736896     -0.0074077419
 C      2.8673850524     -2.4378718394      0.0151583644
 C      3.3663698059     -1.3111288975     -0.0059383513
 C      3.6398329101      0.0206673133      0.0614173328
 C      3.4803495926      1.2389407041      0.0174297963
 C      2.7789537755      2.4179111590     -0.0476301133
 C      1.8856563123      3.2211821486     -0.1143050507
18
# ORCA AIMD Position Step 26, t=26.00 fs, E_Pot=-685.23550459 Hartree, Unit is Angstrom
 C      0.6290662285      3.7464553768      0.0667005482
 C     -0.5591629535      3.8330648450      0.2305710361
 C     -1.7957560303      3.1632681914      0.1427942906
 C     -2.6808754259      2.3457591442      0.0670209036
 C     -3.5108870396      1.2697082154     -0.0434175866
 C     -3.7901837072      0.0779061477     -0.0773363889
 C     -3.4464029325     -1.2629803421     -0.0678857633
 C     -2.8206871213     -2.3071816941     -0.0226164322
 C     -1.7976953524     -3.2443945485     -0.0264878681
 C     -0.7265814912     -3.7475464417     -0.0831664278
 C      0.6700679789     -3.7166210989     -0.0978585229
 C      1.8255548922     -3.3082204947     -0.0108459103
 C      2.8628794367     -2.4345027076      0.0149214207
 C      3.3666464417     -1.3154177859     -0.0013566517
 C      3.6334295128      0.0182975804      0.0599042412
 C      3.4780709091      1.2367547894      0.0195982914
 C      2.7772022093      2.4204089417     -0.0532532793
 C      1.8840245464      3.2227563065     -0.1125723681
18
# ORCA AIMD Position Step 27, t=27.00 fs, E_Pot=-685.23701050 Hartree, Unit is Angstrom
 C      0.6316785033      3.7536051897      0.0687520754
 C     -0.5583873710      3.8292386073      0.2341012617
 C     -1.7931957863      3.1621446158      0.1562012297
 C     -2.6796950973      2.3487314236      0.0664712005
 C     -3.5014116485      1.2677605457     -0.0430644637
 C     -3.7901329440      0.0812617729     -0.0809237619
 C     -3.4452220082     -1.2641676346     -0.0708782444
 C     -2.8146414458     -2.3069223041     -0.0240760189
 C     -1.8007137093     -3.2400833832     -0.0294048156
 C     -0.7292133559     -3.7455789575     -0.0870911348
 C      0.6690287043     -3.7231818600     -0.0991089384
 C      1.8250956028     -3.3129143703     -0.0145754988
 C      2.8584959216     -2.4299817451      0.0146123277
 C      3.3669827352     -1.3203779989      0.0035700806
 C      3.6266751620      0.0166710388      0.0581100402
 C      3.4753751388      1.2340593041      0.0217142069
 C      2.7766009957      2.4216621704     -0.0589346320
 C      1.8813090862      3.2252811040     -0.1103296545
18
# ORCA AIMD Position Step 28, t=28.00 fs, E_Pot=-685.23951137 Hartree, Unit is Angstrom
 C      0.6355807879      3.7606620533      0.0705570922
 C     -0.5596722136      3.8242319125      0.2373250937
 C     -1.7892821032      3.1621391255      0.1699881194
 C     -2.6792185792      2.3517473683      0.0658491900
 C     -3.4915726886      1.2651695950     -0.0426404661
 C     -3.7894184825      0.0841697934     -0.0844782923
 C     -3.4441290731     -1.2649624479     -0.0738454135
 C     -2.8085541335     -2.3066673747     -0.0256425573
 C     -1.8063985140     -3.2342522117     -0.0323382598
 C     -0.7283148068     -3.7443254158     -0.0911055896
 C      0.6679644402     -3.7295815625     -0.1001145482
 C      1.8233689622     -3.3181046731     -0.0185702305
 C      2.8539955692     -2.4248377320      0.0142361061
 C      3.3675388905     -1.3255247632      0.0087991542
 C      3.6196284698      0.0156846199      0.0560708646
 C      3.4722073707      1.2310195400      0.0237247549
 C      2.7770583202      2.4217101719     -0.0646248524
 C      1.8777632604      3.2286056426     -0.1076046162
18
# ORCA AIMD Position Step 29, t=29.00 fs, E_Pot=-685.24163263 Hartree, Unit is Angstrom
 C      0.6402521169      3.7676398902      0.0721770389
 C     -0.5625300449      3.8181554084      0.2402296730
 C     -1.7842397393      3.1631162786      0.1840238443
 C     -2.6793448515      2.3548352419      0.0652031215
 C     -3.4813991555      1.2621989378     -0.0421588395
 C     -3.7880425376      0.0862414697     -0.0879865192
 C     -3.4431086433     -1.2653112288     -0.0767663174
 C     -2.8028136426     -2.3060684193     -0.0273239396
 C     -1.8138022937     -3.2274663777     -0.0353052497
 C     -0.7245266440     -3.7435560861     -0.0951560411
 C      0.6668668868     -3.7357567602     -0.1008926330
 C      1.8205422413     -3.3236486910     -0.0227886889
 C      2.8490595027     -2.4197136065      0.0137937395
 C      3.3685073258     -1.3302757450      0.0142871193
 C      3.6123646446      0.0151080610      0.0538292907
 C      3.4685188082      1.2278684048      0.0255762215
 C      2.7783077238      2.4207698657     -0.0702807362
 C      1.8738495386      3.2324090836     -0.1044302891
18
# ORCA AIMD Position Step 30, t=30.00 fs, E_Pot=-685.24234062 Hartree, Unit is Angstrom
 C      0.6449948433      3.7745728808      0.0737022108
 C     -0.5662390790      3.8111671263      0.2427925858
 C     -1.7784738092      3.1647913854      0.1981685918
 C     -2.6798771539      2.3581110933      0.0645999751
 C     -3.4708991888      1.2591193080     -0.0416278790
 C     -3.7860221419      0.0871335148     -0.0914381217
 C     -3.4421544722     -1.2651615859     -0.0796315164
 C     -2.7978153160     -2.3047707508     -0.0291271165
 C     -1.8216075300     -3.2204842790     -0.0383438674
 C     -0.7189054494     -3.7428855702     -0.0991730328
 C      0.6656880332     -3.7416862316     -0.1014669927
 C      1.8169244714     -3.3293400092     -0.0271854276
 C      2.8433527569     -2.4152413231      0.0132796543
 C      3.3700623402     -1.3340819731      0.0199896280
 C      3.6049587556      0.0146410841      0.0514333118
 C      3.4642676649      1.2248635125      0.0272156194
 C      2.7799772101      2.4191633561     -0.0758570787
 C      1.8701432007      3.2362843247     -0.1008530711
18
# ORCA AIMD Position Step 31, t=31.00 fs, E_Pot=-685.24170335 Hartree, Unit is Angstrom
 C      0.6491001677      3.7814979994      0.0752326152
 C     -0.5699843991      3.8034602858      0.2449930529
 C     -1.7724960143      3.1667999487      0.2122903716
 C     -2.6805799086      2.3617298540      0.0641173266
 C     -3.4600727617      1.2561489422     -0.0410505097
 C     -3.7833674510      0.0866132679     -0.0948283122
 C     -3.4412772932     -1.2644523968     -0.0824402961
 C     -2.7939036894     -2.3024783680     -0.0310602138
 C     -1.8284402375     -3.2140853991     -0.0414997197
 C     -0.7126313844     -3.7418861034     -0.1030913999
 C      0.6643453955     -3.7473869043     -0.1018686608
 C      1.8129028056     -3.3349523337     -0.0317177862
 C      2.8366004921     -2.4119087014      0.0126869480
 C      3.3723108277     -1.3365586590      0.0258700735
 C      3.5974793912      0.0139805760      0.0489301963
 C      3.4594201156      1.2222516842      0.0285944556
 C      2.7816620102      2.4172468391     -0.0813117459
 C      1.8672173189      3.2398157489     -0.0969240075
18
# ORCA AIMD Position Step 32, t=32.00 fs, E_Pot=-685.24070328 Hartree, Unit is Angstrom
 C      0.6519903491      3.7884291473      0.0768551332
 C     -0.5729852531      3.7952497794      0.2468188710
 C     -1.7668618384      3.1687634545      0.2262774803
 C     -2.6812095787      2.3658298385      0.0638339560
 C     -3.4489208492      1.2534132072     -0.0404343405
 C     -3.7800788155      0.0846054282     -0.0981548650
 C     -3.4405100967     -1.2631130169     -0.0851949676
 C     -2.7913154741     -2.2990087646     -0.0331307167
 C     -1.8331364844     -3.2089242437     -0.0448155944
 C     -0.7067733840     -3.7401938268     -0.1068613538
 C      0.6627458244     -3.7529043898     -0.1021314720
 C      1.8088737441     -3.3402678753     -0.0363481978
 C      2.8286500160     -2.4099616098      0.0120103905
 C      3.3752496847     -1.3375797437      0.0318986987
 C      3.5899860263      0.0128891322      0.0463652794
 C      3.4539542398      1.2202293624      0.0296715973
 C      2.7830033614      2.4153547958     -0.0866095305
 C      1.8655280479      3.2426575925     -0.0926867776
18
# ORCA AIMD Position Step 33, t=33.00 fs, E_Pot=-685.24035641 Hartree, Unit is Angstrom
 C      0.6533157449      3.7953385016      0.0786284650
 C     -0.5745977965      3.7867573591      0.2482711639
 C     -1.7620900299      3.1703446956      0.2400316872
 C     -2.6815726260      2.3705051622      0.0638282777
 C     -3.4374731739      1.2509205093     -0.0397904999
 C     -3.7761386452      0.0812276940     -0.1014119230
 C     -3.4399054287     -1.2610776345     -0.0878997419
 C     -2.7901265420     -2.2943501149     -0.0353475293
 C     -1.8349030322     -3.2054259136     -0.0483223343
 C     -0.7021552715     -3.7375551682     -0.1104461244
 C      0.6608122423     -3.7582893924     -0.1022883715
 C      1.8051801412     -3.3451051395     -0.0410429534
 C      2.8195165808     -2.4093627393      0.0112490352
 C      3.3787425444     -1.3373202000      0.0380413375
 C      3.5825296800      0.0112488483      0.0437810566
 C      3.4478696720      1.2189049815      0.0304121364
 C      2.7837253882      2.4137451565     -0.0917101457
 C      1.8653546953      3.2445860187     -0.0881835762
18
# ORCA AIMD Position Step 34, t=34.00 fs, E_Pot=-685.24105699 Hartree, Unit is Angstrom
 C      0.6530061893      3.8021483029      0.0805744211
 C     -0.5743883688      3.7781965034      0.2493653869
 C     -1.7586049082      3.1712878616      0.2534651461
 C     -2.6815473722      2.3757710427      0.0641686294
 C     -3.4258002350      1.2485703174     -0.0391377324
 C     -3.7715185992      0.0768047657     -0.1045864961
 C     -3.4395214687     -1.2583101508     -0.0905605467
 C     -2.7902306145     -2.2886917680     -0.0377125897
 C     -1.8334057145     -3.2037380301     -0.0520314396
 C     -0.6992899222     -3.7338484909     -0.1138232729
 C      0.6585148337     -3.7635792558     -0.1023702177
 C      1.8020600661     -3.3493380644     -0.0457702927
 C      2.8093917755     -2.4098111861      0.0104120772
 C      3.3825248415     -1.3362288352      0.0442528260
 C      3.5751580503      0.0090940353      0.0412190760
 C      3.4411986404      1.2182739152      0.0307867546
 C      2.7836590065      2.4125835598     -0.0965675838
 C      1.8667596193      3.2455256364     -0.0834540473
18
# ORCA AIMD Position Step 35, t=35.00 fs, E_Pot=-685.24240881 Hartree, Unit is Angstrom
 C      0.6512764859      3.8087336364      0.0826761406
 C     -0.5721876084      3.7697455819      0.2501374703
 C     -1.7566770347      3.1714553290      0.2664956445
 C     -2.6810964863      2.3815573589      0.0649036623
 C     -3.4140161721      1.2461790983     -0.0384971557
 C     -3.7661941360      0.0718469816     -0.1076591009
 C     -3.4394059114     -1.2548421818     -0.0931814460
 C     -2.7913527229     -2.2824002665     -0.0402233167
 C     -1.8287876174     -3.2037158994     -0.0559326567
 C     -0.6983490040     -3.7291000207     -0.1169822983
 C      0.6558929464     -3.7687847475     -0.1024052299
 C      1.7996102154     -3.3529131464     -0.0504980408
 C      2.7986192136     -2.4108127758      0.0095213337
 C      3.3862398604     -1.3349461350      0.0504734996
 C      3.5679146165      0.0066106350      0.0387185227
 C      3.4340076602      1.2182122100      0.0307732620
 C      2.7827456657      2.4119427409     -0.1011336433
 C      1.8695916046      3.2455525663     -0.0785341433
18
# ORCA AIMD Position Step 36, t=36.00 fs, E_Pot=-685.24352287 Hartree, Unit is Angstrom
 C      0.6485936221      3.8149448197      0.0848835311
 C     -0.5681169437      3.7615279878      0.2506440334
 C     -1.7563784606      3.1708490149      0.2790618992
 C     -2.6802757150      2.3877015339      0.0660587920
 C     -3.4022598959      1.2435256968     -0.0378928737
 C     -3.7601534886      0.0669970330     -0.1106073197
 C     -3.4395782910     -1.2507985746     -0.0957633084
 C     -2.7931016352     -2.2759553712     -0.0428767280
 C     -1.8216340582     -3.2049574131     -0.0599980629
 C     -0.6991549135     -3.7234774566     -0.1199252645
 C      0.6530612720     -3.7738855552     -0.1024183069
 C      1.7977709225     -3.3558573531     -0.0551973321
 C      2.7876328896     -2.4117842656      0.0086081967
 C      3.3894984425     -1.3341791715      0.0566366722
 C      3.5608318014      0.0040985906      0.0363136426
 C      3.4263923837      1.2184913335      0.0303578043
 C      2.7810306339      2.4118058267     -0.1053659698
 C      1.8735198863      3.2448788856     -0.0734534816
18
# ORCA AIMD Position Step 37, t=37.00 fs, E_Pot=-685.24356729 Hartree, Unit is Angstrom
 C      0.6456089743      3.8206361650      0.0871237195
 C     -0.5625680767      3.7535971096      0.2509641256
 C     -1.7575723227      3.1696011024      0.2911339800
 C     -2.6792348599      2.3939627229      0.0676330410
 C     -3.3906647007      1.2404174043     -0.0373476510
 C     -3.7534049245      0.0629430815     -0.1134118481
 C     -3.4400172500     -1.2464091376     -0.0983072228
 C     -2.7950498864     -2.2698578490     -0.0456701498
 C     -1.8128860669     -3.2068693148     -0.0641861477
 C     -0.7012022870     -3.7172764460     -0.1226695934
 C      0.6501990635     -3.7788355376     -0.1024325455
 C      1.7963454064     -3.3582726254     -0.0598457204
 C      2.7768810569     -2.4121601926      0.0077078129
 C      3.3919416046     -1.3345709262      0.0626792150
 C      3.5539257910      0.0019049792      0.0340314461
 C      3.4184641098      1.2188130870      0.0295343092
 C      2.7786451254      2.4120790929     -0.1092350935
 C      1.8780943540      3.2438209344     -0.0682327277
18
# ORCA AIMD Position Step 38, t=38.00 fs, E_Pot=-685.24227205 Hartree, Unit is Angstrom
 C      0.6430761482      3.8256857627      0.0893136992
 C     -0.5561440232      3.7459331935      0.2511963708
 C     -1.7599388037      3.1679660783      0.3027149668
 C     -2.6782043839      2.4000332207      0.0696036734
 C     -3.3793300687      1.2367447532     -0.0368814190
 C     -3.7459764415      0.0603151306     -0.1160589040
 C     -3.4406619852     -1.2419880911     -0.1008151281
 C     -2.7967992319     -2.2645496439     -0.0486057207
 C     -1.8037216417     -3.2087480255     -0.0684479267
 C     -0.7037232475     -3.7108915057     -0.1252470925
 C      0.6475169994     -3.7835756614     -0.1024682505
 C      1.7950561279     -3.3603032576     -0.0644297672
 C      2.7667517631     -2.4114897930      0.0068559036
 C      3.3932884347     -1.3365856517      0.0685466543
 C      3.5471979063      0.0003323540      0.0318947452
 C      3.4103291789      1.2188725456      0.0282979762
 C      2.7757870529      2.4126082191     -0.1127253950
 C      1.8828071899      3.2427561163     -0.0628834327
18
# ORCA AIMD Position Step 39, t=39.00 fs, E_Pot=-685.24014627 Hartree, Unit is Angstrom
 C      0.6417385612      3.8300100332      0.0913733966
 C     -0.5495545639      3.7384638824      0.2514513598
 C     -1.7630329068      3.1662732934      0.3138353594
 C     -2.6774622528      2.4055719635      0.0719318552
 C     -3.3683073797      1.2325251395     -0.0365071413
 C     -3.7379161498      0.0595898296     -0.1185434821
 C     -3.4414201833     -1.2379014671     -0.1032900954
 C     -2.7980390379     -2.2603550354     -0.0516914097
 C     -1.7953923969     -3.2098794366     -0.0727342458
 C     -0.7058091893     -3.7047640016     -0.1276998642
 C      0.6452306077     -3.7880438837     -0.1025453727
 C      1.7936034741     -3.3621023604     -0.0689429660
 C      2.7575216921     -2.4095009798      0.0060834821
 C      3.3933653587     -1.3404391400      0.0741964062
 C      3.5406367168     -0.0004314376      0.0299235889
 C      3.4020748534      1.2184058838      0.0266438645
 C      2.7726886191      2.4132066215     -0.1158325310
 C      1.8871698489      3.2420719626     -0.0574101396
18
# ORCA AIMD Position Step 40, t=40.00 fs, E_Pot=-685.23822840 Hartree, Unit is Angstrom
 C      0.6422186039      3.8335629049      0.0932398559
 C     -0.5434775279      3.7310953646      0.2518363603
 C     -1.7663686980      3.1648660099      0.3245420202
 C     -2.6772964901      2.4102411034      0.0745700805
 C     -3.3575858209      1.2279428640     -0.0362248263
 C     -3.7292971767      0.0610063265     -0.1208730009
 C     -3.4421783530     -1.2345185338     -0.1057357219
 C     -2.7985722687     -2.2574560972     -0.0549411133
 C     -1.7890334705     -3.2096384027     -0.0770038396
 C     -0.7065973511     -3.6993118174     -0.1300704858
 C      0.6435307025     -3.7921869841     -0.1026836595
 C      1.7917395876     -3.3637975116     -0.0733811629
 C      2.7493200327     -2.4061376375      0.0054101504
 C      3.3921221094     -1.3460619443      0.0795986273
 C      3.5342229400     -0.0003625186      0.0281373249
 C      3.3937628191      1.2172284497      0.0245662126
 C      2.7695777708      2.4136883036     -0.1185609462
 C      1.8907714026      3.2421177377     -0.0518129101
18
# ORCA AIMD Position Step 41, t=41.00 fs, E_Pot=-685.23744258 Hartree, Unit is Angstrom
 C      0.6449032767      3.8363287574      0.0948805191
 C     -0.5384315444      3.7237443991      0.2524403094
 C     -1.7694964795      3.1640481628      0.3348746361
 C     -2.6779499382      2.4137521220      0.0774742114
 C     -3.3471031259      1.2233574635     -0.0360206043
 C     -3.7202206968      0.0645031105     -0.1230658956
 C     -3.4428244112     -1.2321502930     -0.1081555714
 C     -2.7983191682     -2.2558960187     -0.0583705741
 C     -1.7854553285     -3.2075935074     -0.0812303590
 C     -0.7054813534     -3.6948459677     -0.1323895388
 C      0.6425598007     -3.7959690798     -0.1029021460
 C      1.7893252668     -3.3654580358     -0.0777367128
 C      2.7421136724     -2.4015841886      0.0048399906
 C      3.3896357256     -1.3530937759      0.0847320174
 C      3.5279428124      0.0003795939      0.0265586798
 C      3.3854287966      1.2152644156      0.0220584837
 C      2.7666441226      2.4139007929     -0.1209158687
 C      1.8933288559      3.2431567472     -0.0460972364
18
# ORCA AIMD Position Step 42, t=42.00 fs, E_Pot=-685.23789988 Hartree, Unit is Angstrom
 C      0.6498502058      3.8383121231      0.0963030942
 C     -0.5346744026      3.7163712308      0.2533182942
 C     -1.7720776594      3.1640306474      0.3448388590
 C     -2.6795624848      2.4159165516      0.0806162650
 C     -3.3367648693      1.2192862361     -0.0358670986
 C     -3.7108233368      0.0696930627     -0.1251490146
 C     -3.4432665909     -1.2309995215     -0.1105517900
 C     -2.7973106834     -2.2555976213     -0.0619913191
 C     -1.7849651775     -3.2035959347     -0.0854023615
 C     -0.7022978604     -3.6914977585     -0.1346666252
 C      0.6423948313     -3.7993789217     -0.1032194105
 C      1.7863679328     -3.3670739156     -0.0819916032
 C      2.7357128794     -2.3962647994      0.0043606518
 C      3.3861102834     -1.3609072500      0.0895796143
 C      3.5218013457      0.0014646072      0.0252166899
 C      3.3770921308      1.2125586376      0.0191163593
 C      2.7640075494      2.4137595973     -0.1228973520
 C      1.8947265222      3.2453244691     -0.0402863503
18
# ORCA AIMD Position Step 43, t=43.00 fs, E_Pot=-685.23878341 Hartree, Unit is Angstrom
 C      0.6567467196      3.8395341279      0.0975595990
 C     -0.5321566438      3.7089947789      0.2544836499
 C     -1.7739389518      3.1648925392      0.3543954797
 C     -2.6821194346      2.4167000955      0.0839949155
 C     -3.3264668710      1.2163394267     -0.0357251488
 C     -3.7012739620      0.0758973366     -0.1271567489
 C     -3.4434473929     -1.2311257540     -0.1129245887
 C     -2.7956759516     -2.2563826022     -0.0658075219
 C     -1.7872844828     -3.1978184424     -0.0895236225
 C     -0.6974063742     -3.6891860137     -0.1368890774
 C      0.6430302727     -3.8024370351     -0.1036517435
 C      1.7830316476     -3.3685556873     -0.0861174954
 C      2.7297965278     -2.3908037521      0.0039426841
 C      3.3818598569     -1.3686751286      0.0941291723
 C      3.5158240697      0.0024380578      0.0241458514
 C      3.3687614716      1.2092681528      0.0157408253
 C      2.7616982221      2.4132696103     -0.1244976933
 C      1.8950419964      3.2485990330     -0.0344277755
18
# ORCA AIMD Position Step 44, t=44.00 fs, E_Pot=-685.23902082 Hartree, Unit is Angstrom
 C      0.6649571950      3.8400358216      0.0987412984
 C     -0.5305536864      3.7016829807      0.2559118974
 C     -1.7750896775      3.1665716266      0.3634712690
 C     -2.6854337809      2.4162525723      0.0876457381
 C     -3.3161150635      1.2151065410     -0.0355505844
 C     -3.6917455566      0.0822602115     -0.1291294286
 C     -3.4433500840     -1.2324374008     -0.1152754609
 C     -2.7936209392     -2.2580005717     -0.0698187606
 C     -1.7916226990     -3.1907143753     -0.0936132758
 C     -0.6916017683     -3.6876432371     -0.1390301700
 C      0.6443689417     -3.8052007891     -0.1042132516
 C      1.7796104599     -3.3697543779     -0.0900830460
 C      2.7239627862     -2.3859268081      0.0035431656
 C      3.3772612962     -1.3754962973      0.0983787488
 C      3.5100470197      0.0027977147      0.0233808025
 C      3.3604302246      1.2056269438      0.0119369777
 C      2.7596549697      2.4125226095     -0.1257029679
 C      1.8945426189      3.2528046154     -0.0285869590
18
# ORCA AIMD Position Step 45, t=45.00 fs, E_Pot=-685.23815626 Hartree, Unit is Angstrom
 C      0.6736469820      3.8398800404      0.0999646707
 C     -0.5293686180      3.6945304498      0.2575545222
 C     -1.7756930035      3.1688920122      0.3719772620
 C     -2.6891704081      2.4148992722      0.0916421912
 C     -3.3056543710      1.2160196051     -0.0353045331
 C     -3.6823776435      0.0879239557     -0.1311081785
 C     -3.4429957812     -1.2347181427     -0.1176100478
 C     -2.7913997908     -2.2601673187     -0.0740244719
 C     -1.7968834799     -3.1829101368     -0.0977016713
 C     -0.6858981820     -3.6864950164     -0.1410601937
 C      0.6462272924     -3.8077595860     -0.1049161271
 C      1.7764728166     -3.3704954486     -0.0938613012
 C      2.7178141741     -2.3823189351      0.0031140527
 C      3.3726775426     -1.3805554370      0.1023371551
 C      3.5045032668      0.0020834133      0.0229506888
 C      3.3520750791      1.2018895401      0.0077109840
 C      2.7577482555      2.4116709256     -0.1264952022
 C      1.8936421203      3.2576508416     -0.0228366222
18
# ORCA AIMD Position Step 46, t=46.00 fs, E_Pot=-685.23660022 Hartree, Unit is Angstrom
 C      0.6819328988      3.8391492522      0.1013532669
 C     -0.5280754706      3.6876309087      0.2593572148
 C     -1.7759894996      3.1716219619      0.3798233978
 C     -2.6928968140      2.4131037837      0.0960871192
 C     -3.2951092083      1.2192259874     -0.0349667239
 C     -3.6732413965      0.0921975682     -0.1331256122
 C     -3.4424366432     -1.2376641689     -0.1199384774
 C     -2.7892822519     -2.2626033130     -0.0784260415
 C     -1.8019081641     -3.1750804389     -0.1018231482
 C     -0.6812797671     -3.6853556573     -0.1429551923
 C      0.6483480644     -3.8102215218     -0.1057717068
 C      1.7739925560     -3.3706160953     -0.0974336754
 C      2.7110598492     -2.3804761310      0.0026156154
 C      3.3683726525     -1.3832715939      0.1060154011
 C      3.4992135298     -0.0000431461      0.0228767189
 C      3.3436616403      1.1982736194      0.0030677110
 C      2.7558236429      2.4108812105     -0.1268552334
 C      1.8928278732      3.2627940538     -0.0172476554
18
# ORCA AIMD Position Step 47, t=47.00 fs, E_Pot=-685.23516320 Hartree, Unit is Angstrom
 C      0.6890152003      3.8379366703      0.1030203777
 C     -0.5262373520      3.6810603686      0.2612752251
 C     -1.7762191742      3.1745316731      0.3869289256
 C     -2.6961438892      2.4114141000      0.1010965536
 C     -3.2846146351      1.2245111885     -0.0345458503
 C     -3.6643233017      0.0946842868     -0.1351965863
 C     -3.4417443098     -1.2409296134     -0.1222736824
 C     -2.7875227340     -2.2650674845     -0.0830264538
 C     -1.8056727902     -3.1678435127     -0.1060071406
 C     -0.6785119565     -3.6839053122     -0.1447014124
 C      0.6504301769     -3.8126922636     -0.1067916258
 C      1.7724742288     -3.3700043566     -0.1007903013
 C      2.7036058904     -2.3805882298      0.0020310387
 C      3.3644446921     -1.3834120028      0.1094149379
 C      3.4941814834     -0.0037321764      0.0231697673
 C      3.3351578185      1.1949115872     -0.0019881091
 C      2.7537440220      2.4102918916     -0.1267656831
 C      1.8925811876      3.2679001005     -0.0118834637
18
# ORCA AIMD Position Step 48, t=48.00 fs, E_Pot=-685.23439561 Hartree, Unit is Angstrom
 C      0.6942781393      3.8363341283      0.1050552850
 C     -0.5235901203      3.6748693698      0.2632827240
 C     -1.7765519746      3.1774424338      0.3932277833
 C     -2.6984657602      2.4104008321      0.1067798405
 C     -3.2744258304      1.2312967314     -0.0340837787
 C     -3.6555303262      0.0953281653     -0.1373127510
 C     -3.4409993849     -1.2441645106     -0.1246286285
 C     -2.7863286602     -2.2673872835     -0.0878270800
 C     -1.8074233658     -3.1616847393     -0.1102718803
 C     -0.6780283876     -3.6819376539     -0.1462946574
 C      0.6521655329     -3.8152507175     -0.1079878528
 C      1.7720870402     -3.3686331138     -0.1039276991
 C      2.6956022920     -2.3824903721      0.0013755656
 C      3.3608016154     -1.3811355308      0.1125177593
 C      3.4893945690     -0.0089068013      0.0238276103
 C      3.3265488175      1.1918259442     -0.0074463287
 C      2.7514240381      2.4099787780     -0.1262141957
 C      1.8933018693      3.2726972293     -0.0067974341
18
# ORCA AIMD Position Step 49, t=49.00 fs, E_Pot=-685.23429406 Hartree, Unit is Angstrom
 C      0.6973545130      3.8344184723      0.1075128733
 C     -0.5200774847      3.6690828483      0.2653774436
 C     -1.7770484125      3.1802539863      0.3986709272
 C     -2.6994900311      2.4105906816      0.1132213258
 C     -3.2648937956      1.2387296874     -0.0336514439
 C     -3.6467177021      0.0943803096     -0.1394419737
 C     -3.4402812862     -1.2470509749     -0.1270149983
 C     -2.7858307404     -2.2694790099     -0.0928230471
 C     -1.8067604748     -3.1569040204     -0.1146213216
 C     -0.6798870074     -3.6793823027     -0.1477368496
 C      0.6532880242     -3.8179299012     -0.1093722420
 C      1.7728116249     -3.3665863902     -0.1068463789
 C      2.6874356245     -2.3856906479      0.0006973770
 C      3.3571845531     -1.3769629408      0.1152850167
 C      3.4848290051     -0.0152565591      0.0248318495
 C      3.3178484986      1.1889308044     -0.0132845906
 C      2.7488536854      2.4099329088     -0.1251980120
 C      1.8952430682      3.2770182439     -0.0020299089
18
# ORCA AIMD Position Step 50, t=50.00 fs, E_Pot=-685.23444629 Hartree, Unit is Angstrom
 C      0.6981663848      3.8322440615      0.1104094644
 C     -0.5158540303      3.6637017146      0.2675804415
 C     -1.7776412790      3.1829629143      0.4032380080
 C     -2.6989702359      2.4123960330      0.1204640288
 C     -3.2564109305      1.2458173573     -0.0333363492
 C     -3.6377216424      0.0923182117     -0.1415361760
 C     -3.4396521525     -1.2493377449     -0.1294408614
 C     -2.7860748822     -2.2713429909     -0.0980044577
 C     -1.8036810058     -3.1535841345     -0.1190450959
 C     -0.6837660187     -3.6763136259     -0.1490358076
 C      0.6536160354     -3.8207045456     -0.1109549943
 C      1.7744110582     -3.3640740643     -0.1095521187
 C      2.6796645786     -2.3894662211      0.0000700165
 C      3.3532341905     -1.3716777941      0.1176663616
 C      3.4804518997     -0.0222608632      0.0261465839
 C      3.3091003087      1.1860489231     -0.0194655252
 C      2.7460982636      2.4100619097     -0.1237269888
 C      1.8984809333      3.2808161520      0.0023947873
18
# ORCA AIMD Position Step 51, t=51.00 fs, E_Pot=-685.23441100 Hartree, Unit is Angstrom
 C      0.6969294966      3.8298378598      0.1137244858
 C     -0.5112494799      3.6587063781      0.2699356391
 C     -1.7781494045      3.1856612497      0.4069440032
 C     -2.6968301574      2.4160337064      0.1285034623
 C     -3.2493296394      1.2516277662     -0.0332239731
 C     -3.6283894976      0.0897371195     -0.1435408603
 C     -3.4391449814     -1.2508784469     -0.1319132795
 C     -2.7870230042     -2.2730501766     -0.1033598128
 C     -1.7985797580     -3.1515808155     -0.1235242273
 C     -0.6890099666     -3.6729424324     -0.1502049998
 C      0.6530854926     -3.8234943383     -0.1127445231
 C      1.7764527414     -3.3614131559     -0.1120574138
 C      2.6729114132     -2.3930089957     -0.0004218880
 C      3.3485714125     -1.3661850611      0.1196143528
 C      3.4762257930     -0.0292576740      0.0277203523
 C      3.3003658885      1.1829513846     -0.0259409727
 C      2.7432850288      2.4102035982     -0.1218239019
 C      1.9029106876      3.2841658512      0.0064731404
18
# ORCA AIMD Position Step 52, t=52.00 fs, E_Pot=-685.23402638 Hartree, Unit is Angstrom
 C      0.6941093880      3.8272034628      0.1174080206
 C     -0.5067062592      3.6540657452      0.2725043707
 C     -1.7783108846      3.1885198970      0.4098420637
 C     -2.6931859418      2.4214684756      0.1372847014
 C     -3.2438916066      1.2554671824     -0.0333760695
 C     -3.6186044684      0.0872402341     -0.1454067455
 C     -3.4387555605     -1.2516522563     -0.1344400318
 C     -2.7885799758     -2.2747070688     -0.1088808171
 C     -1.7921872696     -3.1505539159     -0.1280358751
 C     -0.6947210125     -3.6695936833     -0.1512641385
 C      0.6517586855     -3.8261784150     -0.1147469224
 C      1.7783764355     -3.3589804414     -0.1143807826
 C      2.6677504694     -2.3955732937     -0.0006971927
 C      3.3428683691     -1.3613634855      0.1210954576
 C      3.4721143593     -0.0355411068      0.0294920693
 C      3.2917120140      1.1794046674     -0.0326580582
 C      2.7405776452      2.4101561398     -0.1195220105
 C      1.9082816957      3.2872392068      0.0102224049
18
# ORCA AIMD Position Step 53, t=53.00 fs, E_Pot=-685.23355074 Hartree, Unit is Angstrom
 C      0.6903384181      3.8243319287      0.1213907285
 C     -0.5027123155      3.6497496250      0.2753590554
 C     -1.7778178793      3.1917668164      0.4120168548
 C     -2.6883430719      2.4283982983      0.1467047489
 C     -3.2401897253      1.2569905902     -0.0338162617
 C     -3.6083012731      0.0853449935     -0.1470955079
 C     -3.4384408148     -1.2517641317     -0.1370311760
 C     -2.7906302974     -2.2764126168     -0.1145625010
 C     -1.7854547735     -3.1500351407     -0.1325590441
 C     -0.6998847230     -3.6666642435     -0.1522365409
 C      0.6498101773     -3.8286158639     -0.1169651581
 C      1.7795884172     -3.3571520471     -0.1165434885
 C      2.6646131170     -2.3966063454     -0.0006935342
 C      3.3359034319     -1.3579279530      0.1220967696
 C      3.4680891805     -0.0404642863      0.0313986651
 C      3.2832024731      1.1752108193     -0.0395638123
 C      2.7381432673      2.4097183136     -0.1168606675
 C      1.9142620586      3.2902588226      0.0136747302
18
# ORCA AIMD Position Step 54, t=54.00 fs, E_Pot=-685.23349653 Hartree, Unit is Angstrom
 C      0.6863219820      3.8212124485      0.1255935942
 C     -0.4997204600      3.6457445533      0.2785716294
 C     -1.7763658808      3.1956524983      0.4135740606
 C     -2.6827660642      2.4362839628      0.1566161176
 C     -3.2381579487      1.2562514156     -0.0345195081
 C     -3.5974795473      0.0844005860     -0.1485848464
 C     -3.4381287338     -1.2514106088     -0.1396987306
 C     -2.7930677456     -2.2782299963     -0.1204004423
 C     -1.7793807391     -3.1495260052     -0.1370773877
 C     -0.7035348656     -3.6645583001     -0.1531449079
 C      0.6474854629     -3.8306706438     -0.1193972477
 C      1.7795774504     -3.3562284922     -0.1185625583
 C      2.6637089087     -2.3958533979     -0.0003795927
 C      3.3275991155     -1.3563200983      0.1226269463
 C      3.4641363549     -0.0435423484      0.0333836687
 C      3.2748909510      1.1702585082     -0.0466068526
 C      2.7361234634      2.4087239433     -0.1138808424
 C      1.9205009736      3.2934444611      0.0168672900
18
# ORCA AIMD Position Step 55, t=55.00 fs, E_Pot=-685.23421232 Hartree, Unit is Angstrom
 C      0.6827355333      3.8178421394      0.1299377599
 C     -0.4980639247      3.6420695758      0.2821979570
 C     -1.7737187317      3.2003990396      0.4146273704
 C     -2.6770135774      2.4444267924      0.1668351857
 C     -3.2375851021      1.2536873325     -0.0354084967
 C     -3.5862127261      0.0845294750     -0.1498721799
 C     -3.4377372086     -1.2508287281     -0.1424547339
 C     -2.7958140010     -2.2801732794     -0.1263867501
 C     -1.7748176265     -3.1486058438     -0.1415780625
 C     -0.7049380153     -3.6636123034     -0.1540079049
 C      0.6450626034     -3.8322323549     -0.1220345087
 C      1.7780154496     -3.3563707624     -0.1204436518
 C      2.6649739463     -2.3934245307      0.0002368928
 C      3.3180475044     -1.3566249763      0.1227145305
 C      3.4602612739     -0.0445479373      0.0354039922
 C      3.2668189359      1.1645651512     -0.0537356474
 C      2.7346118499      2.4070728509     -0.1106243501
 C      1.9266827781      3.2969644836      0.0198334473
18
# ORCA AIMD Position Step 56, t=56.00 fs, E_Pot=-685.23544022 Hartree, Unit is Angstrom
 C      0.6801202715      3.8142272863      0.1343554447
 C     -0.4978731021      3.6387888673      0.2862644729
 C     -1.7697809013      3.2061451743      0.4152817966
 C     -2.6716449916      2.4520929179      0.1771652668
 C     -3.2381513376      1.2500469077     -0.0363624147
 C     -3.5746454218      0.0855937883     -0.1509749326
 C     -3.4371926787     -1.2502402917     -0.1453088351
 C     -2.7988271146     -2.2822057451     -0.1325058249
 C     -1.7722752461     -3.1470377251     -0.1460519720
 C     -0.7037701137     -3.6640104011     -0.1548394280
 C      0.6428075007     -3.8332351677     -0.1248595296
 C      1.7748208404     -3.3575703063     -0.1221790083
 C      2.6680521459     -2.3898238057      0.0011027348
 C      3.3075273445     -1.3585179698      0.1224088671
 C      3.4564892905     -0.0435692386      0.0374360144
 C      3.2590115461      1.1583037449     -0.0609003351
 C      2.7336341575      2.4047543485     -0.1071313268
 C      1.9325747650      3.3008967027      0.0225952294
18
# ORCA AIMD Position Step 57, t=57.00 fs, E_Pot=-685.23629763 Hartree, Unit is Angstrom
 C      0.6788149541      3.8103779000      0.1388013380
 C     -0.4990097800      3.6360163180      0.2907600055
 C     -1.7646704159      3.2128921735      0.4156210697
 C     -2.6671183405      2.4586388097      0.1874279173
 C     -3.2394695460      1.2462889898     -0.0372292592
 C     -3.5629743247      0.0872143687     -0.1519294236
 C     -3.4364461632     -1.2498067860     -0.1482704617
 C     -2.8020859892     -2.2842701141     -0.1387380049
 C     -1.7718132808     -3.1448194655     -0.1504950812
 C     -0.7002172198     -3.6657307400     -0.1556492983
 C      0.6409314708     -3.8336759428     -0.1278497145
 C      1.7701794671     -3.3596471159     -0.1237479244
 C      2.6723201750     -2.3859242341      0.0021214643
 C      3.2964879979     -1.3612797608      0.1217804895
 C      3.4528654074     -0.0410165445      0.0394793199
 C      3.2514660156      1.1518183716     -0.0680613004
 C      2.7331430953      2.4018512944     -0.1034364697
 C      1.9380454187      3.3052148162      0.0251629538
18
# ORCA AIMD Position Step 58, t=58.00 fs, E_Pot=-685.23591334 Hartree, Unit is Angstrom
 C      0.6789258448      3.8063003624      0.1432605466
 C     -0.5010594358      3.6339094133      0.2956390910
 C     -1.7587540789      3.2204774381      0.4156975530
 C     -2.6637034966      2.4636247700      0.1974971473
 C     -3.2411439816      1.2434331620     -0.0378470061
 C     -3.5514102184      0.0888484607     -0.1527861013
 C     -3.4354805568     -1.2496066840     -0.1513499759
 C     -2.8055818033     -2.2863129037     -0.1450654314
 C     -1.7730522526     -3.1421758729     -0.1549089664
 C     -0.6949415946     -3.6685507342     -0.1564486980
 C      0.6395548050     -3.8336199091     -0.1309814757
 C      1.7645133176     -3.3622909565     -0.1251224123
 C      2.6769879122     -2.3828401603      0.0031659990
 C      3.2854844473     -1.3639100011      0.1209158126
 C      3.4494437315     -0.0375556703      0.0415567557
 C      3.2441462591      1.1455889827     -0.0751987617
 C      2.7330256069      2.3985280142     -0.0995646698
 C      1.9430725992      3.3097983504      0.0275372497
18
# ORCA AIMD Position Step 59, t=59.00 fs, E_Pot=-685.23423721 Hartree, Unit is Angstrom
 C      0.6803590568      3.8019977789      0.1477494640
 C     -0.5033891860      3.6326531890      0.3008327702
 C     -1.7526260397      3.2285887371      0.4155330694
 C     -2.6614525372      2.4668571414      0.2073108814
 C     -3.2428278289      1.2423875804     -0.0380633665
 C     -3.5401344136      0.0899299347     -0.1535994615
 C     -3.4343144394     -1.2496233184     -0.1545616974
 C     -2.8093047431     -2.2883109838     -0.1514798382
 C     -1.7753051024     -3.1394881706     -0.1593002771
 C     -0.6889257651     -3.6721122953     -0.1572511396
 C      0.6386831337     -3.8331992243     -0.1342375683
 C      1.7584126498     -3.3651206689     -0.1262720849
 C      2.6812474719     -2.3817234737      0.0041041231
 C      3.2750725736     -1.3653381113      0.1199055096
 C      3.4462820652     -0.0339792766      0.0437073254
 C      3.2369882288      1.1401664918     -0.0823154771
 C      2.7331252530      2.3950023429     -0.0955332104
 C      1.9477224221      3.3144625960      0.0297158969
18
# ORCA AIMD Position Step 60, t=60.00 fs, E_Pot=-685.23227107 Hartree, Unit is Angstrom
 C      0.6828961117      3.7974714349      0.1523073880
 C     -0.5052570195      3.6324407277      0.3062642622
 C     -1.7470319266      3.2368101300      0.4151250306
 C     -2.6602232877      2.4683726366      0.2168653321
 C     -3.2442713887      1.2437980515     -0.0377555693
 C     -3.5292676019      0.0900311102     -0.1544131643
 C     -3.4329914906     -1.2497739778     -0.1579234314
 C     -2.8132274534     -2.2902882295     -0.1579832562
 C     -1.7777826563     -3.1371896185     -0.1636794279
 C     -0.6832550632     -3.6760130763     -0.1580746579
 C      0.6382152033     -3.8325939258     -0.1376093340
 C      1.7525417379     -3.3677517271     -0.1271689091
 C      2.6844434058     -2.3835143820      0.0048270893
 C      3.2656832474     -1.3646887983      0.1188254406
 C      3.4434326425     -0.0310424011      0.0459745822
 C      3.2299194442      1.1360728637     -0.0894307555
 C      2.7332695966      2.3915174332     -0.0913533058
 C      1.9521124020      3.3189962458      0.0316967499
18
# ORCA AIMD Position Step 61, t=61.00 fs, E_Pot=-685.23130363 Hartree, Unit is Angstrom
 C      0.6862827090      3.7927294523      0.1569805630
 C     -0.5059550052      3.6334437983      0.3118623530
 C     -1.7427412302      3.2446943088      0.4144576025
 C     -2.6597482562      2.4683775701      0.2261894883
 C     -3.2453487517      1.2479321067     -0.0368457153
 C     -3.5188568283      0.0889980710     -0.1552462100
 C     -3.4315714672     -1.2499379005     -0.1614542235
 C     -2.8172861060     -2.2923290039     -0.1645823144
 C     -1.7797738377     -3.1356700069     -0.1680547467
 C     -0.6789204092     -3.6798827910     -0.1589408302
 C      0.6379582058     -3.8320083033     -0.1410951986
 C      1.7475531618     -3.3698481395     -0.1277888078
 C      2.6862172545     -2.3887023324      0.0052762381
 C      3.2575098558     -1.3615408191      0.1177156503
 C      3.4409316091     -0.0293086808      0.0483899749
 C      3.2228884113      1.1337006416     -0.0965622723
 C      2.7332965723      2.3883129015     -0.0870370553
 C      1.9563696744      3.3231975976      0.0334805009
18
# ORCA AIMD Position Step 62, t=62.00 fs, E_Pot=-685.23190255 Hartree, Unit is Angstrom
 C      0.6902976689      3.7877976070      0.1618052331
 C     -0.5049530573      3.6357795202      0.3175667548
 C     -1.7404050709      3.2518343379      0.4135133901
 C     -2.6597080024      2.4671811118      0.2353116605
 C     -3.2460624527      1.2546232058     -0.0353107952
 C     -3.5088929011      0.0870169566     -0.1560856884
 C     -3.4301177610     -1.2499895488     -0.1651673949
 C     -2.8213680106     -2.2945660740     -0.1712743742
 C     -1.7807758884     -3.1352072935     -0.1724258295
 C     -0.6766693799     -3.6834354209     -0.1598720765
 C      0.6376641805     -3.8316408261     -0.1446922264
 C      1.7439986564     -3.3711678298     -0.1281153628
 C      2.6865842554     -2.3971729757      0.0054569049
 C      3.2504620507     -1.3560855186      0.1165711802
 C      3.4387910695     -0.0290303543      0.0509543865
 C      3.2158982473      1.1332203243     -0.1037006255
 C      2.7330773074      2.3856053957     -0.0826087930
 C      1.9605893654      3.3269000650      0.0350710419
18
# ORCA AIMD Position Step 63, t=63.00 fs, E_Pot=-685.23351318 Hartree, Unit is Angstrom
 C      0.6947948828      3.7827286170      0.1667940520
 C     -0.5020259346      3.6394762766      0.3233310085
 C     -1.7404150453      3.2579311260      0.4122834164
 C     -2.6597918022      2.4651396935      0.2442391281
 C     -3.2465265547      1.2632933591     -0.0331851518
 C     -3.4993324888      0.0845916963     -0.1568872184
 C     -3.4286851773     -1.2498291634     -0.1690659253
 C     -2.8253143290     -2.2971595662     -0.1780413000
 C     -1.7805766609     -3.1359205392     -0.1767814058
 C     -0.6768993514     -3.6865019769     -0.1608878237
 C      0.6370856721     -3.8316505947     -0.1483919254
 C      1.7422306303     -3.3715998638     -0.1281411727
 C      2.6859092381     -2.4082156682      0.0054351616
 C      3.2442031008     -1.3491130741      0.1153476215
 C      3.4369927205     -0.0300920804      0.0536251820
 C      3.2090259084      1.1345261244     -0.1107918020
 C      2.7325345492      2.3835667403     -0.0781093230
 C      1.9648104459      3.3299974178      0.0364777283
18
# ORCA AIMD Position Step 64, t=64.00 fs, E_Pot=-685.23498176 Hartree, Unit is Angstrom
 C      0.6997192590      3.7775941368      0.1719389278
 C     -0.4973099508      3.6444612107      0.3291330019
 C     -1.7428110004      3.2628538748      0.4107728227
 C     -2.6597450901      2.4626093470      0.2529657988
 C     -3.2469333849      1.2730747844     -0.0305521051
 C     -3.4901110046      0.0824277246     -0.1575862886
 C     -3.4273036312     -1.2494111235     -0.1731462654
 C     -2.8289463309     -2.3002642592     -0.1848563217
 C     -1.7792829988     -3.1377539306     -0.1811064237
 C     -0.6796058500     -3.6890470014     -0.1620053447
 C      0.6360371613     -3.8321284515     -0.1521791787
 C      1.7423193816     -3.3711928474     -0.1278757247
 C      2.6847974654     -2.4207067738      0.0053168069
 C      3.2382499734     -1.3418079616      0.1139803393
 C      3.4354842821     -0.0320457950      0.0563207860
 C      3.2024081405      1.1372470901     -0.1177468784
 C      2.7316545437      2.3823015330     -0.0735892870
 C      1.9690138199      3.3324658501      0.0377173175
18
# ORCA AIMD Position Step 65, t=65.00 fs, E_Pot=-685.23542063 Hartree, Unit is Angstrom
 C      0.7050955056      3.7724735620      0.1772234235
 C     -0.4912671938      3.6505775314      0.3349796304
 C     -1.7472819378      3.2666586155      0.4090003600
 C     -2.6593947821      2.4599055784      0.2614860369
 C     -3.2475089029      1.2829882940     -0.0275244622
 C     -3.4811555635      0.0812727358     -0.1581101717
 C     -3.4259613211     -1.2487538352     -0.1774065553
 C     -2.8321056562     -2.3039883454     -0.1916961089
 C     -1.7772937294     -3.1404960644     -0.1853935545
 C     -0.6844068340     -3.6911716337     -0.1632365734
 C      0.6344383106     -3.8330811982     -0.1560367646
 C      1.7440284166     -3.3701600274     -0.1273470766
 C      2.6839487041     -2.4333836180      0.0052211694
 C      3.2321011291     -1.3354475343      0.1124034309
 C      3.4341880272     -0.0342405488      0.0589368724
 C      3.1962104363      1.1408358228     -0.1244631793
 C      2.7304859308      2.3818371171     -0.0691007376
 C      1.9731353955      3.3343642286      0.0388154428
18
# ORCA AIMD Position Step 66, t=66.00 fs, E_Pot=-685.23470067 Hartree, Unit is Angstrom
 C      0.7109689723      3.7674484957      0.1826336506
 C     -0.4845567411      3.6576224916      0.3408985010
 C     -1.7532461416      3.2695632956      0.4069994956
 C     -2.6586583213      2.4572769914      0.2698004364
 C     -3.2484757971      1.2921012378     -0.0242248221
 C     -3.4724005039      0.0817647663     -0.1583910714
 C     -3.4245988448     -1.2479345307     -0.1818502214
 C     -2.8346955771     -2.3083505593     -0.1985443197
 C     -1.7752201072     -3.1438297248     -0.1896491170
 C     -0.6906302791     -3.6930929116     -0.1645893021
 C      0.6323408778     -3.8344343744     -0.1599470419
 C      1.7468485053     -3.3688507875     -0.1265996134
 C      2.6840260083     -2.4450881595      0.0052593974
 C      3.2253446262     -1.3311273434      0.1105655379
 C      3.4330102587     -0.0359823416      0.0613630269
 C      3.1906007467      1.1446790351     -0.1308385079
 C      2.7291359070      2.3821221375     -0.0646921356
 C      1.9770906898      3.3358210692      0.0398029538
18
# ORCA AIMD Position Step 67, t=67.00 fs, E_Pot=-685.23341019 Hartree, Unit is Angstrom
 C      0.7173455122      3.7626031057      0.1881677668
 C     -0.4778832886      3.6653842619      0.3469205243
 C     -1.7599802123      3.2718885646      0.4048142330
 C     -2.6575373689      2.4548938608      0.2779131788
 C     -3.2500214944      1.2996625832     -0.0207579819
 C     -3.4638029620      0.0843284273     -0.1583791833
 C     -3.4231143105     -1.2470833603     -0.1864860121
 C     -2.8366928212     -2.3132652070     -0.2053923503
 C     -1.7737697758     -3.1473980250     -0.1938895549
 C     -0.6974623889     -3.6950885427     -0.1660680231
 C      0.6299166219     -3.8360561012     -0.1638862690
 C      1.7501009209     -3.3676925688     -0.1256904071
 C      2.6855760768     -2.4549107411      0.0055167334
 C      3.2177121450     -1.3295879065      0.1084347346
 C      3.4318516328     -0.0366991633      0.0634994284
 C      3.1857281898      1.1481970663     -0.1367837396
 C      2.7277469089      2.3830569189     -0.0604061564
 C      1.9808068308      3.3369980215      0.0407117211
18
# ORCA AIMD Position Step 68, t=68.00 fs, E_Pot=-685.23242765 Hartree, Unit is Angstrom
 C      0.7241287044      3.7580260324      0.1938400496
 C     -0.4718708379      3.6736679491      0.3530667485
 C     -1.7667249342      3.2740005299      0.4024979648
 C     -2.6560988475      2.4528520284      0.2858261748
 C     -3.2522746418      1.3051775245     -0.0171998269
 C     -3.4553553860      0.0890936103     -0.1580499380
 C     -3.4213726182     -1.2463389540     -0.1913246126
 C     -2.8381674047     -2.3185250608     -0.2122348672
 C     -1.7736157335     -3.1508757670     -0.1981391133
 C     -0.7040840493     -3.6974530046     -0.1676746479
 C      0.6274192352     -3.8377828522     -0.1678279882
 C      1.7530590462     -3.3671205712     -0.1246794612
 C      2.6889633711     -2.4622714375      0.0060486632
 C      3.2091071899     -1.3311337145      0.1059991083
 C      3.4306133580     -0.0360479411      0.0652659402
 C      3.1817114496      1.1509211481     -0.1422257658
 C      2.7264818662      2.3845085350     -0.0562823731
 C      1.9842448973      3.3380594256      0.0415703304
18
# ORCA AIMD Position Step 69, t=69.00 fs, E_Pot=-685.23229376 Hartree, Unit is Angstrom
 C      0.7310613021      3.7538163394      0.1996829129
 C     -0.4669555348      3.6823082382      0.3593328647
 C     -1.7727815475      3.2762522946      0.4001099922
 C     -2.6544558212      2.4511792490      0.2935293240
 C     -3.2552854953      1.3084602228     -0.0135855718
 C     -3.4470960376      0.0958688560     -0.1574099119
 C     -3.4192258840     -1.2458225522     -0.1963735279
 C     -2.8392745029     -2.3238185402     -0.2190637383
 C     -1.7752511021     -3.1540438114     -0.2024205138
 C     -0.7098316777     -3.7004280076     -0.1694104944
 C      0.6251483918     -3.8394431914     -0.1717394475
 C      1.7550717638     -3.3675067583     -0.1236223122
 C      2.6943185773     -2.4669768723      0.0068718283
 C      3.1996169665     -1.3355954757      0.1032701342
 C      3.4291993098     -0.0339606316      0.0666050577
 C      3.1786342085      1.1525236275     -0.1471044553
 C      2.7255117194      2.3863258416     -0.0523627950
 C      1.9874133862      3.3391482419      0.0424007622
18
# ORCA AIMD Position Step 70, t=70.00 fs, E_Pot=-685.23280317 Hartree, Unit is Angstrom
 C      0.7377293883      3.7500841635      0.2057414247
 C     -0.4633529829      3.6911684882      0.3656838731
 C     -1.7775782566      3.2789335993      0.3977110745
 C     -2.6527378268      2.4498590402      0.3009961291
 C     -3.2590148778      1.3096596758     -0.0099050944
 C     -3.4391136299      0.1041282860     -0.1565016921
 C     -3.4165362053     -1.2456004690     -0.2016315154
 C     -2.8402351624     -2.3287650892     -0.2258638783
 C     -1.7788735014     -3.1568436051     -0.2067470535
 C     -0.7143151425     -3.7041456261     -0.1712786641
 C      0.6233890157     -3.8408841849     -0.1755830719
 C      1.7556831706     -3.3690899617     -0.1225598408
 C      2.7014969081     -2.4692587384      0.0079591822
 C      3.1895102671     -1.3423460429      0.1002838907
 C      3.4275233511     -0.0306502088      0.0674849163
 C      3.1765383755      1.1528520515     -0.1513736056
 C      2.7250008710      2.3883511878     -0.0486939303
 C      1.9903679198      3.3403677769      0.0432172784
18
# ORCA AIMD Position Step 71, t=71.00 fs, E_Pot=-685.23309735 Hartree, Unit is Angstrom
 C      0.7436144337      3.7469436804      0.2120689661
 C     -0.4610679501      3.7001405999      0.3720612652
 C     -1.7807242748      3.2822320154      0.3953569588
 C     -2.6510551857      2.4488620039      0.3081897993
 C     -3.2633401128      1.3092480336     -0.0061012836
 C     -3.4315356650      0.1130489581     -0.1554047675
 C     -3.4131999778     -1.2456550733     -0.2070882644
 C     -2.8413040914     -2.3329700970     -0.2326164076
 C     -1.7843274727     -3.1594058734     -0.2111205014
 C     -0.7174817871     -3.7085951958     -0.1732871567
 C      0.6223494636     -3.8419972943     -0.1793214789
 C      1.7547095690     -3.3719354719     -0.1215128144
 C      2.7100767212     -2.4697825401      0.0092408103
 C      3.1792126224     -1.3503590704      0.0971017462
 C      3.4255183080     -0.0265709886      0.0679008762
 C      3.1754162303      1.1519501296     -0.1550072627
 C      2.7250955262      2.3904280914     -0.0453236067
 C      1.9932000973      3.3417756053      0.0440270642
18
# ORCA AIMD Position Step 72, t=72.00 fs, E_Pot=-685.23235254 Hartree, Unit is Angstrom
 C      0.7481901750      3.7444993178      0.2187218138
 C     -0.4599566396      3.7091476225      0.3783995781
 C     -1.7820293018      3.2862125570      0.3930924466
 C     -2.6494682022      2.4481779030      0.3150745027
 C     -3.2680753834      1.3079653419     -0.0020720043
 C     -3.4245086973      0.1216009370     -0.1542300876
 C     -3.4091581267     -1.2458789428     -0.2127295503
 C     -2.8427259175     -2.3360920498     -0.2393072939
 C     -1.7911617294     -3.1620172968     -0.2155352275
 C     -0.7195830997     -3.7136409037     -0.1754514824
 C      0.6221042076     -3.8427360168     -0.1829268857
 C      1.7522680423     -3.3759330328     -0.1204774776
 C      2.7194121717     -2.4695883061      0.0106123654
 C      3.1692546045     -1.3583232683      0.0938037016
 C      3.4231399523     -0.0223480470      0.0678742166
 C      3.1752106518      1.1500502134     -0.1580036702
 C      2.7259187753      2.3924057678     -0.0422979363
 C      1.9960106882      3.3433970763      0.0448359702
18
# ORCA AIMD Position Step 73, t=73.00 fs, E_Pot=-685.23059982 Hartree, Unit is Angstrom
 C      0.7510226074      3.7428331642      0.2257528705
 C     -0.4597996750      3.7181451340      0.3846423809
 C     -1.7814982201      3.2908190728      0.3909489571
 C     -2.6479636157      2.4478449531      0.3216256110
 C     -3.2730095935      1.3066898442      0.0023159496
 C     -3.4181734735      0.1286967118     -0.1531054073
 C     -3.4044030471     -1.2460802445     -0.2185428239
 C     -2.8446933117     -2.3379001712     -0.2459339122
 C     -1.7987444591     -3.1650595172     -0.2199837255
 C     -0.7210732745     -3.7190655102     -0.1777960838
 C      0.6225576952     -3.8431234441     -0.1863866257
 C      1.7487373297     -3.3808349911     -0.1194284822
 C      2.7287520365     -2.4699307427      0.0119550435
 C      3.1601873892     -1.3648353656      0.0904754852
 C      3.4203694210     -0.0186789235      0.0674459496
 C      3.1758267321      1.1475359217     -0.1603858163
 C      2.7275642028      2.3941514378     -0.0396568379
 C      1.9988793964      3.3452364936      0.0456539232
18
# ORCA AIMD Position Step 74, t=74.00 fs, E_Pot=-685.22892597 Hartree, Unit is Angstrom
 C      0.7518492133      3.7419988524      0.2332023680
 C     -0.4603672856      3.7271174859      0.3907504790
 C     -1.7793032018      3.2958940135      0.3889478296
 C     -2.6464533122      2.4479607681      0.3278320531
 C     -3.2779490669      1.3062450118      0.0071997963
 C     -3.4126405849      0.1333893291     -0.1521515022
 C     -3.3989833499     -1.2459928689     -0.2245198068
 C     -2.8473080859     -2.3383193149     -0.2525061109
 C     -1.8063991392     -3.1689340287     -0.2244604820
 C     -0.7224912891     -3.7246213106     -0.1803525129
 C      0.6234411899     -3.8432517765     -0.1897045496
 C      1.7446896162     -3.3863086225     -0.1183246774
 C      2.7373922558     -2.4720124842      0.0131625129
 C      3.1524762435     -1.3686669779      0.0871891040
 C      3.4172107457     -0.0162347186      0.0666671984
 C      3.1771511601      1.1448805300     -0.1621941426
 C      2.7300871627      2.3955674910     -0.0374306226
 C      2.0018414902      3.3472795502      0.0464978988
18
# ORCA AIMD Position Step 75, t=75.00 fs, E_Pot=-685.22870824 Hartree, Unit is Angstrom
 C      0.7506247205      3.7420173129      0.2410814660
 C     -0.4614814866      3.7360601715      0.3966993732
 C     -1.7757318642      3.3012080808      0.3871065139
 C     -2.6447884133      2.4486772379      0.3336882657
 C     -3.2827455963      1.3072122363      0.0126855432
 C     -3.4079792843      0.1350526791     -0.1514570899
 C     -3.3929998544     -1.2453088251     -0.2306511692
 C     -2.8505531464     -2.3374450485     -0.2590368944
 C     -1.8135443826     -3.1739724407     -0.2289610435
 C     -0.7243220435     -3.7300795049     -0.1831528496
 C      0.6243405829     -3.8432638407     -0.1928944087
 C      1.7407893476     -3.3919930359     -0.1171180921
 C      2.7448127053     -2.4766868789      0.0141622092
 C      3.1464092440     -1.3690388366      0.0839897319
 C      3.4136858248     -0.0155615224      0.0655861245
 C      3.1790760562      1.1425581502     -0.1634717215
 C      2.7334984499      2.3966026624     -0.0356414737
 C      2.0048671184      3.3495004001      0.0473942392
18
# ORCA AIMD Position Step 76, t=76.00 fs, E_Pot=-685.23042512 Hartree, Unit is Angstrom
 C      0.7475442664      3.7428737608      0.2493503171
 C     -0.4630424494      3.7449576084      0.4024682914
 C     -1.7711473928      3.3064892365      0.3854466243
 C     -2.6427955960      2.4501676308      0.3391784338
 C     -3.2873028017      1.3097799995      0.0188093450
 C     -3.4042155817      0.1335414366     -0.1510547510
 C     -3.3866067775     -1.2437200476     -0.2369140704
 C     -2.8542754786     -2.3355484113     -0.2655265927
 C     -1.8197811083     -3.1803635155     -0.2334756651
 C     -0.7269051016     -3.7352554535     -0.1862198103
 C      0.6247629832     -3.8433261484     -0.1959687878
 C      1.7376946338     -3.3975428166     -0.1157649446
 C      2.7507635246     -2.4841978837      0.0149279159
 C      3.1420333548     -1.3658619155      0.0808913649
 C      3.4098335400     -0.0169804270      0.0642369077
 C      3.1815153727      1.1409541106     -0.1642499773
 C      2.7377492816      2.3972651926     -0.0343043369
 C      2.0078553781      3.3518556460      0.0483778825
18
# ORCA AIMD Position Step 77, t=77.00 fs, E_Pot=-685.23315933 Hartree, Unit is Angstrom
 C      0.7430344221      3.7445144331      0.2579137709
 C     -0.4650315511      3.7537785097      0.4080376721
 C     -1.7659465807      3.3114635622      0.3839963684
 C     -2.6403187766      2.4525787163      0.3442724736
 C     -3.2915727401      1.3136936787      0.0255203303
 C     -3.4013300627      0.1292654368     -0.1509063990
 C     -3.3799954379     -1.2409779204     -0.2432712743
 C     -2.8581984247     -2.3330499659     -0.2719593256
 C     -1.8249525075     -3.1881097361     -0.2379903897
 C     -0.7303774700     -3.7400308223     -0.1895600599
 C      0.6242411613     -3.8435923619     -0.1989325655
 C      1.7359351848     -3.4026750239     -0.1142359001
 C      2.7552881123     -2.4940957674      0.0154796654
 C      3.1391423366     -1.3598214665      0.0778799026
 C      3.4057064216     -0.0204965220      0.0626312889
 C      3.1844154914      1.1402830191     -0.1645405867
 C      2.7427233204      2.3976309129     -0.0334214909
 C      2.0106476010      3.3542802789      0.0494893052
18
# ORCA AIMD Position Step 78, t=78.00 fs, E_Pot=-685.23532116 Hartree, Unit is Angstrom
 C      0.7376921824      3.7468533880      0.2666468189
 C     -0.4674947771      3.7624972602      0.4133996544
 C     -1.7605051739      3.3159054749      0.3827862783
 C     -2.6372583798      2.4559871768      0.3489366114
 C     -3.2955458922      1.3183454155      0.0327012635
 C     -3.3992619005      0.1231124343     -0.1509074479
 C     -3.3733505168     -1.2369512542     -0.2496866732
 C     -2.8619781742     -2.3304452207     -0.2783166720
 C     -1.8291648750     -3.1970389261     -0.2424981008
 C     -0.7346632490     -3.7443748537     -0.1931687159
 C      0.6224485917     -3.8441627639     -0.2017820729
 C      1.7357945166     -3.4072264410     -0.1125221428
 C      2.7586703900     -2.5054003313      0.0158709237
 C      3.1373367930     -1.3522144871      0.0749199245
 C      3.4013590360     -0.0257706091      0.0607527756
 C      3.1877620744      1.1405470791     -0.1643350786
 C      2.7482485957      2.3978413518     -0.0329779875
 C      2.0130611394      3.3566884179      0.0507730862
18
# ORCA AIMD Position Step 79, t=79.00 fs, E_Pot=-685.23579953 Hartree, Unit is Angstrom
 C      0.7321839632      3.7497883493      0.2754236167
 C     -0.4705103376      3.7711097945      0.4185623397
 C     -1.7551340888      3.3196686867      0.3818458201
 C     -2.6335979426      2.4603644148      0.3531361542
 C     -3.2992263728      1.3229766360      0.0402111315
 C     -3.3979260493      0.1162635153     -0.1509081535
 C     -3.3668079919     -1.2316872655     -0.2561410435
 C     -2.8652664318     -2.3282123997     -0.2845875727
 C     -1.8327595161     -3.2068474305     -0.2470067595
 C     -0.7395135428     -3.7483439842     -0.1970351623
 C      0.6192817634     -3.8450620045     -0.2045042802
 C      1.7372616076     -3.4111728254     -0.1106370806
 C      2.7613186955     -2.5169111489      0.0161677846
 C      3.1361330662     -1.3446281903      0.0719672094
 C      3.3968430843     -0.0321820031      0.0585602939
 C      3.1915766760      1.1415569837     -0.1636105536
 C      2.7541230379      2.3980881066     -0.0329413020
 C      2.0149206130      3.3589814833      0.0522745756
18
# ORCA AIMD Position Step 80, t=80.00 fs, E_Pot=-685.23458994 Hartree, Unit is Angstrom
 C      0.7271359666      3.7532170216      0.2841367773
 C     -0.4741260152      3.7796366471      0.4235427805
 C     -1.7500578402      3.3226989863      0.3812021492
 C     -2.6294229545      2.4655604967      0.3568348659
 C     -3.3026068596      1.3268701379      0.0479193348
 C     -3.3972340381      0.1099767240     -0.1507413875
 C     -3.3604317619     -1.2254300709     -0.2626370025
 C     -2.8677715838     -2.3267237271     -0.2907701537
 C     -1.8362306539     -3.2171639106     -0.2515386660
 C     -0.7445632753     -3.7520620939     -0.2011467803
 C      0.6148860009     -3.8462312737     -0.2070735108
 C      1.7400354013     -3.4146213394     -0.1086169027
 C      2.7636522260     -2.5274954949      0.0164318417
 C      3.1350712734     -1.3386161952      0.0689816005
 C      3.3922072707     -0.0389501206      0.0559990557
 C      3.1959011946      1.1430095865     -0.1623375764
 C      2.7601374956      2.3985843775     -0.0332661998
 C      2.0160788194      3.3610523121      0.0540366058
18
# ORCA AIMD Position Step 81, t=81.00 fs, E_Pot=-685.23262724 Hartree, Unit is Angstrom
 C      0.7230482063      3.7570491318      0.2927051733
 C     -0.4783137283      3.7881201085      0.4283586418
 C     -1.7454114173      3.3250236820      0.3808805313
 C     -2.6249207814      2.4713123566      0.3599922949
 C     -3.3056475888      1.3294951967      0.0557303297
 C     -3.3971116472      0.1053916400     -0.1502492128
 C     -3.3542053486     -1.2185999918     -0.2691954522
 C     -2.8692981719     -2.3261868308     -0.2968702740
 C     -1.8401218939     -3.2276129705     -0.2561263312
 C     -0.7494113646     -3.7556858297     -0.2054909066
 C      0.6096144347     -3.8475457286     -0.2094529214
 C      1.7436065556     -3.4177727931     -0.1065134330
 C      2.7660149738     -2.5362752914      0.0167089135
 C      3.1337904602     -1.3354476731      0.0659337204
 C      3.3874934180     -0.0452869494      0.0530115946
 C      3.2007794887      1.1445709903     -0.1604848308
 C      2.7660929686      2.3995388254     -0.0339036200
 C      2.0164331832      3.3627874050      0.0560981756
18
# ORCA AIMD Position Step 82, t=82.00 fs, E_Pot=-685.23116815 Hartree, Unit is Angstrom
 C      0.7202327894      3.7612137529      0.3010775539
 C     -0.4829218524      3.7966169377      0.4330197594
 C     -1.7412592840      3.3267299305      0.3809037907
 C     -2.6203633051      2.4772679395      0.3625636479
 C     -3.3082697965      1.3305783596      0.0635928093
 C     -3.3975063913      0.1033995919     -0.1493020667
 C     -3.3480445993     -1.2117402443     -0.2758476706
 C     -2.8697614692     -2.3266246547     -0.3028972315
 C     -1.8449177554     -3.2378726219     -0.2608050513
 C     -0.7537082275     -3.7593651577     -0.2100575853
 C      0.6039622349     -3.8488402530     -0.2115968361
 C      1.7473618972     -3.4208718261     -0.1043872820
 C      2.7686289489     -2.5427033686      0.0170251905
 C      3.1320642151     -1.3359683396      0.0628070361
 C      3.3827335560     -0.0505359722      0.0495498178
 C      3.2062420794      1.1459465868     -0.1580280498
 C      2.7718083430      2.4011402287     -0.0348051640
 C      2.0159322382      3.3640685610      0.0584917069
18
# ORCA AIMD Position Step 83, t=83.00 fs, E_Pot=-685.23111077 Hartree, Unit is Angstrom
 C      0.7187916199      3.7656579148      0.3092239998
 C     -0.4876538919      3.8051844876      0.4375207653
 C     -1.7376204622      3.3279388869      0.3812911625
 C     -2.6160806249      2.4830183345      0.3645016075
 C     -3.3103563640      1.3301292007      0.0714965849
 C     -3.3983892907      0.1045401063     -0.1478166764
 C     -3.3418265037     -1.2054290514     -0.2826206457
 C     -2.8691817974     -2.3278928327     -0.3088574968
 C     -1.8509432275     -3.2477135350     -0.2656024862
 C     -0.7572323897     -3.7632038942     -0.2148374904
 C      0.5984918543     -3.8499354841     -0.2134544754
 C      1.7506897981     -3.4241551462     -0.1023000947
 C      2.7715627365     -2.5465880328      0.0173843242
 C      3.1298201931     -1.3405138020      0.0596003298
 C      3.3779450616     -0.0542748121      0.0455836924
 C      3.2122915893      1.1469259420     -0.1549539181
 C      2.7771272404      2.4035351281     -0.0359267935
 C      2.0145705294      3.3647807143      0.0612410877
18
# ORCA AIMD Position Step 84, t=84.00 fs, E_Pot=-685.23255504 Hartree, Unit is Angstrom
 C      0.7186138089      3.7703497480      0.3171271932
 C     -0.4920830006      3.8138680788      0.4418390997
 C     -1.7345075891      3.3287702172      0.3820561347
 C     -2.6124120568      2.4881596682      0.3657670184
 C     -3.3117707799      1.3283941395      0.0794538196
 C     -3.3997462079      0.1089546395     -0.1457668254
 C     -3.3354222509     -1.2001872039     -0.2895213859
 C     -2.8676774200     -2.3297047780     -0.3147477061
 C     -1.8582756320     -3.2570334195     -0.2705297106
 C     -0.7599589788     -3.7672252612     -0.2198190614
 C      0.5937702778     -3.8506652192     -0.2149747336
 C      1.7530519257     -3.4278219202     -0.1003103271
 C      2.7747430175     -2.5480603122      0.0177712490
 C      3.1271331637     -1.3488944154      0.0563273906
 C      3.3731343387     -0.0563711665      0.0411122047
 C      3.2188921980      1.1474070057     -0.1512701432
 C      2.7819028877      2.4068352286     -0.0372255010
 C      2.0124214164      3.3647945423      0.0643515089
18
# ORCA AIMD Position Step 85, t=85.00 fs, E_Pot=-685.23477643 Hartree, Unit is Angstrom
 C      0.7194257763      3.7752697956      0.3247755692
 C     -0.4957110605      3.8226906339      0.4459401173
 C     -1.7319345129      3.3293248681      0.3832040000
 C     -2.6096599327      2.4923403869      0.3663356905
 C     -3.3123694382      1.3258620093      0.0875020857
 C     -3.4015744861      0.1163148632     -0.1431994194
 C     -3.3287285291     -1.1963697032     -0.2965276354
 C     -2.8654374691     -2.3316945995     -0.3205573558
 C     -1.8667241232     -3.2658609793     -0.2755782168
 C     -0.7620636149     -3.7713684460     -0.2249889677
 C      0.5902836707     -3.8508961537     -0.2161141607
 C      1.7540679825     -3.4319934911     -0.0984639874
 C      2.7779351701     -2.5476129707      0.0181519833
 C      3.1242263224     -1.3603702614      0.0530156730
 C      3.3682942578     -0.0569879288      0.0361624689
 C      3.2259667599      1.1474079506     -0.1470038242
 C      2.7860263316      2.4110776346     -0.0386635621
 C      2.0095993783      3.3640031603      0.0678145865
18
# ORCA AIMD Position Step 86, t=86.00 fs, E_Pot=-685.23667008 Hartree, Unit is Angstrom
 C      0.7208598568      3.7804142068      0.3321667313
 C     -0.4980623591      3.8316550133      0.4497894900
 C     -1.7299242166      3.3296669530      0.3847324338
 C     -2.6080336874      2.4953242041      0.3662081746
 C     -3.3120243811      1.3231998549      0.0957052424
 C     -3.4038777876      0.1258613219     -0.1402335282
 C     -3.3216832883     -1.1941020148     -0.3035920294
 C     -2.8626912277     -2.3334791010     -0.3262769708
 C     -1.8758700078     -3.2743497248     -0.2807278855
 C     -0.7638847040     -3.7755071595     -0.2303368670
 C      0.5883595817     -3.8505484599     -0.2168457157
 C      1.7535612043     -3.4367037386     -0.0967877360
 C      2.7807739165     -2.5460700788      0.0184801994
 C      3.1214393756     -1.3737428451      0.0496986055
 C      3.3634077749     -0.0565295032      0.0307832090
 C      3.2334077864      1.1470656294     -0.1421984060
 C      2.7894401373      2.4162191780     -0.0402091069
 C      2.0062475798      3.3623329012      0.0716120176
18
# ORCA AIMD Position Step 87, t=87.00 fs, E_Pot=-685.23747517 Hartree, Unit is Angstrom
 C      0.7225447496      3.7857928352      0.3393071355
 C     -0.4987823146      3.8407434090      0.4533628272
 C     -1.7285002620      3.3298216837      0.3866340969
 C     -2.6076173503      2.4970231752      0.3654125528
 C     -3.3106382086      1.3211687251      0.1041512983
 C     -3.4066628583      0.1365186197     -0.1370465582
 C     -3.3142742502     -1.1932675358     -0.3106509056
 C     -2.8596667443     -2.3347255985     -0.3319051100
 C     -1.8851654150     -3.2827362228     -0.2859553097
 C     -0.7658303862     -3.7794872573     -0.2358582145
 C      0.5880979094     -3.8496075383     -0.2171638766
 C      1.7515799183     -3.4418983186     -0.0952841186
 C      2.7828060924     -2.5445098852      0.0187054259
 C      3.1191843045     -1.3875181464      0.0464063470
 C      3.3584536714     -0.0555461194      0.0250345579
 C      3.2410914649      1.1466189422     -0.1369068472
 C      2.7921528953      2.4221296620     -0.0418383011
 C      2.0025039780      3.3597592924      0.0757240934
18
# ORCA AIMD Position Step 88, t=88.00 fs, E_Pot=-685.23729395 Hartree, Unit is Angstrom
 C      0.7241813878      3.7914226876      0.3462058433
 C     -0.4977060648      3.8499138043      0.4566492725
 C     -1.7276767300      3.3297798602      0.3888997371
 C     -2.6083588651      2.4975084059      0.3640030404
 C     -3.3081573624      1.3205000559      0.1129355203
 C     -3.4099360271      0.1470828545     -0.1338474439
 C     -3.3065410042     -1.1935471229     -0.3176312724
 C     -2.8565521605     -2.3352062588     -0.3374494003
 C     -1.8940471422     -3.2912802056     -0.2912412311
 C     -0.7682737505     -3.7831622604     -0.2415529889
 C      0.5893363892     -3.8481302592     -0.2170874108
 C      1.7483824850     -3.4474460120     -0.0939329371
 C      2.7835604109     -2.5441098380      0.0187817482
 C      3.1178830062     -1.4001357529      0.0431617026
 C      3.3534153502     -0.0546161872      0.0189778662
 C      3.2488899145      1.1463706345     -0.1311843604
 C      2.7942434170      2.4285930282     -0.0435349749
 C      1.9984725735      3.3563189211      0.0801361591
18
# ORCA AIMD Position Step 89, t=89.00 fs, E_Pot=-685.23701162 Hartree, Unit is Angstrom
 C      0.7255996202      3.7973182226      0.3528654735
 C     -0.4948983482      3.8590950600      0.4596520990
 C     -1.7274400804      3.3295167644      0.3915195026
 C     -2.6100810862      2.4969960233      0.3620579215
 C     -3.3045856320      1.3217472325      0.1221297463
 C     -3.4136955470      0.1564351652     -0.1308403303
 C     -3.2985729738     -1.1944813590     -0.3244557101
 C     -2.8534667749     -2.3348347175     -0.3429249995
 C     -1.9020403429     -3.3002001108     -0.2965723668
 C     -0.7714595897     -3.7864237137     -0.2474205685
 C      0.5916447117     -3.8462427044     -0.2166587549
 C      1.7444046323     -3.4531557414     -0.0926942020
 C      2.7826354299     -2.5459063068      0.0186752300
 C      3.1178915359     -1.4102498902      0.0399763172
 C      3.3482868418     -0.0542397485      0.0126689509
 C      3.2566797586      1.1466315709     -0.1250828831
 C      2.7958537975      2.4353187721     -0.0452895495
 C      1.9942033337      3.3521113012      0.0848419692
18
# ORCA AIMD Position Step 90, t=90.00 fs, E_Pot=-685.23745132 Hartree, Unit is Angstrom
 C      0.7267780751      3.8034834185      0.3592768412
 C     -0.4906545276      3.8681818589      0.4623845105
 C     -1.7277363248      3.3290122074      0.3944828944
 C     -2.6125030001      2.4958274762      0.3596755272
 C     -3.3000023761      1.3251309188      0.1317439180
 C     -3.4179169680      0.1637434889     -0.1281822548
 C     -3.2905026004     -1.1955388172     -0.3310458878
 C     -2.8504479775     -2.3336755516     -0.3483479765
 C     -1.9088296835     -3.3096201575     -0.3019432175
 C     -0.7754531626     -3.7892184009     -0.2534519697
 C      0.5943642740     -3.8441330661     -0.2159428384
 C      1.7402015232     -3.4588013120     -0.0915136078
 C      2.7798024349     -2.5505166689      0.0183720547
 C      3.1194125397     -1.4170205751      0.0368462326
 C      3.3430803492     -0.0547470346      0.0061567014
 C      3.2643468764      1.1476533508     -0.1186529735
 C      2.7971701420      2.4419659187     -0.0470937001
 C      1.9896959980      3.3472901277      0.0898422340
18
# ORCA AIMD Position Step 91, t=91.00 fs, E_Pot=-685.23859326 Hartree, Unit is Angstrom
 C      0.7278419787      3.8099025366      0.3654133163
 C     -0.4854764894      3.8770377329      0.4648675460
 C     -1.7284557438      3.3282735919      0.3977762009
 C     -2.6152725657      2.4944333498      0.3569724249
 C     -3.2945768879      1.3304369384      0.1416953690
 C     -3.4225400488      0.1685939150     -0.1259530861
 C     -3.2824930038     -1.1961762387     -0.3373229741
 C     -2.8474535205     -2.3319332988     -0.3537327262
 C     -1.9143050032     -3.3195333135     -0.3073522535
 C     -0.7801131785     -3.7915582523     -0.2596246551
 C      0.5966896884     -3.8420263399     -0.2150201350
 C      1.7363669199     -3.4641564824     -0.0903323459
 C      2.7750784646     -2.5579366457      0.0178787962
 C      3.1224372537     -1.4203029389      0.0337565045
 C      3.3378268555     -0.0562469216     -0.0005177097
 C      3.2717870056      1.1495736044     -0.1119418399
 C      2.7984038113      2.4481676009     -0.0489396856
 C      1.9849074369      3.3420508321      0.0951420533
18
# ORCA AIMD Position Step 92, t=92.00 fs, E_Pot=-685.23952496 Hartree, Unit is Angstrom
 C      0.7290241639      3.8165418561      0.3712367909
 C     -0.4800038593      3.8855108948      0.4671282065
 C     -1.7294323507      3.3273518323      0.4013833166
 C     -2.6180112153      2.4932867570      0.3540760710
 C     -3.2885703183      1.3370031220      0.1518024169
 C     -3.4274605895      0.1710411512     -0.1241376067
 C     -3.2747126835     -1.1959079865     -0.3432140319
 C     -2.8443790369     -2.3299063729     -0.3590899766
 C     -1.9185715852     -3.3298016704     -0.3128046290
 C     -0.7851190632     -3.7935168560     -0.2659027469
 C      0.5978055925     -3.8401512401     -0.2139778198
 C      1.7334145155     -3.4690454280     -0.0890983795
 C      2.7687547367     -2.5675089036      0.0172200785
 C      3.1267347372     -1.4206640538      0.0306861509
 C      3.3325755909     -0.0586078202     -0.0073194810
 C      3.2789123513      1.1523803948     -0.1049969950
 C      2.7997518172      2.4535819264     -0.0508131436
 C      1.9797878594      3.3365944245      0.1007443467
18
# ORCA AIMD Position Step 93, t=93.00 fs, E_Pot=-685.23931146 Hartree, Unit is Angstrom
 C      0.7305916317      3.8233609517      0.3767105521
 C     -0.4749159149      3.8934525419      0.4691974981
 C     -1.7304511866      3.3263444816      0.4052866479
 C     -2.6203503531      2.4928641005      0.3511154471
 C     -3.2823136081      1.3438398381      0.1618146285
 C     -3.4325428014      0.1715196264     -0.1226394066
 C     -3.2673050111     -1.1943726098     -0.3486587852
 C     -2.8410960933     -2.3279118106     -0.3644294583
 C     -1.9219141028     -3.3401878344     -0.3183131933
 C     -0.7900310878     -3.7952180455     -0.2722448748
 C      0.5970400145     -3.8386964258     -0.2128924374
 C      1.7316638836     -3.4733868106     -0.0877769084
 C      2.7613373242     -2.5781055684      0.0164312567
 C      3.1319112484     -1.4191857289      0.0276097293
 C      3.3273862801     -0.0614905520     -0.0142215891
 C      3.2856550958      1.1559110690     -0.0978639761
 C      2.8013703777      2.4579351510     -0.0526912756
 C      1.9743132816      3.3310907840      0.1066459029
18
# ORCA AIMD Position Step 94, t=94.00 fs, E_Pot=-685.23778715 Hartree, Unit is Angstrom
 C      0.7327646318      3.8303241032      0.3818104637
 C     -0.4708250989      3.9007304451      0.4711056133
 C     -1.7312548848      3.3253990891      0.4094709837
 C     -2.6219879819      2.4935796513      0.3482066082
 C     -3.2761644832      1.3498284891      0.1714591250
 C     -3.4376334950      0.1706898620     -0.1213077168
 C     -3.2603620460     -1.1913789797     -0.3536157485
 C     -2.8374869484     -2.3262110207     -0.3697623721
 C     -1.9247333206     -3.3504001373     -0.3239004391
 C     -0.7943697979     -3.7968156455     -0.2786100776
 C      0.5939895412     -3.8377800784     -0.2118194017
 C      1.7311570485     -3.4772192619     -0.0863591620
 C      2.7534493961     -2.5884082428      0.0155508143
 C      3.1375006201     -1.4171591304      0.0245014429
 C      3.3223230463     -0.0644341140     -0.0212012725
 C      3.2919662819      1.1598955082     -0.0905883078
 C      2.8033458567      2.4610579447     -0.0545376961
 C      1.9685190437      3.3256432234      0.1128337030
18
# ORCA AIMD Position Step 95, t=95.00 fs, E_Pot=-685.23560430 Hartree, Unit is Angstrom
 C      0.7356472943      3.8374092160      0.3865341360
 C     -0.4681843626      3.9072381189      0.4728769069
 C     -1.7315616056      3.3247078570      0.4139244079
 C     -2.6227405294      2.4957102453      0.3454404354
 C     -3.2704464898      1.3539460212      0.1804893962
 C     -3.4425784307      0.1692634704     -0.1199739944
 C     -3.2539058861     -1.1869351815     -0.3580667683
 C     -2.8334731145     -2.3249458172     -0.3751005531
 C     -1.9274718929     -3.3601376215     -0.3295983637
 C     -0.7976980994     -3.7984681173     -0.2849602797
 C      0.5885927022     -3.8374301478     -0.2107823906
 C      1.7316284470     -3.4807053562     -0.0848682079
 C      2.7457198952     -2.5971778812      0.0146133225
 C      3.1430589694     -1.4157835826      0.0213380045
 C      3.3174481370     -0.0669531157     -0.0282368770
 C      3.2978141373      1.1640109295     -0.0832185140
 C      2.8056794113      2.4628944746     -0.0563011295
 C      1.9625165623      3.3202717319      0.1192826968
18
# ORCA AIMD Position Step 96, t=96.00 fs, E_Pot=-685.23377904 Hartree, Unit is Angstrom
 C      0.7391749173      3.8446088235      0.3908997218
 C     -0.4672220082      3.9128983195      0.4745293884
 C     -1.7310916280      3.3244889651      0.4186393233
 C     -2.6225649803      2.4993489500      0.3428723867
 C     -3.2653930027      1.3554423400      0.1887211994
 C     -3.4472434481      0.1678652420     -0.1184883047
 C     -3.2478904849     -1.1812471378     -0.3620097811
 C     -2.8290341852     -2.3241063071     -0.3804554336
 C     -1.9305201343     -3.3691361096     -0.3354406643
 C     -0.7997099275     -3.8003094843     -0.2912670379
 C      0.5811245232     -3.8375918353     -0.2097713171
 C      1.7325625460     -3.4840934474     -0.0833494632
 C      2.7386923804     -2.6034235843      0.0136423501
 C      3.1482278691     -1.4159716625      0.0180970510
 C      3.3128186900     -0.0686365046     -0.0353022590
 C      3.3031768100      1.1679323262     -0.0758040104
 C      2.8082878434      2.4634995087     -0.0579155292
 C      1.9564954734      3.3149119250      0.1259493041
18
# ORCA AIMD Position Step 97, t=97.00 fs, E_Pot=-685.23297189 Hartree, Unit is Angstrom
 C      0.7430959367      3.8519348693      0.3949408516
 C     -0.4679183207      3.9176612303      0.4760642845
 C     -1.7295845475      3.3249568851      0.4236051304
 C     -2.6215722131      2.5043770912      0.3405311389
 C     -3.2611212037      1.3539507266      0.1960470124
 C     -3.4515191499      0.1669455952     -0.1167412412
 C     -3.2422167169     -1.1746853603     -0.3654560968
 C     -2.8242149789     -2.3235382333     -0.3858334165
 C     -1.9341333208     -3.3772030798     -0.3414556503
 C     -0.8003049946     -3.8024200612     -0.2975113528
 C      0.5721367092     -3.8381474058     -0.2087516943
 C      1.7333061403     -3.4876552327     -0.0818626314
 C      2.7327579997     -2.6065029435      0.0126494778
 C      3.1527670648     -1.4182419695      0.0147578156
 C      3.3084880530     -0.0692096505     -0.0423645104
 C      3.3080325533      1.1713646293     -0.0684002743
 C      2.8110160440      2.4630081336     -0.0593018428
 C      1.9507200884      3.3094391791      0.1327825678
18
# ORCA AIMD Position Step 98, t=98.00 fs, E_Pot=-685.23320641 Hartree, Unit is Angstrom
 C      0.7470108957      3.8593921272      0.3986995600
 C     -0.4700143273      3.9215102777      0.4774805029
 C     -1.7268600349      3.3262875050      0.4288068920
 C     -2.6199832781      2.5104852409      0.3384190848
 C     -3.2576077445      1.3495330084      0.2024317334
 C     -3.4553359364      0.1667340538     -0.1146781850
 C     -3.2367613222     -1.1677370013     -0.3684215922
 C     -2.8191159017     -2.3229702000     -0.3912333611
 C     -1.9383835859     -3.3842267834     -0.3476569966
 C     -0.7996305525     -3.8048157478     -0.3036825423
 C      0.5623703219     -3.8389514572     -0.2076768657
 C      1.7332115526     -3.4916217614     -0.0804705033
 C      2.7281056409     -2.6061501638      0.0116356799
 C      3.1565588119     -1.4226936644      0.0113103158
 C      3.3044996182     -0.0685848386     -0.0493719777
 C      3.3123645111      1.1740601978     -0.0610759310
 C      2.8136684764      2.4616171180     -0.0603754696
 C      1.9454796131      3.3037065191      0.1397087749
18
# ORCA AIMD Position Step 99, t=99.00 fs, E_Pot=-685.23387612 Hartree, Unit is Angstrom
 C      0.7504393061      3.8669748531      0.4022163535
 C     -0.4730526747      3.9244669270      0.4787720222
 C     -1.7228615551      3.3285753544      0.4342187296
 C     -2.6180813489      2.5172334312      0.3365257173
 C     -3.2547095935      1.3426597921      0.2079129130
 C     -3.4586612610      0.1672253851     -0.1123052029
 C     -3.2313941428     -1.1609446312     -0.3709284321
 C     -2.8138778250     -2.3220648034     -0.3966441400
 C     -1.9431450819     -3.3901845745     -0.3540416841
 C     -0.7980950110     -3.8074443037     -0.3097795476
 C      0.5526548279     -3.8398587384     -0.2064946791
 C      1.7317583692     -3.4961280942     -0.0792250414
 C      2.7246983670     -2.6025021888      0.0105899701
 C      3.1596098090     -1.4290144502      0.0077477361
 C      3.3008904690     -0.0668562950     -0.0562580454
 C      3.3161589776      1.1758290641     -0.0539088678
 C      2.8160309624      2.4595578059     -0.0610494357
 C      1.9410526319      3.2975744548      0.1466460079
18
# ORCA AIMD Position Step 100, t=100.00 fs, E_Pot=-685.23419250 Hartree, Unit is Angstrom
 C      0.7529173467      3.8746601457      0.4055245543
 C     -0.4764538389      3.9265966926      0.4799339090
 C     -1.7176919664      3.3318036877      0.4398014202
 C     -2.6161404805      2.5241392655      0.3348405760
 C     -3.2521931457      1.3341275143      0.2125927052
 C     -3.4614988038      0.1681911275     -0.1096860024
 C     -3.2260000180     -1.1548208106     -0.3730054660
 C     -2.8086543426     -2.3204820874     -0.4020501536
 C     -1.9481275992     -3.3951329775     -0.3605967741
 C     -0.7963136378     -3.8102024895     -0.3158116350
 C      0.5437899433     -3.8407483567     -0.2051538614
 C      1.7286454159     -3.5011781215     -0.0781569885
 C      2.7222705422     -2.5960942486      0.0094914376
 C      3.1620430462     -1.4365391804      0.0040582943
 C      3.2976928231     -0.0642732283     -0.0629487836
 C      3.3194073664      1.1765555729     -0.0469783644
 C      2.8179050831      2.4570603547     -0.0612424908
 C      1.9376522494      3.2909443229      0.1535217358
18
# ORCA AIMD Position Step 101, t=101.00 fs, E_Pot=-685.23352305 Hartree, Unit is Angstrom
 C      0.7540868977      3.8823970425      0.4086442162
 C     -0.4796011248      3.9280095875      0.4809675882
 C     -1.7116320551      3.3358256143      0.4455073992
 C     -2.6143551676      2.5307799480      0.3333596254
 C     -3.2497736860      1.3249268653      0.2166275438
 C     -3.4638868391      0.1692261209     -0.1069322487
 C     -3.2204915025     -1.1497822546     -0.3746847169
 C     -2.8035839675     -2.3179372854     -0.4074404405
 C     -1.9529508122     -3.3991854479     -0.3673063385
 C     -0.7950015045     -3.8129621077     -0.3218003987
 C      0.5364439533     -3.8415436096     -0.2036166860
 C      1.7238197646     -3.5066454726     -0.0772735802
 C      2.7203626104     -2.5877950516      0.0083171385
 C      3.1640828125     -1.4443424279      0.0002321058
 C      3.2949388185     -0.0611910411     -0.0693766350
 C      3.3221054247      1.1762044779     -0.0403584672
 C      2.8191349437      2.4543287170     -0.0608817264
 C      1.9353814053      3.2837848166      0.1602829059
18
# ORCA AIMD Position Step 102, t=102.00 fs, E_Pot=-685.23186408 Hartree, Unit is Angstrom
 C      0.7537682127      3.8901091097      0.4115809353
 C     -0.4819169277      3.9288522481      0.4818814416
 C     -1.7051175474      3.3403808738      0.4512829236
 C     -2.6128072810      2.5368465717      0.3320933878
 C     -3.2471589123      1.3160986619      0.2201994488
 C     -3.4658875743      0.1698333413     -0.1041797780
 C     -3.2148188513     -1.1461108139     -0.3759985531
 C     -2.7987639199     -2.3142496727     -0.4128094983
 C     -1.9572312685     -3.4024699599     -0.3741595959
 C     -0.7948459915     -3.8156015063     -0.3277777476
 C      0.5310541351     -3.8422203665     -0.2018605212
 C      1.7174658287     -3.5123031560     -0.0765569958
 C      2.7183872435     -2.5786942451      0.0070425253
 C      3.1660268094     -1.4513473354     -0.0037521636
 C      3.2926543039     -0.0580182150     -0.0754842369
 C      3.3242602244      1.1748160368     -0.0341093737
 C      2.8196296207      2.4515027839     -0.0599113371
 C      1.9342060432      3.2761476579      0.1669117351
18
# ORCA AIMD Position Step 103, t=103.00 fs, E_Pot=-685.22978981 Hartree, Unit is Angstrom
 C      0.7519985924      3.8976893209      0.4143230020
 C     -0.4829428632      3.9292911284      0.4826917872
 C     -1.6986871929      3.3451314503      0.4570711200
 C     -2.6114646275      2.5421655080      0.3310681216
 C     -3.2440865203      1.3085834009      0.2234855793
 C     -3.4675665576      0.1695298925     -0.1015620087
 C     -3.2089785267     -1.1439230541     -0.3769741794
 C     -2.7942309014     -2.3093820285     -0.4181617218
 C     -1.9606594091     -3.4050891433     -0.3811552330
 C     -0.7963773011     -3.8180296051     -0.3337758598
 C      0.5277582003     -3.8428114160     -0.1998866859
 C      1.7099687619     -3.5178538115     -0.0759670236
 C      2.7157233827     -2.5699368095      0.0056470229
 C      3.1681957860     -1.4564869416     -0.0079233693
 C      3.2908646022     -0.0551745866     -0.0812305750
 C      3.3258811061      1.1725094862     -0.0282766144
 C      2.8193707084      2.4486399287     -0.0582916587
 C      1.9339539456      3.2681737225      0.1734269839
18
# ORCA AIMD Position Step 104, t=104.00 fs, E_Pot=-685.22812647 Hartree, Unit is Angstrom
 C      0.7490377169      3.9050027823      0.4168428715
 C     -0.4824020596      3.9294895927      0.4834219837
 C     -1.6929079951      3.3497149982      0.4628157486
 C     -2.6102085562      2.5466795224      0.3303239738
 C     -3.2403571463      1.3030907263      0.2266203808
 C     -3.4689684640      0.1679648609     -0.0991771353
 C     -3.2030183712     -1.1431625804     -0.3776296751
 C     -2.7899515980     -2.3034659217     -0.4235105162
 C     -1.9630570645     -3.4070873714     -0.3883026808
 C     -0.7998725482     -3.8202030396     -0.3398153061
 C      0.5263559210     -3.8434075254     -0.1977282008
 C      1.7018753018     -3.5229603934     -0.0754456680
 C      2.7118195692     -2.5625211450      0.0041162301
 C      3.1708642052     -1.4588880473     -0.0123133823
 C      3.2895967922     -0.0530538704     -0.0865880975
 C      3.3269765939      1.1694701593     -0.0228949546
 C      2.8184132244      2.4457070356     -0.0559987722
 C      1.9343339321      3.2600895406      0.1798777501
18
# ORCA AIMD Position Step 105, t=105.00 fs, E_Pot=-685.22737663 Hartree, Unit is Angstrom
 C      0.7453537801      3.9118901060      0.4190985906
 C     -0.4802435520      3.9295894719      0.4841012055
 C     -1.6883036110      3.3537951178      0.4684608859
 C     -2.6088762023      2.5504064040      0.3299080495
 C     -3.2358576936      1.3000057731      0.2296659332
 C     -3.4700982588      0.1650308926     -0.0970612540
 C     -3.1970410439     -1.1436126053     -0.3779715302
 C     -2.7858259793     -2.2968130671     -0.4288749378
 C     -1.9644095904     -3.4084307907     -0.3956157967
 C     -0.8053073137     -3.8221349794     -0.3458936651
 C      0.5263304605     -3.8441484906     -0.1954499971
 C      1.6938497777     -3.5272704580     -0.0749237770
 C      2.7062962825     -2.5571046130      0.0024405624
 C      3.1741800294     -1.4580636336     -0.0169483746
 C      3.2888817897     -0.0519848749     -0.0915384053
 C      3.3275523336      1.1659276502     -0.0179944349
 C      2.8168725003      2.4425952683     -0.0530233804
 C      1.9349739958      3.2521918428      0.1863294700
18
# ORCA AIMD Position Step 106, t=106.00 fs, E_Pot=-685.22737428 Hartree, Unit is Angstrom
 C      0.7415882373      3.9181756278      0.4210374449
 C     -0.4766759565      3.9296911874      0.4847637783
 C     -1.6852728211      3.3571137413      0.4739512545
 C     -2.6073080332      2.5533949477      0.3298684294
 C     -3.2305773161      1.2993442764      0.2325930999
 C     -3.4709081851      0.1609195849     -0.0951740006
 C     -3.1912043959     -1.1449113456     -0.3779942106
 C     -2.7816978957     -2.2899061433     -0.4342750782
 C     -1.9648776369     -3.4090036271     -0.4031067495
 C     -0.8123466793     -3.8238982210     -0.3519760742
 C      0.5269199307     -3.8452065291     -0.1931483383
 C      1.6866076392     -3.5304453272     -0.0743284709
 C      2.6990294594     -2.5538611973      0.0006142796
 C      3.1781001118     -1.4540534027     -0.0218375531
 C      3.2887544590     -0.0521944362     -0.0960669072
 C      3.3276106666      1.1621276000     -0.0136054876
 C      2.8149032134      2.4391469728     -0.0493707713
 C      1.9354705481      3.2448208772      0.1928468219
18
# ORCA AIMD Position Step 107, t=107.00 fs, E_Pot=-685.22750930 Hartree, Unit is Angstrom
 C      0.7384859978      3.9236866189      0.4226043545
 C     -0.4721547243      3.9298429016      0.4854480607
 C     -1.6840245253      3.3595333382      0.4792384133
 C     -2.6053874957      2.5556911971      0.3302450318
 C     -3.2246030633      1.3007737966      0.2352908307
 C     -3.4713019293      0.1561060744     -0.0934029041
 C     -3.1857041769     -1.1465949359     -0.3776824747
 C     -2.7773768038     -2.2833451677     -0.4397328425
 C     -1.9647813165     -3.4086258187     -0.4107858816
 C     -0.8203958259     -3.8256215631     -0.3579992219
 C      0.5272597768     -3.8467576540     -0.1909356762
 C      1.6808063804     -3.5322023924     -0.0735944099
 C      2.6901754264     -2.5524514292     -0.0013687649
 C      3.1823750672     -1.4474510502     -0.0269685978
 C      3.2892502149     -0.0537681875     -0.1001629960
 C      3.3271546137      1.1582936467     -0.0097575908
 C      2.8126657568      2.4351959992     -0.0450562340
 C      1.9354481653      3.2383104215      0.1994815780
18
# ORCA AIMD Position Step 108, t=108.00 fs, E_Pot=-685.22733878 Hartree, Unit is Angstrom
 C      0.7367906965      3.9282762538      0.4237520007
 C     -0.4673055658      3.9300403328      0.4861948806
 C     -1.6845458414      3.3610600283      0.4842894728
 C     -2.6030699266      2.5573133260      0.3310634466
 C     -3.2180936664      1.3037085095      0.2375962761
 C     -3.4711506770      0.1512568481     -0.0915861327
 C     -3.1807421266     -1.1481695200     -0.3770157455
 C     -2.7726700961     -2.2777490844     -0.4452752221
 C     -1.9645459243     -3.4070874599     -0.4186672264
 C     -0.8287066627     -3.8274767471     -0.3638857994
 C      0.5265699579     -3.8489450956     -0.1889181249
 C      1.6769083897     -3.5323612028     -0.0726763821
 C      2.6801211277     -2.5521319573     -0.0035185950
 C      3.1865977956     -1.4392802369     -0.0323110200
 C      3.2904011952     -0.0566283839     -0.1038234929
 C      3.3261913455      1.1545887557     -0.0064743828
 C      2.8102842715      2.4306098908     -0.0400936025
 C      1.9346218686      3.2329289089      0.2062661302
18
# ORCA AIMD Position Step 109, t=109.00 fs, E_Pot=-685.22699298 Hartree, Unit is Angstrom
 C      0.7371184345      3.9318386402      0.4244500438
 C     -0.4627962416      3.9302370036      0.4870432510
 C     -1.6866148414      3.3618374130      0.4890922804
 C     -2.6003936398      2.5582352360      0.3323325456
 C     -3.2112431793      1.3074475023      0.2393311179
 C     -3.4703151148      0.1470980390     -0.0895447847
 C     -3.1764915293     -1.1491987514     -0.3759730440
 C     -2.7674268711     -2.2736370501     -0.4509331151
 C     -1.9646120348     -3.4041969785     -0.4267715303
 C     -0.8365120186     -3.8296528763     -0.3695584653
 C      0.5243294267     -3.8518447220     -0.1871747168
 C      1.6750644674     -3.5308753953     -0.0715600395
 C      2.6693866325     -2.5519557160     -0.0058497789
 C      3.1902911638     -1.4307757626     -0.0378231455
 C      3.2922360245     -0.0605425430     -0.1070522927
 C      3.3247317212      1.1510937805     -0.0037722854
 C      2.8078116421      2.4253260296     -0.0344845996
 C      1.9328449929      3.2288326087      0.2132072103
18
# ORCA AIMD Position Step 110, t=110.00 fs, E_Pot=-685.22700575 Hartree, Unit is Angstrom
 C      0.7398340296      3.9343145711      0.4246916649
 C     -0.4591890912      3.9303612722      0.4880245461
 C     -1.6898457666      3.3621194400      0.4936524274
 C     -2.5974777694      2.5583804224      0.3340443750
 C     -3.2042495972      1.3113077523      0.2403346674
 C     -3.4686658317      0.1442899416     -0.0871175393
 C     -3.1730676690     -1.1493884142     -0.3745398155
 C     -2.7615856258     -2.2713161992     -0.4567327502
 C     -1.9653277242     -3.3998355906     -0.4351188428
 C     -0.8431552311     -3.8323207119     -0.3749489225
 C      0.5203811480     -3.8554415752     -0.1857452045
 C      1.6750619744     -3.5278440426     -0.0702676448
 C      2.6585219014     -2.5509803929     -0.0083763958
 C      3.1929987701     -1.4231575997     -0.0434584543
 C      3.2947772321     -0.0651606126     -0.1098568610
 C      3.3227912096      1.1478101368     -0.0016619604
 C      2.8052123657      2.4193734902     -0.0282146187
 C      1.9301354277      3.2260432290      0.2202785304
18
# ORCA AIMD Position Step 111, t=111.00 fs, E_Pot=-685.22781575 Hartree, Unit is Angstrom
 C      0.7449542235      3.9356936376      0.4244986169
 C     -0.4568176550      3.9303337033      0.4891562955
 C     -1.6937500973      3.3622288899      0.4979859242
 C     -2.5945043512      2.5576327029      0.3361755251
 C     -3.1972937652      1.3147252730      0.2404881047
 C     -3.4660999772      0.1433267351     -0.0841889318
 C     -3.1705101838     -1.1486403836     -0.3727146954
 C     -2.7552145850     -2.2708007550     -0.4626831849
 C     -1.9668462512     -3.3940134761     -0.4437158037
 C     -0.8481951686     -3.8355938464     -0.3800029641
 C      0.5149429196     -3.8596249124     -0.1846286586
 C      1.6763569066     -3.5234989344     -0.0688559018
 C      2.6480258910     -2.5484309075     -0.0111068104
 C      3.1943546100     -1.4174509352     -0.0491686592
 C      3.2980370766     -0.0700737898     -0.1122441969
 C      3.3203906147      1.1446819486     -0.0001496021
 C      2.8023702124      2.4128764817     -0.0212584377
 C      1.9266771505      3.2244479946      0.2274155787
18
# ORCA AIMD Position Step 112, t=112.00 fs, E_Pot=-685.22939658 Hartree, Unit is Angstrom
 C      0.7521094872      3.9360174025      0.4239238194
 C     -0.4557213425      3.9300814745      0.4904382173
 C     -1.6978073724      3.3625056336      0.5021111632
 C     -2.5916825667      2.5558657752      0.3386912507
 C     -3.1905238708      1.3173232167      0.2397313643
 C     -3.4625542164      0.1444619706     -0.0807090729
 C     -3.1687799336     -1.1470569492     -0.3705145290
 C     -2.7485283302     -2.2717843494     -0.4687672581
 C     -1.9690585762     -3.3869130179     -0.4525457079
 C     -0.8514713647     -3.8394983498     -0.3846852983
 C      0.5085322999     -3.8642039825     -0.1837912862
 C      1.6781803732     -3.5181683995     -0.0674056436
 C      2.6382861600     -2.5438042701     -0.0140405057
 C      3.1941284915     -1.4143574661     -0.0549057595
 C      3.3020125578     -0.0748873037     -0.1142197040
 C      3.3175561321      1.1416257311      0.0007643968
 C      2.7991167951      2.4060358002     -0.0135911175
 C      1.9227975459      3.2238180908      0.2345192707
18
# ORCA AIMD Position Step 113, t=113.00 fs, E_Pot=-685.23128201 Hartree, Unit is Angstrom
 C      0.7605911004      3.9353808454      0.4230491122
 C     -0.4556584921      3.9295476461      0.4918524979
 C     -1.7015432965      3.3632492314      0.5060428289
 C     -2.5891983068      2.5529868082      0.3415536094
 C     -3.1840406097      1.3189506436      0.2380722024
 C     -3.4580117245      0.1476643064     -0.0767022540
 C     -3.1677721374     -1.1448911629     -0.3679732678
 C     -2.7418699001     -2.2736801441     -0.4749422021
 C     -1.9715882276     -3.3788968316     -0.4615690908
 C     -0.8531114654     -3.8439644095     -0.3889848568
 C      0.5018364297     -3.8689415333     -0.1831777883
 C      1.6796880150     -3.5122197198     -0.0660066588
 C      2.6295282885     -2.5369286117     -0.0171676038
 C      3.1922517762     -1.4141712049     -0.0606287345
 C      3.3066837534     -0.0792932243     -0.1157892735
 C      3.3143173005      1.1385572665      0.0010884281
 C      2.7952711458      2.3990894038     -0.0051966605
 C      1.9189203234      3.2238429710      0.2414711097
18
# ORCA AIMD Position Step 114, t=114.00 fs, E_Pot=-685.23285588 Hartree, Unit is Angstrom
 C      0.7694742644      3.9339262975      0.4219764305
 C     -0.4561885085      3.9286948569      0.4933682977
 C     -1.7046009675      3.3646643928      0.5097871067
 C     -2.5871593264      2.5489845787      0.3447323507
 C     -3.1778884548      1.3196875478      0.2355851010
 C     -3.4525031361      0.1526136682     -0.0722641022
 C     -3.1673443408     -1.1424624011     -0.3651348032
 C     -2.7356628161     -2.2757215224     -0.4811485992
 C     -1.9738552313     -3.3704710155     -0.4707317046
 C     -0.8534735797     -3.8488429699     -0.3929175211
 C      0.4955721190     -3.8735924721     -0.1827236818
 C      1.6801064205     -3.5059962506     -0.0647428871
 C      2.6217784611     -2.5279857066     -0.0204707463
 C      3.1888261860     -1.4167444635     -0.0663120203
 C      3.3120157638     -0.0831191336     -0.1169615187
 C      3.3107038735      1.1354081263      0.0008414337
 C      2.7906788990      2.3922650548      0.0039281816
 C      1.9155034961      3.2241773849      0.2481541227
18
# ORCA AIMD Position Step 115, t=115.00 fs, E_Pot=-685.23369010 Hartree, Unit is Angstrom
 C      0.7777713176      3.9318299186      0.4208153927
 C     -0.4567867703      3.9275042445      0.4949491344
 C     -1.7067888586      3.3668238988      0.5133368430
 C     -2.5855528250      2.5439691883      0.3482149362
 C     -3.1720588328      1.3198131197      0.2323992525
 C     -3.4461018118      0.1587404041     -0.0675483195
 C     -3.1673477308     -1.1400691481     -0.3620442830
 C     -2.7303492786     -2.2770929005     -0.4873205805
 C     -1.9751834415     -3.3622151063     -0.4799759929
 C     -0.8530470006     -3.8539398859     -0.3965211035
 C      0.4903730509     -3.8779371253     -0.1823671189
 C      1.6788351754     -3.4997683459     -0.0636818697
 C      2.6148523451     -2.5174999902     -0.0239258299
 C      3.1841186575     -1.4215088971     -0.0719492161
 C      3.3179634702     -0.0863365288     -0.1177498210
 C      3.3067421905      1.1321317617      0.0000521853
 C      2.7852436600      2.3857404284      0.0137712592
 C      1.9129770259      3.2244906760      0.2544708773
18
# ORCA AIMD Position Step 116, t=116.00 fs, E_Pot=-685.23378458 Hartree, Unit is Angstrom
 C      0.7845721951      3.9292810609      0.4196714640
 C     -0.4569515529      3.9259721258      0.4965587574
 C     -1.7080926790      3.3696567801      0.5166699227
 C     -2.5842275211      2.5381952029      0.3520116166
 C     -3.1665057290      1.3197388481      0.2286794303
 C     -3.4389170180      0.1653026682     -0.0627460069
 C     -3.1676536414     -1.1379289623     -0.3587411886
 C     -2.7263245080     -2.2770611967     -0.4933955207
 C     -1.9749226923     -3.3546925589     -0.4892493897
 C     -0.8523434859     -3.8590535739     -0.3998467249
 C      0.4867191108     -3.8818031598     -0.1820587683
 C      1.6754929474     -3.4937108111     -0.0628695254
 C      2.6083742475     -2.5062911194     -0.0275011009
 C      3.1785424715     -1.4275501857     -0.0775526632
 C      3.3244751049     -0.0890298150     -0.1181720779
 C      3.3024553760      1.1286994632     -0.0012437914
 C      2.7789463372      2.3796167647      0.0243027181
 C      1.9116880447      3.2245131386      0.2603548623
18
# ORCA AIMD Position Step 117, t=117.00 fs, E_Pot=-685.23364184 Hartree, Unit is Angstrom
 C      0.7891578179      3.9264551517      0.4186356546
 C     -0.4562834144      3.9241058483      0.4981661059
 C     -1.7086501896      3.3729702741      0.5197513021
 C     -2.5829105824      2.5320559405      0.3561536037
 C     -3.1611706741      1.3199189587      0.2246033429
 C     -3.4310829777      0.1714928628     -0.0580608576
 C     -3.1681681503     -1.1361551697     -0.3552561792
 C     -2.7238742613     -2.2750911714     -0.4993208115
 C     -1.9725623456     -3.3483542543     -0.4985082340
 C     -0.8518062968     -3.8640067779     -0.4029477626
 C      0.4848969356     -3.8850800529     -0.1817675025
 C      1.6699227900     -3.4879049139     -0.0623294258
 C      2.6018324916     -2.4953769322     -0.0311564956
 C      3.1726168722     -1.4337364551     -0.0831506017
 C      3.3314940850     -0.0913431967     -0.1182506187
 C      3.2978660668      1.1250937218     -0.0030062079
 C      2.7718521620      2.3739056587      0.0354725795
 C      1.9118542270      3.2240754516      0.2657764352
18
# ORCA AIMD Position Step 118, t=118.00 fs, E_Pot=-685.23405697 Hartree, Unit is Angstrom
 C      0.7910874218      3.9234873405      0.4177746085
 C     -0.4545526167      3.9219183776      0.4997496095
 C     -1.7086964477      3.3764907296      0.5225376303
 C     -2.5812443130      2.5260495969      0.3606859791
 C     -3.1560080902      1.3207570182      0.2203366242
 C     -3.4227458195      0.1765547778     -0.0536802615
 C     -3.1688410249     -1.1347487350     -0.3516100031
 C     -2.7231260564     -2.2709362588     -0.5050584294
 C     -1.9678183563     -3.3434600674     -0.5077200921
 C     -0.8517308292     -3.8686695173     -0.4058679812
 C      0.4849586068     -3.8877305466     -0.1814870819
 C      1.6621890473     -3.4823420369     -0.0620628288
 C      2.5946695450     -2.4858219652     -0.0348461613
 C      3.1668968593     -1.4389061421     -0.0887769722
 C      3.3389614822     -0.0934367761     -0.1180139950
 C      3.2929989480      1.1213140782     -0.0051899128
 C      2.7641168692      2.3685236874      0.0472063414
 C      1.9135192807      3.2231451774      0.2707457969
18
# ORCA AIMD Position Step 119, t=119.00 fs, E_Pot=-685.23565042 Hartree, Unit is Angstrom
 C      0.7902265878      3.9204574899      0.4171276912
 C     -0.4517037512      3.9194309665      0.5012975574
 C     -1.7085145684      3.3799125521      0.5249859614
 C     -2.5788420611      2.5207301593      0.3656551362
 C     -3.1510151451      1.3224971491      0.2160088749
 C     -3.4140486755      0.1799260774     -0.0497448994
 C     -3.1696618132     -1.1336263844     -0.3478191954
 C     -2.7240245493     -2.2646810969     -0.5105877412
 C     -1.9606845598     -3.3400342445     -0.5168596452
 C     -0.8522381126     -3.8729718557     -0.4086349701
 C      0.4867298810     -3.8897927988     -0.1812354718
 C      1.6525447156     -3.4769561375     -0.0620521716
 C      2.5864108242     -2.4785339998     -0.0385235891
 C      3.1618771172     -1.4420917304     -0.0944579699
 C      3.3468144456     -0.0954234692     -0.1174957192
 C      3.2878895154      1.1173616573     -0.0077451751
 C      2.7559772503      2.3633060458      0.0594008455
 C      1.9165412582      3.2218375420      0.2753083807
18
# ORCA AIMD Position Step 120, t=120.00 fs, E_Pot=-685.23831095 Hartree, Unit is Angstrom
 C      0.7867971441      3.9173777875      0.4167028927
 C     -0.4479170642      3.9166661907      0.5028119647
 C     -1.7083444843      3.3829697177      0.5270628671
 C     -2.5753667310      2.5166144334      0.3710931958
 C     -3.1462368625      1.3251801449      0.2117014532
 C     -3.4051157960      0.1813099512     -0.0463330749
 C     -3.1706644865     -1.1326127557     -0.3438926352
 C     -2.7263190057     -2.2567574538     -0.5159089853
 C     -1.9514744111     -3.3378406702     -0.5259103357
 C     -0.8532219906     -3.8769190082     -0.4112507056
 C      0.4897646938     -3.8913961989     -0.1810604842
 C      1.6414482224     -3.4716201096     -0.0622585927
 C      2.5767841676     -2.4740686993     -0.0421507975
 C      3.1578851827     -1.4427202891     -0.1002003406
 C      3.3549847159     -0.0973703708     -0.1167340074
 C      3.2825796245      1.1132692403     -0.0106144975
 C      2.7477520495      2.3579998992      0.0719211958
 C      1.9205826775      3.2204233558      0.2795407351
18
# ORCA AIMD Position Step 121, t=121.00 fs, E_Pot=-685.24108200 Hartree, Unit is Angstrom
 C      0.7813537706      3.9142028683      0.4164793388
 C     -0.4436053461      3.9136456960      0.5043100264
 C     -1.7083324249      3.3854876083      0.5287539533
 C     -2.5705859720      2.5141105579      0.3770094042
 C     -3.1417662917      1.3286147728      0.2074406306
 C     -3.3960395176      0.1807412762     -0.0434479414
 C     -3.1719152406     -1.1314820001     -0.3398363626
 C     -2.7296045335     -2.2478680529     -0.5210470441
 C     -1.9407747046     -3.3364290978     -0.5348664281
 C     -0.8543683179     -3.8805937513     -0.4136906206
 C      0.4933706441     -3.8927606633     -0.1810368967
 C      1.6295258387     -3.4661658349     -0.0626242782
 C      2.5658241033     -2.4724559794     -0.0457086575
 C      3.1549851027     -1.4407797647     -0.1059841422
 C      3.3634049698     -0.0992849868     -0.1157702236
 C      3.2771187767      1.1090941206     -0.0137341576
 C      2.7397947753      2.3523088912      0.0846159466
 C      1.9251685579      3.2192781026      0.2835372041
18
# ORCA AIMD Position Step 122, t=122.00 fs, E_Pot=-685.24275102 Hartree, Unit is Angstrom
 C      0.7747137178      3.9108484013      0.4164132648
 C     -0.4393795908      3.9103898669      0.5058240905
 C     -1.7084924198      3.3874214515      0.5300703344
 C     -2.5644241466      2.5134366182      0.3833834699
 C     -3.1377170340      1.3324384252      0.2032078885
 C     -3.3868746231      0.1785675799     -0.0410235764
 C     -3.1734986458     -1.1300011576     -0.3356555601
 C     -2.7333854332     -2.2388682344     -0.5260516374
 C     -1.9293602876     -3.3352113820     -0.5437385859
 C     -0.8552123678     -3.8841469150     -0.4159099053
 C      0.4966930882     -3.8941800447     -0.1812561821
 C      1.6174989693     -3.4604034504     -0.0630787561
 C      2.5538781492     -2.4731925647     -0.0492019148
 C      3.1529639256     -1.4368101781     -0.1117657123
 C      3.3720176396     -0.1011297515     -0.1146470365
 C      3.2715571579      1.1049140791     -0.0170367976
 C      2.7324379749      2.3459425105      0.0973404777
 C      1.9297733025      3.2188105276      0.2873959837
18
# ORCA AIMD Position Step 123, t=123.00 fs, E_Pot=-685.24273917 Hartree, Unit is Angstrom
 C      0.7678353896      3.9072171095      0.4164466048
 C     -0.4359681446      3.9069194785      0.5073982521
 C     -1.7086946610      3.3888732822      0.5310506415
 C     -2.5569887254      2.5145698898      0.3901618999
 C     -3.1341908048      1.3362191466      0.1989614026
 C     -3.3776451297      0.1753686880     -0.0389428130
 C     -3.1754931876     -1.1279946985     -0.3313573528
 C     -2.7371576957     -2.2306170886     -0.5309897929
 C     -1.9180689166     -3.3335597851     -0.5525547346
 C     -0.8552391351     -3.8877687098     -0.4178586178
 C      0.4988483186     -3.8959835790     -0.1818100075
 C      1.6060761943     -3.4541561636     -0.0635484702
 C      2.5415263514     -2.4753850797     -0.0526570982
 C      3.1514049856     -1.4317365773     -0.1174880550
 C      3.3807793475     -0.1028451232     -0.1134072298
 C      3.2659428502      1.1008181499     -0.0204539097
 C      2.7259274448      2.3386860301      0.1099787701
 C      1.9339289175      3.2193678493      0.2912024740
18
# ORCA AIMD Position Step 124, t=124.00 fs, E_Pot=-685.24153665 Hartree, Unit is Angstrom
 C      0.7616625768      3.9032216988      0.4165213016
 C     -0.4340893902      3.9032615086      0.5090800176
 C     -1.7086844442      3.3900815969      0.5317562673
 C     -2.5485740762      2.5172344694      0.3972593315
 C     -3.1312445342      1.3395714968      0.1946613678
 C     -3.3683586180      0.1718422386     -0.0370615923
 C     -3.1779444959     -1.1254123389     -0.3269646291
 C     -2.7404803819     -2.2238391481     -0.5359281631
 C     -1.9076599436     -3.3309139897     -0.5613513385
 C     -0.8540191095     -3.8916387828     -0.4194962141
 C      0.4990927735     -3.8984807843     -0.1827733471
 C      1.5958275595     -3.4473047338     -0.0639678901
 C      2.5294536108     -2.4779728157     -0.0561131632
 C      3.1498076178     -1.4266195021     -0.1230933022
 C      3.3896611996     -0.1043816021     -0.1120911530
 C      3.2603211636      1.0968948951     -0.0239191178
 C      2.7203675871      2.3304694049      0.1224581342
 C      1.9373164907      3.2211515859      0.2950118445
18
# ORCA AIMD Position Step 125, t=125.00 fs, E_Pot=-685.24025557 Hartree, Unit is Angstrom
 C      0.7569573570      3.8988055206      0.4165940810
 C     -0.4342945243      3.8994572215      0.5109085504
 C     -1.7081255188      3.3913844666      0.5322677802
 C     -2.5396358095      2.5209298594      0.4045583418
 C     -3.1288707432      1.3422484379      0.1902940960
 C     -3.3590250614      0.1686845112     -0.0352347241
 C     -3.1808454503     -1.1223797700     -0.3225273867
 C     -2.7430265209     -2.2190223649     -0.5409138138
 C     -1.8986837725     -3.3268671700     -0.5701621979
 C     -0.8513458865     -3.8958690388     -0.4208108460
 C      0.4969880997     -3.9018994690     -0.1841859979
 C      1.5870648003     -3.4398354516     -0.0642907042
 C      2.5183274300     -2.4799369236     -0.0596122695
 C      3.1477048276     -1.4224221138     -0.1285298469
 C      3.3986429968     -0.1057303880     -0.1107390235
 C      3.2547357887      1.0932193870     -0.0273680066
 C      2.7157014421      2.3214096136      0.1347496647
 C      1.9398155174      3.2241653419      0.2988412599
18
# ORCA AIMD Position Step 126, t=126.00 fs, E_Pot=-685.23968914 Hartree, Unit is Angstrom
 C      0.7541610719      3.8939526222      0.4166427085
 C     -0.4368156707      3.8955718280      0.5129017929
 C     -1.7066713586      3.3931704428      0.5326757373
 C     -2.5307437993      2.5249977163      0.4119155509
 C     -3.1269972403      1.3441916615      0.1858891055
 C     -3.3496700086      0.1664849314     -0.0333462918
 C     -3.1841208355     -1.1192115277     -0.3181179103
 C     -2.7446084813     -2.2163695576     -0.5459588268
 C     -1.8914014558     -3.3212115568     -0.5789911472
 C     -0.8473319848     -3.9004592438     -0.4218449200
 C      0.4925144748     -3.9063305683     -0.1860332926
 C      1.5797772751     -3.4318734902     -0.0645043015
 C      2.5086995098     -2.4804680229     -0.0631880386
 C      3.1447551307     -1.4198377099     -0.1337571325
 C      3.4076979728     -0.1069494571     -0.1093949509
 C      3.2492313476      1.0898482076     -0.0307362892
 C      2.7117215398      2.3118113071      0.1468579542
 C      1.9415138136      3.2282024835      0.3026760703
18
# ORCA AIMD Position Step 127, t=127.00 fs, E_Pot=-685.23976612 Hartree, Unit is Angstrom
 C      0.7533126468      3.8886952100      0.4166689170
 C     -0.4414605166      3.8917038574      0.5150535952
 C     -1.7040760927      3.3957832018      0.5330684448
 C     -2.5224905640      2.5287264985      0.4191771038
 C     -3.1254881015      1.3455488939      0.1815204239
 C     -3.3403428389      0.1656425738     -0.0313273405
 C     -3.1876330417     -1.1163645507     -0.3138452840
 C     -2.7451811700     -2.2158084290     -0.5510353598
 C     -1.8857653648     -3.3139693138     -0.5877947342
 C     -0.8424378963     -3.9052760663     -0.4226922761
 C      0.4860896087     -3.9117064726     -0.1882394785
 C      1.5736530552     -3.4236727243     -0.0646383408
 C      2.5009337866     -2.4790629093     -0.0668523774
 C      3.1407945808     -1.4191969674     -0.1387482426
 C      3.4167881124     -0.1081664342     -0.1081025503
 C      3.2438569504      1.0868050338     -0.0339656834
 C      2.7081288675      2.3021182735      0.1588029455
 C      1.9426533064      3.2328981439      0.3064828162
18
# ORCA AIMD Position Step 128, t=128.00 fs, E_Pot=-685.23985464 Hartree, Unit is Angstrom
 C      0.7540732831      3.8831026895      0.4167135225
 C     -0.4476162855      3.8879847312      0.5173261650
 C     -1.7002787833      3.3994329983      0.5335116084
 C     -2.5153931599      2.5314911074      0.4262015418
 C     -3.1241664464      1.3466421650      0.1773010099
 C     -3.3311094851      0.1663033921     -0.0291580320
 C     -3.1912096467     -1.1143425484     -0.3098328832
 C     -2.7448146743     -2.2170408302     -0.5560794250
 C     -1.8814787706     -3.3053648800     -0.5964990876
 C     -0.8374076797     -3.9100795529     -0.4234923503
 C      0.4784900167     -3.9178352728     -0.1906863686
 C      1.5681801941     -3.4155598329     -0.0647423736
 C      2.4951609169     -2.4755729382     -0.0706057009
 C      3.1358544248     -1.4204344467     -0.1434869477
 C      3.4258562185     -0.1095648286     -0.1069028474
 C      3.2386666100      1.0840770917     -0.0370041972
 C      2.7045862308      2.2928390108      0.1706054828
 C      1.9435642102      3.2377965610      0.3102126394
18
# ORCA AIMD Position Step 129, t=129.00 fs, E_Pot=-685.23920496 Hartree, Unit is Angstrom
 C      0.7558388455      3.8772718468      0.4168388675
 C     -0.4543486850      3.8845744800      0.5196657357
 C     -1.6954858144      3.4041205470      0.5340422179
 C     -2.5097853347      2.5328737171      0.4328801496
 C     -3.1228379312      1.3479151048      0.1733622558
 C     -3.3220464628      0.1683405348     -0.0268692894
 C     -3.1946751368     -1.1135919314     -0.3061982051
 C     -2.7436618731     -2.2196273773     -0.5610045580
 C     -1.8780938119     -3.2957654693     -0.6050151978
 C     -0.8331380080     -3.9145717351     -0.4244116469
 C      0.4706898750     -3.9244452230     -0.1932279573
 C      1.5627929920     -3.4078623304     -0.0648822077
 C      2.4912507130     -2.4702162226     -0.0744311701
 C      3.1301579105     -1.4231145922     -0.1479764454
 C      3.4348300433     -0.1113437055     -0.1058314924
 C      3.2337130421      1.0816070275     -0.0398083443
 C      2.7007943409      2.2844474122      0.1822812029
 C      1.9445827594      3.2424384919      0.3138201330
18
# ORCA AIMD Position Step 130, t=130.00 fs, E_Pot=-685.23752679 Hartree, Unit is Angstrom
 C      0.7579113901      3.8713126156      0.4171172910
 C     -0.4605696328      3.8816520948      0.5220120459
 C     -1.6901790222      3.4096151339      0.5346684797
 C     -2.5057673384      2.5327292978      0.4391490060
 C     -3.1213216581      1.3498436808      0.1698348407
 C     -3.3132254458      0.1713891318     -0.0245347851
 C     -3.1978731952     -1.1144147476     -0.3030303698
 C     -2.7419311171     -2.2230619410     -0.5657219607
 C     -1.8751113427     -3.2856153836     -0.6132561727
 C     -0.8305216624     -3.9184515287     -0.4256207746
 C      0.4636720209     -3.9312494862     -0.1957201540
 C      1.5570037491     -3.4008355249     -0.0651218093
 C      2.4888278932     -2.4635473533     -0.0782972373
 C      3.1240874429     -1.4265097230     -0.1522384197
 C      3.4436263741     -0.1136666188     -0.1049190247
 C      3.2290405012      1.0792966349     -0.0423438744
 C      2.6965363779      2.2773082376      0.1938352131
 C      1.9459905667      3.2464310224      0.3172765615
18
# ORCA AIMD Position Step 131, t=131.00 fs, E_Pot=-685.23518347 Hartree, Unit is Angstrom
 C      0.7596583127      3.8653300857      0.4176167815
 C     -0.4652177281      3.8793958329      0.5243097768
 C     -1.6850519829      3.4154947094      0.5353773201
 C     -2.5032107438      2.5311921782      0.4449890887
 C     -3.1194798562      1.3528393814      0.1668290143
 C     -3.3047037334      0.1749330988     -0.0222558783
 C     -3.2006840846     -1.1169252906     -0.3003781823
 C     -2.7398576248     -2.2268389031     -0.5701487994
 C     -1.8720591189     -3.2753595097     -0.6211542904
 C     -0.8302972598     -3.9214673073     -0.4272719248
 C      0.4582485899     -3.9379986575     -0.1980410510
 C      1.5504858487     -3.3946227872     -0.0655170017
 C      2.4873314520     -2.4563728797     -0.0821657172
 C      3.1181325975     -1.4297279501     -0.1563092383
 C      3.4521599009     -0.1166111135     -0.1041886525
 C      3.2246841690      1.0770121957     -0.0445781148
 C      2.6917061167      2.2716229189      0.2052584201
 C      1.9479668715      3.2495020025      0.3205731627
18
# ORCA AIMD Position Step 132, t=132.00 fs, E_Pot=-685.23303594 Hartree, Unit is Angstrom
 C      0.7606277198      3.8594144603      0.4183900839
 C     -0.4674226889      3.8779619586      0.5265186989
 C     -1.6808866111      3.4212339910      0.5361446496
 C     -2.5018076061      2.5286264302      0.4504205030
 C     -3.1172397048      1.3571485492      0.1644152646
 C     -3.2965179297      0.1784268569     -0.0201386130
 C     -3.2030288985     -1.1210582819     -0.2982500590
 C     -2.7376818363     -2.2304980633     -0.5742194403
 C     -1.8685595612     -3.2653995367     -0.6286715225
 C     -0.8329228867     -3.9234494984     -0.4294749781
 C      0.4549349071     -3.9445150689     -0.2001126032
 C      1.5430988136     -3.3892534324     -0.0661083217
 C      2.4861156329     -2.4496048654     -0.0859941532
 C      3.1128119823     -1.4318639526     -0.1602340101
 C      3.4603464289     -0.1201336184     -0.1036574346
 C      3.2206703657      1.0745976459     -0.0464776615
 C      2.6863150258      2.2674134860      0.2165235862
 C      1.9505706306      3.2515190994      0.3237265583
18
# ORCA AIMD Position Step 133, t=133.00 fs, E_Pot=-685.23191985 Hartree, Unit is Angstrom
 C      0.7606075037      3.8536378960      0.4194695908
 C     -0.4666345095      3.8774574419      0.5286171764
 C     -1.6784036356      3.4263119831      0.5369455464
 C     -2.5011441812      2.5255518140      0.4554902604
 C     -3.1146104028      1.3627651559      0.1626123154
 C     -3.2886835421      0.1814232974     -0.0182723018
 C     -3.2048677794     -1.1266013510     -0.2966232331
 C     -2.7356339121     -2.2336535325     -0.5778905881
 C     -1.8643711138     -3.2560653685     -0.6357980772
 C     -0.8384983020     -3.9243298919     -0.4322776821
 C      0.4538824417     -3.9507041899     -0.2019101455
 C      1.5348772615     -3.3846645302     -0.0669199745
 C      2.4845796405     -2.4440803321     -0.0897426993
 C      3.1085763008     -1.4321811747     -0.1640574542
 C      3.4681064644     -0.1240538313     -0.1033348495
 C      3.2170194764      1.0718948817     -0.0480027998
 C      2.6804862216      2.2645325933      0.2275795841
 C      1.9537425220      3.2524873274      0.3267709521
18
# ORCA AIMD Position Step 134, t=134.00 fs, E_Pot=-685.23201618 Hartree, Unit is Angstrom
 C      0.7596509217      3.8480551456      0.4208632235
 C     -0.4627420871      3.8779159728      0.5306037833
 C     -1.6781028209      3.4303150144      0.5377612427
 C     -2.5007785583      2.5225617952      0.4602586504
 C     -3.1116887557      1.3693880250      0.1613830566
 C     -3.2812017005      0.1836456113     -0.0167184096
 C     -3.2061958250     -1.1332187988     -0.2954494188
 C     -2.7339155526     -2.2360166044     -0.5811403524
 C     -1.8594270701     -3.2475837920     -0.6425499872
 C     -0.8467279633     -3.9241579670     -0.4356569503
 C      0.4548601766     -3.9565569074     -0.2034630031
 C      1.5260193455     -3.3807229093     -0.0679584732
 C      2.4822876168     -2.4403929626     -0.0933794913
 C      3.1057142847     -1.4302739646     -0.1678103922
 C      3.4753656243     -0.1280695885     -0.1032227151
 C      3.2137504739      1.0687706691     -0.0491053705
 C      2.6744443675      2.2626857189      0.2383440497
 C      1.9573179511      3.2525391145      0.3297505755
18
# ORCA AIMD Position Step 135, t=135.00 fs, E_Pot=-685.23257161 Hartree, Unit is Angstrom
 C      0.7580765052      3.8427028089      0.4225530905
 C     -0.4561209308      3.8792882389      0.5324962571
 C     -1.6801593092      3.4330124043      0.5385842602
 C     -2.5003099670      2.5202388994      0.4647889035
 C     -3.1086506386      1.3764374574      0.1606383906
 C     -3.2740640557      0.1850231620     -0.0155039327
 C     -3.2070436652     -1.1404792808     -0.2946604509
 C     -2.7326762023     -2.2374219079     -0.5839705419
 C     -1.8538648311     -3.2400467519     -0.6489696237
 C     -0.8569413097     -3.9231136304     -0.4395170734
 C      0.4573014279     -3.9621439506     -0.2048473479
 C      1.5168528596     -3.3772501810     -0.0692122599
 C      2.4790660470     -2.4387502988     -0.0968873719
 C      3.1042749493     -1.4261957339     -0.1715015969
 C      3.4820623462     -0.1317921927     -0.1033156586
 C      3.2108772415      1.0651493991     -0.0497297829
 C      2.6684909260      2.2614673177      0.2487059288
 C      1.9610508666      3.2519069236      0.3327132698
18
# ORCA AIMD Position Step 136, t=136.00 fs, E_Pot=-685.23232266 Hartree, Unit is Angstrom
 C      0.7564222208      3.8375998394      0.4244992467
 C     -0.4476020933      3.8814519987      0.5343325364
 C     -1.6843864981      3.4343986793      0.5394226171
 C     -2.4994389392      2.5190651220      0.4691406423
 C     -3.1057185822      1.3831477940      0.1602526579
 C     -3.2672514706      0.1856726809     -0.0146233881
 C     -3.2074786483     -1.1478883836     -0.2941703278
 C     -2.7319954237     -2.2378444564     -0.5864136073
 C     -1.8480210369     -3.2333880706     -0.6551309916
 C     -0.8681841743     -3.9215043876     -0.4437039782
 C      0.4604105680     -3.9676058114     -0.2061714326
 C      1.5077771263     -3.3740440433     -0.0706558452
 C      2.4750299536     -2.4389294816     -0.1002723494
 C      3.1040476684     -1.4204731237     -0.1751191691
 C      3.4881648652     -0.1348051281     -0.1036013804
 C      3.2084009006      1.0610374039     -0.0498154091
 C      2.6629637840      2.2604068088      0.2585455271
 C      1.9646649098      3.2508790846      0.3357051316
18
# ORCA AIMD Position Step 137, t=137.00 fs, E_Pot=-685.23041378 Hartree, Unit is Angstrom
 C      0.7553671041      3.8327453273      0.4266488024
 C     -0.4383350688      3.8842437936      0.5361669309
 C     -1.6902762417      3.4346992839      0.5403008630
 C     -2.4980251729      2.5193303733      0.4733615319
 C     -3.1031135529      1.3887218012      0.1600912433
 C     -3.2607339967      0.1858219676     -0.0140487502
 C     -3.2076048261     -1.1549202074     -0.2938770298
 C     -2.7318706652     -2.2374010371     -0.5885344886
 C     -1.8423935689     -3.2273831977     -0.6611445005
 C     -0.8793584803     -3.9197389873     -0.4480311107
 C      0.4633120567     -3.9731311455     -0.2075559979
 C      1.4991914308     -3.3709001438     -0.0722580498
 C      2.4705204309     -2.4403652005     -0.1035635087
 C      3.1046204030     -1.4139761036     -0.1786412353
 C      3.4936828499     -0.1367438762     -0.1040646254
 C      3.2063011539      1.0565376414     -0.0493000411
 C      2.6581884252      2.2590287833      0.2677592147
 C      1.9679059909      3.2497457806      0.3387699113
18
# ORCA AIMD Position Step 138, t=138.00 fs, E_Pot=-685.22708989 Hartree, Unit is Angstrom
 C      0.7556109345      3.8281237221      0.4289493859
 C     -0.4295744050      3.8875005126      0.5380632678
 C     -1.6970999654      3.4343355167      0.5412606007
 C     -2.4961242929      2.5210702189      0.4774755159
 C     -3.1010053539      1.3924843850      0.1600416704
 C     -3.2544756265      0.1857207292     -0.0137443898
 C     -3.2075523674     -1.1610526753     -0.2936686451
 C     -2.7322297974     -2.2363185172     -0.5904247451
 C     -1.8375566936     -3.2216966552     -0.6671480255
 C     -0.8893858043     -3.9182732566     -0.4523119972
 C      0.4652053454     -3.9789169162     -0.2091148591
 C      1.4914184623     -3.3676436221     -0.0739932828
 C      2.4659896754     -2.4423227745     -0.1068063345
 C      3.1054922751     -1.4077052939     -0.1820474278
 C      3.4986663633     -0.1373608807     -0.1046933547
 C      3.2045349160      1.0518458385     -0.0481190818
 C      2.6544313577      2.2569186916      0.2762759960
 C      1.9705954913      3.2487365090      0.3419473052
18
# ORCA AIMD Position Step 139, t=139.00 fs, E_Pot=-685.22356512 Hartree, Unit is Angstrom
 C      0.7577049568      3.8237222301      0.4313674340
 C     -0.4224364440      3.8910843340      0.5400821733
 C     -1.7040216239      3.4338708106      0.5423561181
 C     -2.4939846680      2.5240565589      0.4814774765
 C     -3.0994828171      1.3939906855      0.1600377155
 C     -3.2484391735      0.1855569697     -0.0136811368
 C     -3.2074647843     -1.1657956632     -0.2934315823
 C     -2.7329646653     -2.2348736250     -0.5921920063
 C     -1.8340312278     -3.2159825784     -0.6732864116
 C     -0.8973664871     -3.9175275556     -0.4563945962
 C      0.4654883332     -3.9851231597     -0.2109405857
 C      1.4846328043     -3.3641658277     -0.0758523185
 C      2.4618927091     -2.4440652122     -0.1100546269
 C      3.1061839748     -1.4025821557     -0.1853272355
 C      3.5031966102     -0.1365833828     -0.1054848474
 C      3.2030381549      1.0472387970     -0.0462045837
 C      2.6518684881      2.2537779934      0.2840652192
 C      1.9726758098      3.2479642577      0.3452721956
18
# ORCA AIMD Position Step 140, t=140.00 fs, E_Pot=-685.22120686 Hartree, Unit is Angstrom
 C      0.7619022911      3.8195516099      0.4339024813
 C     -0.4177009828      3.8948952584      0.5422670680
 C     -1.7101999810      3.4339399338      0.5436494833
 C     -2.4920161341      2.5278341017      0.4853283403
 C     -3.0985409089      1.3930767407      0.1600734641
 C     -3.2425974726      0.1854051920     -0.0138462876
 C     -3.2074774170     -1.1687247559     -0.2930630615
 C     -2.7339705127     -2.2333255596     -0.5939421127
 C     -1.8321634161     -3.2099949199     -0.6796841859
 C     -0.9027028982     -3.9178017110     -0.4601889290
 C      0.4638304684     -3.9918301921     -0.2130936003
 C      1.4788335538     -3.3604489394     -0.0778497222
 C      2.4585992212     -2.4449865052     -0.1133620231
 C      3.1063236790     -1.3992970697     -0.1884803116
 C      3.5073650476     -0.1345346295     -0.1064512033
 C      3.2017341180      1.0430519557     -0.0434829575
 C      2.6505712005      2.2494605261      0.2911301592
 C      1.9742339377      3.2473906292      0.3487726513
18
# ORCA AIMD Position Step 141, t=141.00 fs, E_Pot=-685.22066762 Hartree, Unit is Angstrom
 C      0.7680402932      3.8156785075      0.4365888997
 C     -0.4156992142      3.8988536758      0.5446276196
 C     -1.7148651925      3.4351607942      0.5451990628
 C     -2.4907206373      2.5318027083      0.4889508421
 C     -3.0980904563      1.3898655625      0.1602050474
 C     -3.2369571398      0.1852024694     -0.0142487715
 C     -3.2076953895     -1.1695121772     -0.2924856557
 C     -2.7351827380     -2.2318542269     -0.5957567910
 C     -1.8320334601     -3.2037011912     -0.6864032661
 C     -0.9051643315     -3.9192016201     -0.4636760286
 C      0.4602028514     -3.9989933008     -0.2155911878
 C      1.4738610745     -3.3565853918     -0.0800212473
 C      2.4563473968     -2.4446907803     -0.1167659736
 C      3.1056966970     -1.3982310873     -0.1915064137
 C      3.5112431482     -0.1315362755     -0.1076184241
 C      3.2005475234      1.0396560232     -0.0398854640
 C      2.6505116729      2.2439978958      0.2974824018
 C      1.9754977008      3.2468218700      0.3524594255
18
# ORCA AIMD Position Step 142, t=142.00 fs, E_Pot=-685.22155444 Hartree, Unit is Angstrom
 C      0.7754953378      3.8122437573      0.4394831395
 C     -0.4162753635      3.9028756507      0.5471279282
 C     -1.7174173257      3.4380087707      0.5470425035
 C     -2.4905783719      2.5353408335      0.4922323247
 C     -3.0979758967      1.3847666637      0.1605399723
 C     -3.2315814120      0.1847532415     -0.0149143136
 C     -3.2081718988     -1.1679841938     -0.2916651450
 C     -2.7365973164     -2.2305159741     -0.5976718147
 C     -1.8334103171     -3.1973500277     -0.6934028254
 C     -0.9049212177     -3.9215962742     -0.4669040991
 C      0.4548904700     -4.0064100599     -0.2183973988
 C      1.4694464337     -3.3527792025     -0.0824109958
 C      2.4552082315     -2.4430510710     -0.1202707729
 C      3.1042770753     -1.3994049413     -0.1943933251
 C      3.5148550440     -0.1280866698     -0.1090199518
 C      3.1994243857      1.0374091751     -0.0353735480
 C      2.6515687445      2.2376170586      0.3031181348
 C      1.9768016851      3.2459406809      0.3563132193
18
# ORCA AIMD Position Step 143, t=143.00 fs, E_Pot=-685.22281616 Hartree, Unit is Angstrom
 C      0.7832951386      3.8094376187      0.4426528267
 C     -0.4188331264      3.9068733937      0.5496970767
 C     -1.7175700029      3.4426766436      0.5491862071
 C     -2.4919014135      2.5379788530      0.4950556814
 C     -3.0979991092      1.3784318562      0.1612178460
 C     -3.2265735180      0.1837700719     -0.0158760433
 C     -3.2088930917     -1.1641918632     -0.2906233789
 C     -2.7382748306     -2.2292245381     -0.5996713543
 C     -1.8357867303     -3.1914226885     -0.7005524600
 C     -0.9025294835     -3.9246370692     -0.4699868655
 C      0.4484489815     -4.0137569677     -0.2214299945
 C      1.4652640302     -3.3492978328     -0.0850645657
 C      2.4550476627     -2.4402491728     -0.1238493575
 C      3.1022373984     -1.4024561345     -0.1971246051
 C      3.5181777104     -0.1247774455     -0.1106890751
 C      3.1983480376      1.0365610691     -0.0299555979
 C      2.6535420418      2.2307054695      0.3080372924
 C      1.9785217323      3.2443750473      0.3602931417
18
# ORCA AIMD Position Step 144, t=144.00 fs, E_Pot=-685.22346344 Hartree, Unit is Angstrom
 C      0.7903751985      3.8074460078      0.4461685491
 C     -0.4225031601      3.9107768554      0.5522558154
 C     -1.7154381161      3.4490047604      0.5516080059
 C     -2.4947314586      2.5395405729      0.4973346569
 C     -3.0979523083      1.3716331180      0.1623871374
 C     -3.2220404287      0.1819497082     -0.0171639458
 C     -3.2097820675     -1.1584219936     -0.2894375036
 C     -2.7403214619     -2.2277746874     -0.6016999049
 C     -1.8385166270     -3.1864909283     -0.7076861279
 C     -0.8988064528     -3.9278524510     -0.4730903922
 C      0.4415858528     -4.0206752573     -0.2245849751
 C      1.4609955382     -3.3463981566     -0.0880282944
 C      2.4555276757     -2.4367534610     -0.1274603529
 C      3.0999164397     -1.4067033503     -0.1996949044
 C      3.5211538262     -0.1221584082     -0.1126545662
 C      3.1973542380      1.0371586515     -0.0236788965
 C      2.6561930802      2.2237241123      0.3122704945
 C      1.9809816045      3.2417883162      0.3643610777
18
# ORCA AIMD Position Step 145, t=145.00 fs, E_Pot=-685.22309043 Hartree, Unit is Angstrom
 C      0.7958355210      3.8064036249      0.4500920277
 C     -0.4263539858      3.9145478086      0.5547377451
 C     -1.7115051549      3.4565160304      0.5542646497
 C     -2.4988349717      2.5401700594      0.4990269841
 C     -3.0976486760      1.3651197021      0.1641844314
 C     -3.2180713072      0.1790704301     -0.0187919877
 C     -3.2107184141     -1.1511526039     -0.2882292652
 C     -2.7428484228     -2.2259090099     -0.6036820687
 C     -1.8409853140     -3.1830709489     -0.7146448427
 C     -0.8946528356     -3.9307608325     -0.4764030992
 C      0.4350264741     -4.0268435609     -0.2277591789
 C      1.4563957535     -3.3442707993     -0.0913459379
 C      2.4561604289     -2.4332335136     -0.1310600937
 C      3.0977527853     -1.4112832954     -0.2021149101
 C      3.5236990926     -0.1206218049     -0.1149344121
 C      3.1965428709      1.0390019248     -0.0166202180
 C      2.6592935522      2.2171267888      0.3158822914
 C      1.9843615474      3.2379604018      0.3684982798
18
# ORCA AIMD Position Step 146, t=146.00 fs, E_Pot=-685.22194685 Hartree, Unit is Angstrom
 C      0.7991027653      3.8063656240      0.4544657535
 C     -0.4295544286      3.9181812670      0.5570995125
 C     -1.7065070245      3.4645270954      0.5571007953
 C     -2.5037750817      2.5402583780      0.5001310231
 C     -3.0969437057      1.3594955222      0.1667168148
 C     -3.2147290254      0.1750867513     -0.0207442073
 C     -3.2115628937     -1.1429900771     -0.2871503622
 C     -2.7459282276     -2.2233937935     -0.6055419882
 C     -1.8427397714     -3.1815225865     -0.7212985871
 C     -0.8908984201     -3.9329551110     -0.4801043825
 C      0.4294092011     -4.0320198139     -0.2308655309
 C      1.4513303010     -3.3430184544     -0.0950538231
 C      2.4564009363     -2.4304298485     -0.1346097724
 C      3.0962010215     -1.4153151888     -0.2044077693
 C      3.5257076123     -0.1203410578     -0.1175291143
 C      3.1960800172      1.0416512790     -0.0088799808
 C      2.6626603584      2.2113074010      0.3189604840
 C      1.9886394912      3.2328390016      0.3727111928
18
# ORCA AIMD Position Step 147, t=147.00 fs, E_Pot=-685.22064016 Hartree, Unit is Angstrom
 C      0.7999941021      3.8072955139      0.4593071939
 C     -0.4314738161      3.9216981679      0.5593229638
 C     -1.7012873227      3.4722816092      0.5600577755
 C     -2.5090143368      2.5403232024      0.5006722578
 C     -3.0957421171      1.3551477843      0.1700521950
 C     -3.2120492675      0.1702101548     -0.0229601769
 C     -3.2121815359     -1.1346174367     -0.2863692807
 C     -2.7495533003     -2.2200959839     -0.6072232479
 C     -1.8435639245     -3.1819921592     -0.7275508928
 C     -0.8881949399     -3.9341493742     -0.4843403337
 C      0.4252083784     -4.0360581569     -0.2338431718
 C      1.4457931690     -3.3426521411     -0.0991768534
 C      2.4557537478     -2.4290018400     -0.1380817756
 C      3.0956363487     -1.4180750692     -0.2066001897
 C      3.5270633341     -0.1212695154     -0.1204182152
 C      3.1961862460      1.0444845041     -0.0005771076
 C      2.6661760411      2.2065676375      0.3216024639
 C      1.9935710887      3.2265617292      0.3770311295
18
# ORCA AIMD Position Step 148, t=148.00 fs, E_Pot=-685.21970621 Hartree, Unit is Angstrom
 C      0.7986961992      3.8090733114      0.4646068028
 C     -0.4317373810      3.9251317703      0.5614114652
 C     -1.6966619904      3.4790667074      0.5630791916
 C     -2.5140056978      2.5409017226      0.5006925825
 C     -3.0940000999      1.3522145990      0.1742109958
 C     -3.2100436061      0.1649339058     -0.0253285610
 C     -3.2124625980     -1.1267441714     -0.2860576455
 C     -2.7536202139     -2.2160225888     -0.6086995300
 C     -1.8434971676     -3.1844031406     -0.7333366930
 C     -0.8869521995     -3.9341980147     -0.4892062814
 C      0.4226854263     -4.0389112805     -0.2366626161
 C      1.4399034250     -3.3431018292     -0.1037239724
 C      2.4538811504     -2.4293755739     -0.1414641413
 C      3.0962652135     -1.4191514617     -0.2087127283
 C      3.5276556893     -0.1231787854     -0.1235590464
 C      3.1971092621      1.0467908896      0.0081571144
 C      2.6697969312      2.2030955772      0.3239000926
 C      1.9987198306      3.2194420929      0.3815073621
18
# ORCA AIMD Position Step 149, t=149.00 fs, E_Pot=-685.21933565 Hartree, Unit is Angstrom
 C      0.7957002753      3.8115144054      0.4703275968
 C     -0.4302520096      3.9285142817      0.5633848040
 C     -1.6933174582      3.4842911354      0.5661126232
 C     -2.5182586343      2.5424688001      0.5002414845
 C     -3.0917211917      1.3506061859      0.1791641693
 C     -3.2087043460      0.1600021206     -0.0276888736
 C     -3.2123283836     -1.1200607864     -0.2863768348
 C     -2.7579346831     -2.2113316258     -0.6099800062
 C     -1.8428119680     -3.1884774048     -0.7386170821
 C     -0.8873085078     -3.9330970036     -0.4947340510
 C      0.4218659138     -4.0406257337     -0.2393276217
 C      1.4338858141     -3.3442355417     -0.1086828026
 C      2.4506872994     -2.4316322221     -0.1447620059
 C      3.0980653510     -1.4185396894     -0.2107521625
 C      3.5273969119     -0.1257199861     -0.1268874292
 C      3.1990934039      1.0478643070      0.0171809720
 C      2.6735463746      2.2009638284      0.3259298958
 C      2.0035179667      3.2119344028      0.3861965179
18
# ORCA AIMD Position Step 150, t=150.00 fs, E_Pot=-685.21941815 Hartree, Unit is Angstrom
 C      0.7917179694      3.8143948144      0.4764079291
 C     -0.4272184411      3.9318662504      0.5652748537
 C     -1.6917275216      3.4875444764      0.5691121037
 C     -2.5213905089      2.5453792089      0.4993704442
 C     -3.0889484430      1.3500626194      0.1848382870
 C     -3.2080095620      0.1562999706     -0.0298494032
 C     -3.2117451960     -1.1151631521     -0.2874579213
 C     -2.7622292370     -2.2063251381     -0.6111104034
 C     -1.8419726760     -3.1937700972     -0.7433799686
 C     -0.8891291844     -3.9309785795     -0.5008872887
 C      0.4225341814     -4.0413375049     -0.2418742556
 C      1.4280565679     -3.3458689447     -0.1140172704
 C      2.4463430748     -2.4354805997     -0.1479957678
 C      3.1007725659     -1.4166625829     -0.2127111878
 C      3.5262427055     -0.1284948966     -0.1303238317
 C      3.2023349108      1.0471291799      0.0263577028
 C      2.6775066448      2.2001204158      0.3277430222
 C      2.0073526294      3.2045695785      0.3911521237
18
# ORCA AIMD Position Step 151, t=151.00 fs, E_Pot=-685.21981726 Hartree, Unit is Angstrom
 C      0.7875774547      3.8174814455      0.4827707531
 C     -0.4231110343      3.9351920303      0.5671221471
 C     -1.6920980294      3.4886353921      0.5720417296
 C     -2.5231640034      2.5498295760      0.4981283212
 C     -3.0857506813      1.3502395848      0.1911307455
 C     -3.2079283010      0.1546794148     -0.0316198734
 C     -3.2107299932     -1.1124474655     -0.2893774713
 C     -2.7661984809     -2.2014165851     -0.6121709469
 C     -1.8415692866     -3.1997311411     -0.7476431361
 C     -0.8920374604     -3.9280929729     -0.5075684017
 C      0.4242620419     -4.0412594626     -0.2443678260
 C      1.4227922924     -3.3477821934     -0.1196715443
 C      2.4412443550     -2.4403268539     -0.1511957960
 C      3.1039317222     -1.4142831949     -0.2145747871
 C      3.5242068046     -0.1311353212     -0.1337859432
 C      3.2069434296      1.0442512227      0.0355772873
 C      2.6818020350      2.2003985832      0.3293616506
 C      2.0096645437      3.1978682766      0.3964177809
18
# ORCA AIMD Position Step 152, t=152.00 fs, E_Pot=-685.22057611 Hartree, Unit is Angstrom
 C      0.7841095622      3.8205613699      0.4893356228
 C     -0.4186082050      3.9384779013      0.5689712572
 C     -1.6943427327      3.4876112079      0.5748793682
 C     -2.5235190406      2.5558243873      0.4965545987
 C     -3.0822045531      1.3508109607      0.1979317564
 C     -3.2084268561      0.1557735354     -0.0328487076
 C     -3.2093525294     -1.1120133568     -0.2921371161
 C     -2.7695335058     -2.1970917889     -0.6132707750
 C     -1.8422350979     -3.2057798551     -0.7514526363
 C     -0.8954880872     -3.9247701795     -0.5146356560
 C      0.4264760493     -4.0406549754     -0.2468946136
 C      1.4184870727     -3.3497440470     -0.1255775187
 C      2.4359207596     -2.4454130717     -0.1543955219
 C      3.1069944542     -1.4123360556     -0.2163278492
 C      3.5213637508     -0.1333853180     -0.1372031423
 C      3.2129197282      1.0392069909      0.0447742790
 C      2.6865680726      2.2015574771      0.3307824327
 C      2.0100351467      3.1922509274      0.4020205393
18
# ORCA AIMD Position Step 153, t=153.00 fs, E_Pot=-685.22187005 Hartree, Unit is Angstrom
 C      0.7820233246      3.8234649134      0.4960289387
 C     -0.4144685774      3.9416929168      0.5708639250
 C     -1.6980887412      3.4847659568      0.5776192028
 C     -2.5226001799      2.5631417616      0.4946727708
 C     -3.0783776103      1.3515591422      0.2051430401
 C     -3.2094742925      0.1598565831     -0.0334528566
 C     -3.2077311483     -1.1136160492     -0.2956542619
 C     -2.7719505496     -2.1938630536     -0.6145379340
 C     -1.8445494134     -3.2113882378     -0.7548688301
 C     -0.8988772855     -3.9213599688     -0.5219287093
 C      0.4285575638     -4.0397998437     -0.2495478210
 C      1.4154984981     -3.3515433639     -0.1316631399
 C      2.4309298742     -2.4499729816     -0.1576231748
 C      3.1094258011     -1.4117364827     -0.2179613264
 C      3.5178431008     -0.1351701141     -0.1405289075
 C      3.2201515739      1.0323020211      0.0539332755
 C      2.6919075633      2.2033509507      0.3319865230
 C      2.0082528814      3.1879594019      0.4079640983
18
# ORCA AIMD Position Step 154, t=154.00 fs, E_Pot=-685.22376918 Hartree, Unit is Angstrom
 C      0.7817953324      3.8260806443      0.5027904952
 C     -0.4113890947      3.9447912278      0.5728323301
 C     -1.7027072293      3.4806287359      0.5802734991
 C     -2.5207668240      2.5713222351      0.4924868933
 C     -3.0743136325      1.3524491677      0.2126933595
 C     -3.2110485899      0.1667497249     -0.0334398753
 C     -3.2060180811     -1.1166807868     -0.2997679557
 C     -2.7732192193     -2.1922115942     -0.6161009528
 C     -1.8489438996     -3.2161529080     -0.7579516896
 C     -0.9016647254     -3.9181720703     -0.5292953363
 C      0.4299467106     -4.0389340435     -0.2524125998
 C      1.4141009473     -3.3530223264     -0.1378589395
 C      2.4267588924     -2.4533672294     -0.1608971412
 C      3.1108041605     -1.4132025059     -0.2194727060
 C      3.5138055701     -0.1366420008     -0.1437509487
 C      3.2284231720      1.0241477223      0.0630876651
 C      2.6978579211      2.2055748022      0.3329497864
 C      2.0043437789      3.1850159679      0.4142247897
18
# ORCA AIMD Position Step 155, t=155.00 fs, E_Pot=-685.22608721 Hartree, Unit is Angstrom
 C      0.7835652764      3.8283690939      0.5095806833
 C     -0.4098545928      3.9477124381      0.5748945657
 C     -1.7073779696      3.4759229813      0.5828737210
 C     -2.5185698255      2.5796961530      0.4899818721
 C     -3.0700287963      1.3536427640      0.2205444304
 C     -3.2131373653      0.1758553369     -0.0329054501
 C     -3.2043741072     -1.1204182440     -0.3042692377
 C     -2.7731979989     -2.1925080458     -0.6180669305
 C     -1.8556053456     -3.2198708762     -0.7607421994
 C     -0.9034936872     -3.9154079019     -0.5366201410
 C      0.4302425560     -4.0382134925     -0.2555539267
 C      1.4144302454     -3.3541120454     -0.1441061930
 C      2.4237516009     -2.4551809147     -0.1642228544
 C      3.1108854374     -1.4171339209     -0.2208669702
 C      3.5094208476     -0.1381771536     -0.1468930224
 C      3.2374467387      1.0155760523      0.0723085371
 C      2.7043654839      2.2081156756      0.3336573691
 C      1.9985767920      3.1832137766      0.4207504937
18
# ORCA AIMD Position Step 156, t=156.00 fs, E_Pot=-685.22845787 Hartree, Unit is Angstrom
 C      0.7870834603      3.8303695976      0.5163845262
 C     -0.4100315196      3.9503858253      0.5770538604
 C     -1.7112017261      3.4714772787      0.5854676497
 C     -2.5166773119      2.5874763494      0.4871306144
 C     -3.0655188344      1.3554511656      0.2286873344
 C     -3.2157351615      0.1862847267     -0.0320118031
 C     -3.2029326825     -1.1240038930     -0.3089464174
 C     -2.7718745490     -2.1949161554     -0.6204972065
 C     -1.8644103590     -3.2225921519     -0.7632474418
 C     -0.9042715695     -3.9131116678     -0.5438471553
 C      0.4292791425     -4.0376760871     -0.2590076247
 C      1.4164405989     -3.3548551280     -0.1503666001
 C      2.4220557067     -2.4552911736     -0.1675948457
 C      3.1096362555     -1.4235503989     -0.2221582106
 C      3.5048455229     -0.1402977046     -0.1500045968
 C      3.2469094649      1.0074958146      0.0816853236
 C      2.7112850256      2.2109697600      0.3341140420
 C      1.9914335888      3.1821512494      0.4274661405
18
# ORCA AIMD Position Step 157, t=157.00 fs, E_Pot=-685.23049614 Hartree, Unit is Angstrom
 C      0.7917579478      3.8321928879      0.5232090107
 C     -0.4117574027      3.9527406449      0.5793033762
 C     -1.7133491880      3.4680890381      0.5881093923
 C     -2.5157440161      2.5939092608      0.4839100991
 C     -3.0607735091      1.3582455833      0.2371277439
 C     -3.2188415633      0.1970268261     -0.0309559228
 C     -3.2017661184     -1.1267550533     -0.3136310226
 C     -2.7693928912     -2.1993173909     -0.6233843307
 C     -1.8749367849     -3.2246131234     -0.7654466355
 C     -0.9041757300     -3.9111739796     -0.5509800351
 C      0.4271383320     -4.0372379361     -0.2627808468
 C      1.4199108057     -3.3554011202     -0.1566245489
 C      2.4216002075     -2.4538930168     -0.1709957796
 C      3.1072407740     -1.4320849098     -0.2233688361
 C      3.5001950415     -0.1435420266     -0.1531400288
 C      3.2565227616      1.0007305854      0.0912998329
 C      2.7184115190      2.2142112838      0.3343460701
 C      1.9835362132      3.1813073988      0.4342815929
18
# ORCA AIMD Position Step 158, t=158.00 fs, E_Pot=-685.23193576 Hartree, Unit is Angstrom
 C      0.7967743034      3.8339988928      0.5300753094
 C     -0.4146105277      3.9547143045      0.5816312522
 C     -1.7132223405      3.4663577013      0.5908420529
 C     -2.5162487545      2.5984660175      0.4803222110
 C     -3.0558022755      1.3623322761      0.2458635918
 C     -3.2224527268      0.2071183741     -0.0299334902
 C     -3.2008663873     -1.1282375262     -0.3182229313
 C     -2.7660571123     -2.2052884325     -0.6266457534
 C     -1.8865315203     -3.2264226608     -0.7673038129
 C     -0.9035840889     -3.9093775753     -0.5580653032
 C      0.4241056505     -4.0367098777     -0.2668587238
 C      1.4244830039     -3.3559777975     -0.1628850995
 C      2.4220867419     -2.4515009855     -0.1743997907
 C      3.1040898828     -1.4420245375     -0.2245280130
 C      3.4955244106     -0.1482990318     -0.1563296243
 C      3.2660604790      0.9958610201      0.1011962197
 C      2.7255310735      2.2179328668      0.3343962863
 C      1.9755505076      3.1801444977      0.4411043640
18
# ORCA AIMD Position Step 159, t=159.00 fs, E_Pot=-685.23260596 Hartree, Unit is Angstrom
 C      0.8012707811      3.8359615091      0.5370090855
 C     -0.4180250132      3.9562643450      0.5840259429
 C     -1.7105947533      3.4665482089      0.5936809778
 C     -2.5183558198      2.6009978581      0.4764139236
 C     -3.0506613596      1.3678185181      0.2548572478
 C     -3.2265473263      0.2158177219     -0.0291002250
 C     -3.2001487568     -1.1283113670     -0.3226958962
 C     -2.7623055908     -2.2121358361     -0.6301349671
 C     -1.8984297881     -3.2286122868     -0.7687879457
 C     -0.9029663370     -3.9074652522     -0.5651682380
 C      0.4205890212     -4.0358497878     -0.2712119658
 C      1.4297279421     -3.3568493698     -0.1691654757
 C      2.4230410708     -2.4488736792     -0.1777761699
 C      3.1007252059     -1.4524165150     -0.2256706477
 C      3.4908279244     -0.1546838386     -0.1595502205
 C      3.2753805151      0.9931203946      0.1113542065
 C      2.7324547175      2.2222094704      0.3343175334
 C      1.9680953831      3.1781874020      0.4478480692
18
# ORCA AIMD Position Step 160, t=160.00 fs, E_Pot=-685.23239350 Hartree, Unit is Angstrom
 C      0.8044939014      3.8382326468      0.5440334946
 C     -0.4214077871      3.9573748556      0.5864786784
 C     -1.7056525762      3.4685453514      0.5966030506
 C     -2.5218537353      2.6018152523      0.4722875473
 C     -3.0454751495      1.3745096932      0.2640159460
 C     -3.2310766053      0.2226800098     -0.0285509688
 C     -3.1994724084     -1.1270616777     -0.3270791781
 C     -2.7586613002     -2.2189895188     -0.6336661222
 C     -1.9098825920     -3.2317811828     -0.7698822539
 C     -0.9027614265     -3.9052097657     -0.5723519563
 C      0.4170259009     -4.0344119297     -0.2758113624
 C      1.4352020932     -3.3582746444     -0.1754872467
 C      2.4238855781     -2.4469165776     -0.1810941512
 C      3.0977696869     -1.4622014053     -0.2268336096
 C      3.4860536535     -0.1624684439     -0.1627089921
 C      3.2844180625      0.9923746900      0.1216785841
 C      2.7390596376      2.2270458027      0.3341621233
 C      1.9616545563      3.1750939086      0.4544425861
18
# ORCA AIMD Position Step 161, t=161.00 fs, E_Pot=-685.23145985 Hartree, Unit is Angstrom
 C      0.8059488581      3.8408999871      0.5511609086
 C     -0.4242435514      3.9580644644      0.5889874011
 C     -1.6989451140      3.4719045285      0.5995451034
 C     -2.5262100344      2.6016138778      0.4680947944
 C     -3.0404319379      1.3819157286      0.2731907799
 C     -3.2359593028      0.2275848652     -0.0283076009
 C     -3.1986749422     -1.1247096346     -0.3314315848
 C     -2.7556407075     -2.2249684557     -0.6370511430
 C     -1.9202813893     -3.2364265496     -0.7705930641
 C     -0.9032702424     -3.9024647246     -0.5796523885
 C      0.4137850484     -4.0321830055     -0.2806398592
 C      1.4405094373     -3.3604718434     -0.1818728007
 C      2.4240418061     -2.4465280570     -0.1843287578
 C      3.0958212854     -1.4703938514     -0.2280496475
 C      3.4811278651     -0.1711066265     -0.1656489187
 C      3.2931668142      0.9931879563      0.1320082004
 C      2.7453143948      2.2323438667      0.3339716374
 C      1.9564972435      3.1707150259      0.4608453599
18
# ORCA AIMD Position Step 162, t=162.00 fs, E_Pot=-685.23028499 Hartree, Unit is Angstrom
 C      0.8054636299      3.8439685607      0.5583905548
 C     -0.4261533336      3.9583832163      0.5915559872
 C     -1.6912492718      3.4759921447      0.6024187897
 C     -2.5306978107      2.6013281221      0.4640168888
 C     -3.0357754470      1.3893003661      0.2821858537
 C     -3.2410855063      0.2306819949     -0.0283267634
 C     -3.1976016803     -1.1215195511     -0.3358156726
 C     -2.7536771541     -2.2293114986     -0.6401304081
 C     -1.9292501453     -3.2428621350     -0.7709474367
 C     -0.9046034588     -3.8991878773     -0.5870703619
 C      0.4111103213     -4.0290190947     -0.2856967741
 C      1.4453285149     -3.3636058831     -0.1883407605
 C      2.4230925508     -2.4483787506     -0.1874673291
 C      3.0953112040     -1.4763022175     -0.2293420533
 C      3.4759857808     -0.1798310595     -0.1681680153
 C      3.3016501145      0.9949479458      0.1421389781
 C      2.7512797421      2.2379056004      0.3337740552
 C      1.9526577376      3.1651001566      0.4670430403
18
# ORCA AIMD Position Step 163, t=163.00 fs, E_Pot=-685.22938137 Hartree, Unit is Angstrom
 C      0.8031971786      3.8473519829      0.5657071664
 C     -0.4269281510      3.9584079583      0.5941931569
 C     -1.6834049041      3.4801427768      0.6051290907
 C     -2.5345623644      2.6019206719      0.4602345711
 C     -3.0317697592      1.3958200439      0.2907851297
 C     -3.2463269855      0.2323092495     -0.0285173711
 C     -3.1961307368     -1.1177368013     -0.3402811373
 C     -2.7530551213     -2.2314942691     -0.6427938527
 C     -1.9367023695     -3.2511552656     -0.7709880766
 C     -0.9066570537     -3.8954517461     -0.5945665805
 C      0.4090887101     -4.0248572415     -0.2910011566
 C      1.4494267542     -3.3677877331     -0.1949016803
 C      2.4209043228     -2.4527378117     -0.1905142345
 C      3.0963969229     -1.4796917203     -0.2307194900
 C      3.4705925284     -0.1877773109     -0.1700488524
 C      3.3098934227      0.9970096473      0.1518546573
 C      2.7570944272      2.2434451142      0.3335819616
 C      1.9499534885      3.1584778724      0.4730499249
18
# ORCA AIMD Position Step 164, t=164.00 fs, E_Pot=-685.22898701 Hartree, Unit is Angstrom
 C      0.7995924287      3.8508870118      0.5730814210
 C     -0.4265349877      3.9582350567      0.5969110793
 C     -1.6761852108      3.4837753193      0.6075891158
 C     -2.5371578544      2.6042007005      0.4569031150
 C     -3.0286581939      1.4006766262      0.2987795620
 C     -3.2515508693      0.2329008263     -0.0287622923
 C     -3.1941854690     -1.1135553510     -0.3448567751
 C     -2.7538799200     -2.2312847804     -0.6449874147
 C     -1.9428467079     -3.2611077036     -0.7707671436
 C     -0.9091337156     -3.8914324703     -0.6020646546
 C      0.4076525103     -4.0197193772     -0.2965889713
 C      1.4526633406     -3.3730783997     -0.2015558070
 C      2.4176859160     -2.4593948677     -0.1934888723
 C      3.0989174436     -1.4808416224     -0.2321756855
 C      3.4649538990     -0.1940973046     -0.1710851530
 C      3.3179058483      0.9988035211      0.1609506070
 C      2.7629429200      2.2486238729      0.3333970923
 C      1.9480479392      3.1512039605      0.4789000568
18
# ORCA AIMD Position Step 165, t=165.00 fs, E_Pot=-685.22906622 Hartree, Unit is Angstrom
 C      0.7952857971      3.8543626841      0.5804749117
 C     -0.4250982638      3.9579724138      0.5997229289
 C     -1.6702124840      3.4864618346      0.6097308992
 C     -2.5380381768      2.6086939192      0.4541340242
 C     -3.0266240823      1.4032479782      0.3059907152
 C     -3.2566324888      0.2329213808     -0.0289362427
 C     -3.1917363671     -1.1091145824     -0.3495499828
 C     -2.7560808609     -2.2287468550     -0.6467116977
 C     -1.9481356581     -3.2722893617     -0.7703364471
 C     -0.9116112187     -3.8873722448     -0.6094656664
 C      0.4066039767     -4.0137148702     -0.3025061111
 C      1.4549911292     -3.3794872762     -0.2082910644
 C      2.4139561613     -2.4677057756     -0.1964197150
 C      3.1024285718     -1.4804792073     -0.2336944896
 C      3.4591178287     -0.1980638396     -0.1711065415
 C      3.3256749777      0.9999111260      0.1692563210
 C      2.7690064636      2.2531125069      0.3332186580
 C      1.9465474726      3.1436806249      0.4846340051
18
# ORCA AIMD Position Step 166, t=166.00 fs, E_Pot=-685.22953842 Hartree, Unit is Angstrom
 C      0.7909950289      3.8575572293      0.5878463778
 C     -0.4228684411      3.9577292448      0.6026415755
 C     -1.6658952408      3.4879665781      0.6115130954
 C     -2.5370160393      2.6155533693      0.4519829011
 C     -3.0257582678      1.4031963949      0.3122903830
 C     -3.2614655960      0.2328126560     -0.0289219045
 C     -3.1888002746     -1.1045058503     -0.3543483507
 C     -2.7594450251     -2.2241965681     -0.6480124482
 C     -1.9531676754     -3.2841171757     -0.7697430781
 C     -0.9136384536     -3.8835338372     -0.6166674383
 C      0.4056580657     -4.0070296828     -0.3087987383
 C      1.4564591007     -3.3869730665     -0.2150849502
 C      2.4104253757     -2.4767535809     -0.1993373869
 C      3.1063210413     -1.4795808356     -0.2352550715
 C      3.4531604095     -0.1991642057     -0.1699963288
 C      3.3331688773      1.0001017682      0.1766485576
 C      2.7754141766      2.2566522754      0.3330539182
 C      1.9451042860      3.1362695330      0.4902858825
18
# ORCA AIMD Position Step 167, t=167.00 fs, E_Pot=-685.23034379 Hartree, Unit is Angstrom
 C      0.7874242129      3.8602627181      0.5951550679
 C     -0.4201826790      3.9576058597      0.6056809934
 C     -1.6633844852      3.4882665560      0.6129228484
 C     -2.5341949116      2.6245121411      0.4504467448
 C     -3.0260372011      1.4005426669      0.3176131906
 C     -3.2659695886      0.2329373549     -0.0286251566
 C     -3.1854397544     -1.0997630723     -0.3592224232
 C     -2.7636691670     -2.2181347758     -0.6489677435
 C     -1.9585660976     -3.2959619467     -0.7690267889
 C     -0.9148265771     -3.8801576806     -0.6235804944
 C      0.4044868101     -3.9998992939     -0.3155092725
 C      1.4572190128     -3.3954379377     -0.2219060564
 C      2.4078254724     -2.4855741110     -0.2022679311
 C      3.1099761613     -1.4791143119     -0.2368364404
 C      3.4471631413     -0.1971780496     -0.1677029205
 C      3.3403405935      0.9993428311      0.1830601013
 C      2.7822074472      2.2590960381      0.3329264000
 C      1.9434840107      3.1292338868      0.4958749095
18
# ORCA AIMD Position Step 168, t=168.00 fs, E_Pot=-685.23129471 Hartree, Unit is Angstrom
 C      0.7851673250      3.8623085771      0.6023650529
 C     -0.4174034771      3.9576832197      0.6088548427
 C     -1.6625548194      3.4875582043      0.6139799650
 C     -2.5299611904      2.6349166021      0.4494686733
 C     -3.0273301728      1.3956564426      0.3219584696
 C     -3.2700964317      0.2335329968     -0.0279888790
 C     -3.1817556433     -1.0948627031     -0.3641286814
 C     -2.7684073334     -2.2111745803     -0.6496766872
 C     -1.9648497352     -3.3072521970     -0.7682120090
 C     -0.9149600305     -3.8774087322     -0.6301464960
 C      0.4027714185     -3.9925851153     -0.3226695003
 C      1.4575266968     -3.4047203973     -0.2287159402
 C      2.4067720835     -2.4933354506     -0.2052293917
 C      3.1128793786     -1.4798374587     -0.2384190264
 C      3.4411978852     -0.1922410719     -0.1642486962
 C      3.3471331537      0.9978033819      0.1884855302
 C      2.7893177213      2.2604370487      0.3328817969
 C      1.9416130060      3.1226976658      0.5013979649
18
# ORCA AIMD Position Step 169, t=169.00 fs, E_Pot=-685.23191351 Hartree, Unit is Angstrom
 C      0.7846398220      3.8635716707      0.6094473994
 C     -0.4148521882      3.9580155988      0.6121772392
 C     -1.6630115160      3.4862464537      0.6147372112
 C     -2.5249493610      2.6458084144      0.4489470159
 C     -3.0294217251      1.3892042578      0.3253888296
 C     -3.2738324322      0.2346714380     -0.0270055243
 C     -3.1778764997     -1.0897250165     -0.3690122259
 C     -2.7733114859     -2.2039713531     -0.6502473886
 C     -1.9723344890     -3.3175509685     -0.7673041221
 C     -0.9140744995     -3.8753413188     -0.6363508393
 C      0.4002491140     -3.9853466849     -0.3302956905
 C      1.4577336401     -3.4145937953     -0.2354728220
 C      2.4076621070     -2.4994712440     -0.2082327968
 C      3.1146961082     -1.4821651199     -0.2399825829
 C      3.4353158748     -0.1848709500     -0.1597350259
 C      3.3534811703      0.9958537744      0.1929865324
 C      2.7965720600      2.2607988255      0.3329871217
 C      1.9395778727      3.1166445060      0.5068291062
18
# ORCA AIMD Position Step 170, t=170.00 fs, E_Pot=-685.23164192 Hartree, Unit is Angstrom
 C      0.7860172484      3.8639874046      0.6163843780
 C     -0.4127337269      3.9586278618      0.6156607941
 C     -1.6641499226      3.4848943963      0.6152786297
 C     -2.5199612228      2.6560644717      0.4487490431
 C     -3.0320473780      1.3820472816      0.3280216330
 C     -3.2772003199      0.2362472093     -0.0257218429
 C     -3.1739385868     -1.0842369778     -0.3738144196
 C     -2.7780683696     -2.1971498535     -0.6507855059
 C     -1.9810798941     -3.3265966384     -0.7662865939
 C     -0.9124959738     -3.8738832009     -0.6422276724
 C      0.3967677728     -3.9784096696     -0.3383856448
 C      1.4582403656     -3.4247899475     -0.2421378312
 C      2.4106344714     -2.5037395363     -0.2112844098
 C      3.1152959954     -1.4861210365     -0.2415040201
 C      3.4295448667     -0.1759403539     -0.1543371148
 C      3.3593186221      0.9940343028      0.1966860706
 C      2.8037251791      2.2604098232      0.3333265243
 C      1.9375995668      3.1109403419      0.5121250060
18
# ORCA AIMD Position Step 171, t=171.00 fs, E_Pot=-685.23030431 Hartree, Unit is Angstrom
 C      0.7892347357      3.8635417319      0.6231693851
 C     -0.4110869297      3.9595198676      0.6193180265
 C     -1.6652696091      3.4841306760      0.6157057485
 C     -2.5158492607      2.6645539860      0.4487317561
 C     -3.0349273481      1.3751371240      0.3300150055
 C     -3.2802543835      0.2380026328     -0.0242316347
 C     -3.1700656038     -1.0782931186     -0.3784861010
 C     -2.7824253176     -2.1912413076     -0.6513809114
 C     -1.9909129739     -3.3342940187     -0.7651273076
 C     -0.9108016776     -3.8728581248     -0.6478527368
 C      0.3923245904     -3.9719366360     -0.3469199714
 C      1.4594411319     -3.4350302881     -0.2486811815
 C      2.4155617119     -2.5062439959     -0.2143886961
 C      3.1147527570     -1.4913599588     -0.2429572743
 C      3.4238903732     -0.1665699404     -0.1482850852
 C      3.3645880868      0.9930003675      0.1997558939
 C      2.8105058458      2.2595514810      0.3339910533
 C      1.9359699293      3.1053874022      0.5172360632
18
# ORCA AIMD Position Step 172, t=172.00 fs, E_Pot=-685.22839714 Hartree, Unit is Angstrom
 C      0.7940195153      3.8622597835      0.6298065101
 C     -0.4097713329      3.9606732724      0.6231613976
 C     -1.6657375722      3.4845111860      0.6161148719
 C     -2.5133588071      2.6703212128      0.4487688009
 C     -3.0378010906      1.3693972352      0.3315463967
 C     -3.2830683336      0.2395964686     -0.0226565352
 C     -3.1663483102     -1.0718490593     -0.3829998129
 C     -2.7862081448     -2.1866278803     -0.6520968560
 C     -2.0015006564     -3.3406735394     -0.7637880019
 C     -0.9097291539     -3.8720292916     -0.6533273768
 C      0.3870879136     -3.9660081059     -0.3558637086
 C      1.4616575323     -3.4450654953     -0.2550891127
 C      2.4220852266     -2.5074017510     -0.2175513628
 C      3.1133158266     -1.4972427903     -0.2443126928
 C      3.4183418938     -0.1579615724     -0.1418311160
 C      3.3692512575      0.9934225300      0.2023886382
 C      2.8166619580      2.2585110839      0.3350675194
 C      1.9349874967      3.0997796471      0.5221175129
18
# ORCA AIMD Position Step 173, t=173.00 fs, E_Pot=-685.22691428 Hartree, Unit is Angstrom
 C      0.7999567913      3.8601934984      0.6363057212
 C     -0.4084952699      3.9620593270      0.6272019386
 C     -1.6651618927      3.4863686110      0.6165678822
 C     -2.5129619213      2.6727518680      0.4487822317
 C     -3.0404574997      1.3656078968      0.3327817172
 C     -3.2857182684      0.2407004296     -0.0211171499
 C     -3.1628312533     -1.0649692126     -0.3873592156
 C     -2.7893300631     -2.1835101417     -0.6529611870
 C     -2.0124434111     -3.3458346633     -0.7622342101
 C     -0.9100488354     -3.8711504862     -0.6587582431
 C      0.3813878573     -3.9606192496     -0.3651693327
 C      1.4650821488     -3.4547023636     -0.2613660637
 C      2.4296773869     -2.5078743736     -0.2207787047
 C      3.1113649524     -1.5029389733     -0.2455386633
 C      3.4128794593     -0.1511975091     -0.1352039076
 C      3.3732965750      0.9958469836      0.2047541374
 C      2.8219981294      2.2575386262      0.3366304281
 C      1.9349003066      3.0939574983      0.5267376119
18
# ORCA AIMD Position Step 174, t=174.00 fs, E_Pot=-685.22668946 Hartree, Unit is Angstrom
 C      0.8065702229      3.8574068070      0.6426756172
 C     -0.4068797558      3.9636423390      0.6314453925
 C     -1.6635084260      3.4897076027      0.6170709043
 C     -2.5147436341      2.6716823798      0.4487632682
 C     -3.0427571279      1.3643037154      0.3338442187
 C     -3.2882612613      0.2411030473     -0.0197021945
 C     -3.1595109448     -1.0578580323     -0.3915984405
 C     -2.7917859773     -2.1819010877     -0.6539650111
 C     -2.0233570509     -3.3498896950     -0.7604453585
 C     -0.9124324506     -3.8700124207     -0.6642316842
 C      0.3756716546     -3.9556936143     -0.3747777318
 C      1.4697483714     -3.4638146480     -0.2675316846
 C      2.4377219483     -2.5084595665     -0.2240773342
 C      3.1093482577     -1.5075453171     -0.2466006286
 C      3.4074824127     -0.1470450702     -0.1285658530
 C      3.3767437291      1.0005395315      0.2069530655
 C      2.8263967039      2.2568213628      0.3387320882
 C      1.9358585042      3.0878529028      0.5310821159
18
# ORCA AIMD Position Step 175, t=175.00 fs, E_Pot=-685.22787552 Hartree, Unit is Angstrom
 C      0.8133981342      3.8539648464      0.6489154687
 C     -0.4045422548      3.9653781463      0.6358872027
 C     -1.6611102521      3.4941891343      0.6175701212
 C     -2.5183786709      2.6674224475      0.4487755731
 C     -3.0446476439      1.3656931255      0.3347889654
 C     -3.2907175725      0.2407884986     -0.0184444054
 C     -3.1563439014     -1.0508569102     -0.3957740312
 C     -2.7936408081     -2.1816459502     -0.6550657589
 C     -2.0339303781     -3.3529241266     -0.7584212847
 C     -0.9173299166     -3.8684775532     -0.6697914035
 C      0.3704257663     -3.9511083379     -0.3846206922
 C      1.4755293137     -3.4723353957     -0.2736137755
 C      2.4456118294     -2.5099483935     -0.2274519188
 C      3.1076993563     -1.5102314923     -0.2474608451
 C      3.4021393780     -0.1458120199     -0.1219845197
 C      3.3796434784      1.0073635055      0.2089828385
 C      2.8298301402      2.2564677861      0.3413941023
 C      1.9378791277      3.0815226342      0.5351563628
18
# ORCA AIMD Position Step 176, t=176.00 fs, E_Pot=-685.22988065 Hartree, Unit is Angstrom
 C      0.8200592820      3.8499254386      0.6550143514
 C     -0.4011851156      3.9672094344      0.6405109638
 C     -1.6585577184      3.4992177391      0.6179683223
 C     -2.5232125998      2.6606821958      0.4489379285
 C     -3.0461709258      1.3696204047      0.3355934765
 C     -3.2930639281      0.2399611149     -0.0173124728
 C     -3.1532620606     -1.0443954186     -0.3999513969
 C     -2.7950121179     -2.1824629988     -0.6561987277
 C     -2.0439690435     -3.3549792202     -0.7561828465
 C     -0.9248729135     -3.8664999878     -0.6754279515
 C      0.3660773840     -3.9467195458     -0.3946322370
 C      1.4821672998     -3.4802460333     -0.2796455298
 C      2.4528629934     -2.5129581261     -0.2309040606
 C      3.1067374948     -1.5104124768     -0.2480810973
 C      3.3968554372     -0.1472943728     -0.1154267988
 C      3.3820735783      1.0157533722      0.2107357735
 C      2.8323702352      2.2564970251      0.3446028871
 C      1.9408285157      3.0751597166      0.5389885668
18
# ORCA AIMD Position Step 177, t=177.00 fs, E_Pot=-685.23173919 Hartree, Unit is Angstrom
 C      0.8262990816      3.8453305250      0.6609573163
 C     -0.3966667229      3.9690620235      0.6452926284
 C     -1.6565134180      3.5040989222      0.6181540395
 C     -2.5284173690      2.6524225624      0.4493948953
 C     -3.0474565611      1.3755966177      0.3361672813
 C     -3.2952405226      0.2390011773     -0.0162227508
 C     -3.1501892108     -1.0389093055     -0.4041906138
 C     -2.7960528761     -2.1839995096     -0.6572904448
 C     -2.0534215348     -3.3560495771     -0.7537698446
 C     -0.9348368542     -3.8641306753     -0.6810805527
 C      0.3629039388     -3.9423832360     -0.4047680274
 C      1.4893252540     -3.4875707116     -0.2856665398
 C      2.4592198795     -2.5177836241     -0.2344365323
 C      3.1065804582     -1.5078980941     -0.2484270402
 C      3.3916537046     -0.1508500764     -0.1087783189
 C      3.3841307463      1.0248184632      0.2120324103
 C      2.8341867914      2.2568391011      0.3483121036
 C      1.9444338422      3.0690736971      0.5426332641
18
# ORCA AIMD Position Step 178, t=178.00 fs, E_Pot=-685.23261855 Hartree, Unit is Angstrom
 C      0.8320012140      3.8402046478      0.6667325074
 C     -0.3910386921      3.9708428772      0.6502056281
 C     -1.6555351765      3.5081940121      0.6180290500
 C     -2.5331518095      2.6436887614      0.4502892025
 C     -3.0487013700      1.3828933696      0.3363756210
 C     -3.2971658946      0.2383674360     -0.0150673702
 C     -3.1470592127     -1.0347522640     -0.4085329592
 C     -2.7969314637     -2.1858921544     -0.6582720129
 C     -2.0623770437     -3.3560940766     -0.7512333177
 C     -0.9466734263     -3.8615043893     -0.6866513973
 C      0.3609869705     -3.9379722042     -0.4150180997
 C      1.4966440143     -3.4943651335     -0.2917232717
 C      2.4646984096     -2.5243316304     -0.2380534803
 C      3.1071109310     -1.5029529527     -0.2484736851
 C      3.3865731199     -0.1555705963     -0.1018824070
 C      3.3859179996      1.0335337986      0.2126724331
 C      2.8355288720      2.2573456652      0.3524516609
 C      1.9483267018      3.0636472411      0.5461680749
18
# ORCA AIMD Position Step 179, t=179.00 fs, E_Pot=-685.23221671 Hartree, Unit is Angstrom
 C      0.8371618809      3.8345601898      0.6723344165
 C     -0.3845405256      3.9724424975      0.6552243570
 C     -1.6559648824      3.5110213250      0.6175252056
 C     -2.5366768254      2.6354779613      0.4517434161
 C     -3.0501404315      1.3906671741      0.3360684792
 C     -3.2987524720      0.2384861866     -0.0137482772
 C     -3.1438325657     -1.0321308084     -0.4129858784
 C     -2.7978164980     -2.1878111003     -0.6590890721
 C     -2.0710276907     -3.3550559424     -0.7486292684
 C     -0.9596031340     -3.8588140760     -0.6920259003
 C      0.3602193778     -3.9333869734     -0.4254053821
 C      1.5037878806     -3.5007010774     -0.2978678666
 C      2.4695516406     -2.5321639659     -0.2417578202
 C      3.1080114514     -1.4962424505     -0.2482097800
 C      3.3816655457     -0.1604746311     -0.0945817561
 C      3.3875299274      1.0409346252      0.2124814584
 C      2.8366873272      2.2578167581      0.3569405885
 C      1.9521119193      3.0592758853      0.5496830250
18
# ORCA AIMD Position Step 180, t=180.00 fs, E_Pot=-685.23090266 Hartree, Unit is Angstrom
 C      0.8418395674      3.8284103846      0.6777653476
 C     -0.3775550048      3.9737413607      0.6603255472
 C     -1.6578931447      3.5122980008      0.6166118879
 C     -2.5384227055      2.6286426569      0.4538498854
 C     -3.0520140572      1.3980854107      0.3351064067
 C     -3.2999186132      0.2396630215     -0.0122039927
 C     -3.1405055011     -1.0310714282     -0.4175186070
 C     -2.7988685563     -2.1894840334     -0.6597060232
 C     -2.0796041344     -3.3528965914     -0.7460106464
 C     -0.9727466087     -3.8562747462     -0.6970906122
 C      0.3603555860     -3.9285584745     -0.4359759172
 C      1.5104718727     -3.5066521270     -0.3041548530
 C      2.4741780664     -2.5406203139     -0.2455487282
 C      3.1088479798     -1.4886927131     -0.2476414317
 C      3.3769918450     -0.1646644004     -0.0867493397
 C      3.3890402028      1.0462580822      0.2113415596
 C      2.8379439510      2.2580424448      0.3617002137
 C      1.9554496185      3.0562984030      0.5532654863
18
# ORCA AIMD Position Step 181, t=181.00 fs, E_Pot=-685.22951499 Hartree, Unit is Angstrom
 C      0.8460939514      3.8217854987      0.6830345163
 C     -0.3705395686      3.9746207089      0.6654888309
 C     -1.6611745099      3.5119437001      0.6152958865
 C     -2.5380270337      2.6238140395      0.4566653939
 C     -3.0545332054      1.4044413462      0.3333803302
 C     -3.3005973578      0.2420342379     -0.0104246859
 C     -3.1371135413     -1.0314229180     -0.4220605632
 C     -2.8002373991     -2.1907018608     -0.6601046406
 C     -2.0882935449     -3.3496317699     -0.7434259437
 C     -0.9852657636     -3.8540825960     -0.7017483516
 C      0.3610786990     -3.9234476189     -0.4467839706
 C      1.5164722347     -3.5122824133     -0.3106373891
 C      2.4790195704     -2.5489640261     -0.2494211814
 C      3.1091625332     -1.4813184425     -0.2467902252
 C      3.3726157787     -0.1674380448     -0.0783066050
 C      3.3904934380      1.0490201318      0.2092041769
 C      2.8395178441      2.2578515148      0.3666677224
 C      1.9581354139      3.0549289919      0.5569830950
18
# ORCA AIMD Position Step 182, t=182.00 fs, E_Pot=-685.22885336 Hartree, Unit is Angstrom
 C      0.8499269693      3.8147512195      0.6881572407
 C     -0.3639596359      3.9749700469      0.6706947067
 C     -1.6654578360      3.5100685579      0.6136200256
 C     -2.5353584739      2.6213425219      0.4602058018
 C     -3.0578468659      1.4092460205      0.3308274067
 C     -3.3007423032      0.2455486420     -0.0084583634
 C     -3.1337318675     -1.0328770741     -0.4265063529
 C     -2.8020596157     -2.1913153977     -0.6602825668
 C     -2.0971596231     -3.3453689845     -0.7409162543
 C     -0.9964808118     -3.8523768987     -0.7059273770
 C      0.3620605498     -3.9180432338     -0.4578774111
 C      1.5216265039     -3.5176357908     -0.3173625127
 C      2.4844718903     -2.5565039034     -0.2533630384
 C      3.1085504244     -1.4750657885     -0.2456869877
 C      3.3685973148     -0.1683714264     -0.0692362899
 C      3.3919016976      1.0490466110      0.2060926283
 C      2.8415219498      2.2571532276      0.3718025703
 C      1.9601614059      3.0552068014      0.5608690919
18
# ORCA AIMD Position Step 183, t=183.00 fs, E_Pot=-685.22916423 Hartree, Unit is Angstrom
 C      0.8532427993      3.8074227575      0.6931516441
 C     -0.3582272829      3.9746938265      0.6759214364
 C     -1.6702214730      3.5069622122      0.6116614739
 C     -2.5305384484      2.6212493372      0.4644386027
 C     -3.0620142318      1.4122924151      0.3274438032
 C     -3.3003312646      0.2499687629     -0.0064103307
 C     -3.1304725935     -1.0349969788     -0.4307208130
 C     -2.8044579200     -2.1912280942     -0.6602514486
 C     -2.1060842490     -3.3403365597     -0.7385165787
 C     -1.0059483704     -3.8512128439     -0.7095830211
 C      0.3630085031     -3.9123577957     -0.4692825824
 C      1.5258294981     -3.5227275858     -0.3243655196
 C      2.4908187645     -2.5626851250     -0.2573552869
 C      3.1067148978     -1.4706855256     -0.2443647930
 C      3.3649851423     -0.1673739162     -0.0595925423
 C      3.3932443843      1.0464796806      0.2021017635
 C      2.8439421367      2.2559592240      0.3770864031
 C      1.9617405643      3.0569728079      0.5649135506
18
# ORCA AIMD Position Step 184, t=184.00 fs, E_Pot=-685.22994305 Hartree, Unit is Angstrom
 C      0.8558507765      3.7999605310      0.6980362805
 C     -0.3536633744      3.9737190311      0.6811437958
 C     -1.6748045278      3.5030831582      0.6095296555
 C     -2.5239570547      2.6231919474      0.4692764107
 C     -3.0669840605      1.4137002520      0.3232951159
 C     -3.2993732950      0.2548960630     -0.0044333600
 C     -3.1274770403     -1.0372608921     -0.4345526312
 C     -2.8075305998     -2.1904074773     -0.6600368211
 C     -2.1147579553     -3.3348786836     -0.7362564002
 C     -1.0134896204     -3.8505503893     -0.7126953763
 C      0.3636935214     -3.9064199303     -0.4809986100
 C      1.5290341248     -3.5275335220     -0.3316674408
 C      2.4981862726     -2.5671620579     -0.2613757796
 C      3.1034988206     -1.4686378003     -0.2428474468
 C      3.3618095285     -0.1647372507     -0.0495079132
 C      3.3944745962      1.0417761295      0.1973948910
 C      2.8466508892      2.2543797143      0.3825171828
 C      1.9632725469      3.0598946904      0.5690672951
18
# ORCA AIMD Position Step 185, t=185.00 fs, E_Pot=-685.23033434 Hartree, Unit is Angstrom
 C      0.8574932451      3.7925503014      0.7028319624
 C     -0.3504708297      3.9719988754      0.6863369239
 C     -1.6784540095      3.4990314532      0.6073574996
 C     -2.5162473218      2.6264976154      0.4745825656
 C     -3.0726017167      1.4138927245      0.3185122407
 C     -3.2979082594      0.2598063384     -0.0027144397
 C     -3.1249013403     -1.0391077284     -0.4378463402
 C     -2.8113468388     -2.1888856887     -0.6596754644
 C     -2.1227283765     -3.3294164064     -0.7341623379
 C     -1.0191722119     -3.8502655993     -0.7152681020
 C      0.3639622374     -3.9002690138     -0.4930024677
 C      1.5312551396     -3.5319924597     -0.3392780866
 C      2.5065280848     -2.5698433687     -0.2654068423
 C      3.0988995053     -1.4690358112     -0.2411400775
 C      3.3590726091     -0.1611243036     -0.0391813305
 C      3.3955282627      1.0356736965      0.1921903377
 C      2.8494495323      2.2525874234      0.3881018973
 C      1.9652713893      3.0635271690      0.5732560213
18
# ORCA AIMD Position Step 186, t=186.00 fs, E_Pot=-685.22982935 Hartree, Unit is Angstrom
 C      0.8579090015      3.7853705376      0.7075609487
 C     -0.3487403188      3.9695108963      0.6914795043
 C     -1.6803923050      3.4954879936      0.6052884360
 C     -2.5082078470      2.6302680294      0.4801879319
 C     -3.0786383064      1.4135173381      0.3132749243
 C     -3.2960026021      0.2641132355     -0.0014531391
 C     -3.1228987363     -1.0399948549     -0.4404619432
 C     -2.8159383728     -2.1867645459     -0.6592120761
 C     -2.1294907173     -3.3243801078     -0.7322549637
 C     -1.0232432721     -3.8501794985     -0.7173229317
 C      0.3637348638     -3.8939448359     -0.5052626270
 C      1.5325670853     -3.5360088690     -0.3472012833
 C      2.5156217659     -2.5709196877     -0.2694431351
 C      3.0930681859     -1.4716394562     -0.2392230503
 C      3.3567466397     -0.1574974909     -0.0288538778
 C      3.3963377615      1.0291184032      0.1867394782
 C      2.8521280298      2.2507679804      0.3938468608
 C      1.9682553234      3.0674060768      0.5774039588
18
# ORCA AIMD Position Step 187, t=187.00 fs, E_Pot=-685.22876289 Hartree, Unit is Angstrom
 C      0.8569044021      3.7785560972      0.7122443110
 C     -0.3484680403      3.9662569951      0.6965553527
 C     -1.6799247153      3.4931108146      0.6034578617
 C     -2.5006703854      2.6335486199      0.4859160193
 C     -3.0848350544      1.4133121181      0.3077846794
 C     -3.2937380711      0.2672554237     -0.0008360277
 C     -3.1216028024     -1.0394577017     -0.4422886057
 C     -2.8212955755     -2.1842067776     -0.6586934580
 C     -2.1345842796     -3.3201382809     -0.7305477260
 C     -1.0260386108     -3.8500948404     -0.7188942766
 C      0.3629919568     -3.8874810444     -0.5177464537
 C      1.5330953468     -3.5394618410     -0.3554395694
 C      2.5250862524     -2.5708611919     -0.2734973832
 C      3.0862932286     -1.4758950249     -0.2370522748
 C      3.3547791626     -0.1549658604     -0.0187722446
 C      3.3968433342      1.0231359954      0.1812940546
 C      2.8545207620      2.2490715247      0.3997494004
 C      1.9726362503      3.0711445113      0.5814540797
18
# ORCA AIMD Position Step 188, t=188.00 fs, E_Pot=-685.22823625 Hartree, Unit is Angstrom
 C      0.8544149956      3.7721738732      0.7168958802
 C     -0.3495755042      3.9622646160      0.7015543956
 C     -1.6765788419      3.4923959423      0.6019698138
 C     -2.4943372627      2.6355328227      0.4916126880
 C     -3.0909494454      1.4139489231      0.3022289916
 C     -3.2911946268      0.2688021394     -0.0010071871
 C     -3.1211119168     -1.0371736827     -0.4432524566
 C     -2.8273733225     -2.1814067231     -0.6581595491
 C     -2.1376685579     -3.3169325437     -0.7290523960
 C     -1.0278879877     -3.8498358032     -0.7200220098
 C      0.3617599760     -3.8809094361     -0.5304203374
 C      1.5329938922     -3.5422159396     -0.3639937661
 C      2.5344181201     -2.5703793460     -0.2776020371
 C      3.0789702545     -1.4810123493     -0.2345622856
 C      3.3531073310     -0.1545709381     -0.0091530880
 C      3.3969981554      1.0186553154      0.1760727232
 C      2.8565411096      2.2475787796      0.4057885577
 C      1.9786317373      3.0745034203      0.5853817541
18
# ORCA AIMD Position Step 189, t=189.00 fs, E_Pot=-685.22919794 Hartree, Unit is Angstrom
 C      0.8505525155      3.7662166524      0.7215159262
 C     -0.3519210524      3.9575945863      0.7064668965
 C     -1.6702517703      3.4935321236      0.6008812006
 C     -2.4896281731      2.6357453655      0.4971645498
 C     -3.0967873733      1.4158916530      0.2967539115
 C     -3.2884393787      0.2685615652     -0.0020369301
 C     -3.1214752259     -1.0330219763     -0.4433319847
 C     -2.8340894500     -2.1785611569     -0.6576385681
 C     -2.1385806984     -3.3148475982     -0.7277733884
 C     -1.0290459356     -3.8492739823     -0.7207472171
 C      0.3601010444     -3.8742640709     -0.5432370304
 C      1.5324257982     -3.5441331477     -0.3728599125
 C      2.5430388725     -2.5703399144     -0.2818032425
 C      3.0715594033     -1.4860798774     -0.2316802184
 C      3.3516734259     -0.1570447987     -0.0001524603
 C      3.3967726059      1.0163063387      0.1712312370
 C      2.8581953056      2.2462902103      0.4119199647
 C      1.9862096797      3.0774274494      0.5891979085
18
# ORCA AIMD Position Step 190, t=190.00 fs, E_Pot=-685.23162065 Hartree, Unit is Angstrom
 C      0.8456137364      3.7606113591      0.7260872714
 C     -0.3552911761      3.9523493355      0.7112832856
 C     -1.6613059685      3.4963154844      0.6001927166
 C     -2.4865905034      2.6341450461      0.5025067980
 C     -3.1022214908      1.4193017302      0.2914447114
 C     -3.2855221321      0.2666625027     -0.0038988405
 C     -3.1226859009     -1.0271310848     -0.4425690734
 C     -2.8413224685     -2.1758396031     -0.6571415721
 C     -2.1373660817     -3.3137972565     -0.7267086186
 C     -1.0296506185     -3.8483466520     -0.7211111301
 C      0.3581053188     -3.8675898134     -0.5561291246
 C      1.5315412509     -3.5450882934     -0.3820217007
 C      2.5503740414     -2.5716195276     -0.2861500309
 C      3.0645179752     -1.4902219831     -0.2283380078
 C      3.3504393371     -0.1626044360      0.0081513769
 C      3.3961549916      1.0162506006      0.1668473281
 C      2.8595785974      2.2451290813      0.4180725249
 C      1.9950792385      3.0800463175      0.5929448653
18
# ORCA AIMD Position Step 191, t=191.00 fs, E_Pot=-685.23435854 Hartree, Unit is Angstrom
 C      0.8400518451      3.7552364795      0.7305800271
 C     -0.3593935748      3.9466713229      0.7159990997
 C     -1.6505520995      3.5001797505      0.5998546636
 C     -2.4849167054      2.6310980342      0.5076199912
 C     -3.1071945727      1.4240245300      0.2863172786
 C     -3.2824743438      0.2635687653     -0.0064666065
 C     -3.1246750736     -1.0198879774     -0.4410674191
 C     -2.8489273476     -2.1733590753     -0.6566577113
 C     -2.1342798100     -3.3135261628     -0.7258539689
 C     -1.0297113588     -3.8470613857     -0.7211578150
 C      0.3558814990     -3.8609374284     -0.5690126287
 C      1.5304606773     -3.5449936057     -0.3914556539
 C      2.5559615574     -2.5749247848     -0.2906835077
 C      3.0582097252     -1.4927971309     -0.2244933694
 C      3.3493935686     -0.1708724159      0.0157662143
 C      3.3951519921      1.0181249680      0.1629200126
 C      2.8608542265      2.2439587436      0.4241592416
 C      2.0047358317      3.0826395636      0.5966901389
18
# ORCA AIMD Position Step 192, t=192.00 fs, E_Pot=-685.23600820 Hartree, Unit is Angstrom
 C      0.8344113962      3.7499411854      0.7349603831
 C     -0.3638612434      3.9407332279      0.7206223669
 C     -1.6391087427      3.5043261345      0.5997846386
 C     -2.4840608761      2.6272396263      0.5125182162
 C     -3.1117105481      1.4296637987      0.2813297672
 C     -3.2793147394      0.2600079494     -0.0095373014
 C     -3.1273277545     -1.0118937399     -0.4389874168
 C     -2.8567458360     -2.1711781665     -0.6561594194
 C     -2.1297571007     -3.3136464244     -0.7251975899
 C     -1.0291254306     -3.8454885186     -0.7209311521
 C      0.3535476553     -3.8543578955     -0.5818028488
 C      1.5292651176     -3.5438067516     -0.4011422336
 C      2.5595495537     -2.5806164598     -0.2954332196
 C      3.0528185229     -1.4935716015     -0.2201421814
 C      3.3485516421     -0.1809727825      0.0227708852
 C      3.3937838181      1.0211438101      0.1593927116
 C      2.8622192124      2.2426164561      0.4300923666
 C      2.0145601483      3.0855714935      0.6005199269
18
# ORCA AIMD Position Step 193, t=193.00 fs, E_Pot=-685.23576440 Hartree, Unit is Angstrom
 C      0.8292506051      3.7445738052      0.7392013333
 C     -0.3682684829      3.9347203126      0.7251788653
 C     -1.6282003071      3.5079044934      0.5998866538
 C     -2.4834044046      2.6232774403      0.5172308081
 C     -3.1158068885      1.4357103692      0.2764035482
 C     -3.2760631770      0.2568419732     -0.0128679082
 C     -3.1305056776     -1.0038744706     -0.4365238430
 C     -2.8646182368     -2.1693114053     -0.6556075934
 C     -2.1243468161     -3.3136967279     -0.7247224100
 C     -1.0277113231     -3.8437394292     -0.7204788198
 C      0.3512237284     -3.8478964899     -0.5944350332
 C      1.5279841849     -3.5415350161     -0.4110745750
 C      2.5611322821     -2.5886227839     -0.3003980246
 C      3.0483167633     -1.4927928415     -0.2153248011
 C      3.3479493567     -0.1917541093      0.0292912129
 C      3.3920826601      1.0243169364      0.1561819264
 C      2.8638586042      2.2409503451      0.4358017759
 C      2.0239338299      3.0892105765      0.6045203414
18
# ORCA AIMD Position Step 194, t=194.00 fs, E_Pot=-685.23394475 Hartree, Unit is Angstrom
 C      0.8250762636      3.7390026294      0.7432856893
 C     -0.3721644312      3.9288135468      0.7297086426
 C     -1.6189706019      3.5101607357      0.6000703832
 C     -2.4824072290      2.6198290460      0.5217847357
 C     -3.1195250143      1.4416776160      0.2714549630
 C     -3.2727445343      0.2549210090     -0.0162183043
 C     -3.1340698167     -0.9965776748     -0.4338811816
 C     -2.8723893568     -2.1677568831     -0.6549592105
 C     -2.1186262764     -3.3132046998     -0.7244077262
 C     -1.0252721628     -3.8419356228     -0.7198494181
 C      0.3490249193     -3.8415922561     -0.6068662263
 C      1.5266030021     -3.5382290536     -0.4212613721
 C      2.5609250870     -2.5984737196     -0.3055430378
 C      3.0444919665     -1.4911281021     -0.2101243317
 C      3.3476343814     -0.2020376783      0.0354638549
 C      3.3900847687      1.0266798239      0.1532097895
 C      2.8658937439      2.2388643595      0.4412441674
 C      2.0323475528      3.0938454478      0.6087637165
18
# ORCA AIMD Position Step 195, t=195.00 fs, E_Pot=-685.23176384 Hartree, Unit is Angstrom
 C      0.8222882705      3.7331315406      0.7472066478
 C     -0.3751198931      3.9231700256      0.7342591042
 C     -1.6123343606      3.5105359884      0.6002671709
 C     -2.4806972878      2.6173223536      0.5261898066
 C     -3.1228892656      1.4471977245      0.2664206125
 C     -3.2693919829      0.2549501449     -0.0193908001
 C     -3.1379027627     -0.9906670825     -0.4312431004
 C     -2.8799120589     -2.1665173726     -0.6541746011
 C     -2.1131103986     -3.3117496610     -0.7242308554
 C     -1.0216715155     -3.8401723712     -0.7190912394
 C      0.3470607586     -3.8354830667     -0.6190695724
 C      1.5250724462     -3.5339752355     -0.4317239580
 C      2.5592974040     -2.6094301676     -0.3108056355
 C      3.0410193912     -1.4894907074     -0.2046552663
 C      3.3476536507     -0.2108202132      0.0414092153
 C      3.3878237746      1.0274628484      0.1504255397
 C      2.8683477137      2.2363553284      0.4464046850
 C      2.0394769687      3.0996179596      0.6132949542
18
# ORCA AIMD Position Step 196, t=196.00 fs, E_Pot=-685.23056552 Hartree, Unit is Angstrom
 C      0.8211427692      3.7269125656      0.7509672416
 C     -0.3767848217      3.9179045149      0.7388725500
 C     -1.6088708280      3.5087177304      0.6004405691
 C     -2.4781142139      2.6159555850      0.5304311002
 C     -3.1258936791      1.4520722733      0.2612745155
 C     -3.2660453012      0.2573867783     -0.0222589537
 C     -3.1419215181     -0.9866345407     -0.4287477304
 C     -2.8870481546     -2.1656120323     -0.6532219715
 C     -2.1081752689     -3.3090169520     -0.7241699332
 C     -1.0169067582     -3.8384894892     -0.7182537479
 C      0.3454378319     -3.8296074192     -0.6310274417
 C      1.5233204078     -3.5288925246     -0.4424893694
 C      2.5566956426     -2.6206374577     -0.3161007502
 C      3.0375500296     -1.4888299868     -0.1990442457
 C      3.3480397860     -0.2174084518      0.0472097499
 C      3.3853230727      1.0261865696      0.1478174880
 C      2.8711255780      2.2335326371      0.4512946572
 C      2.0452275410      3.1064808430      0.6181214554
18
# ORCA AIMD Position Step 197, t=197.00 fs, E_Pot=-685.23101525 Hartree, Unit is Angstrom
 C      0.8217266017      3.7203586001      0.7545776003
 C     -0.3769392212      3.9130771226      0.7435712901
 C     -1.6087530220      3.5046676709      0.6005941711
 C     -2.4747232691      2.6156933642      0.5344635302
 C     -3.1284997185      1.4562810566      0.2560392088
 C     -3.2627500294      0.2623718009     -0.0247838609
 C     -3.1460802559     -0.9847402740     -0.4264704209
 C     -2.8936693442     -2.1650766694     -0.6520799434
 C     -2.1040058622     -3.3048383168     -0.7242057661
 C     -1.0111659430     -3.8368524645     -0.7173886423
 C      0.3442667618     -3.8240102434     -0.6427201588
 C      1.5212615478     -3.5231339260     -0.4535766109
 C      2.5535803606     -2.6312473063     -0.3213271347
 C      3.0337872408     -1.4899456288     -0.1934107937
 C      3.3487986778     -0.2214896502      0.0528939934
 C      3.3825941823      1.0226922389      0.1454163955
 C      2.8740205005      2.2306132200      0.4559422289
 C      2.0497375827      3.1141863753      0.6232062439
18
# ORCA AIMD Position Step 198, t=198.00 fs, E_Pot=-685.23276003 Hartree, Unit is Angstrom
 C      0.8239430739      3.7135485822      0.7580518417
 C     -0.3755238812      3.9086882561      0.7483489210
 C     -1.6117138812      3.4986346630      0.6007737652
 C     -2.4708116425      2.6162799177      0.5382148338
 C     -3.1306440261      1.4599684828      0.2507863561
 C     -3.2595574205      0.2696977054     -0.0270168455
 C     -3.1503666315     -0.9849842234     -0.4244226702
 C     -2.8996615455     -2.1649557238     -0.6507376215
 C     -2.1005758958     -3.2992153598     -0.7243207814
 C     -1.0048510227     -3.8351484529     -0.7165485492
 C      0.3436597988     -3.8187475939     -0.6541153332
 C      1.5188145656     -3.5168833908     -0.4649869816
 C      2.5503867196     -2.6405052873     -0.3263780961
 C      3.0295356063     -1.4933585996     -0.1878494609
 C      3.3498982551     -0.2231584499      0.0584288035
 C      3.3796376046      1.0171374703      0.1432913743
 C      2.8767466877      2.2278938595      0.4603797060
 C      2.0533503339      3.1223073552      0.6284709172
18
# ORCA AIMD Position Step 199, t=199.00 fs, E_Pot=-685.23467369 Hartree, Unit is Angstrom
 C      0.8275225332      3.7066204763      0.7614098530
 C     -0.3726405456      3.9046785026      0.7531716073
 C     -1.6170655646      3.4911405129      0.6010654476
 C     -2.4668639930      2.6172676813      0.5415945866
 C     -3.1322531018      1.4634119005      0.2456262053
 C     -3.2565235732      0.2788312896     -0.0290917697
 C     -3.1547959159     -0.9871158060     -0.4225534232
 C     -2.9049382663     -2.1652910220     -0.6491939936
 C     -2.0976706342     -3.2923091247     -0.7245010826
 C     -0.9985351042     -3.8332017660     -0.7157862362
 C      0.3437183713     -3.8138797505     -0.6651814409
 C      1.5159179504     -3.5103437419     -0.4767052743
 C      2.5474843363     -2.6478261638     -0.3311529475
 C      3.0247271803     -1.4992449182     -0.1824156477
 C      3.3512665598     -0.2229031933      0.0637297188
 C      3.3764430801      1.0099681210      0.1415407310
 C      2.8789925034      2.2256951474      0.4646366850
 C      2.0565594630      3.1303027120      0.6338079152
18
# ORCA AIMD Position Step 200, t=200.00 fs, E_Pot=-685.23563749 Hartree, Unit is Angstrom
 C      0.8320695224      3.6997480073      0.7646797452
 C     -0.3685193779      3.9009387787      0.7579871166
 C     -1.6237948453      3.4829236110      0.6015858993
 C     -2.4635089756      2.6180717733      0.5445082230
 C     -3.1332623441      1.4669731405      0.2406876563
 C     -3.2537069084      0.2889964727     -0.0312032935
 C     -3.1594057233     -0.9906888319     -0.4207647643
 C     -2.9094517185     -2.1661118823     -0.6474548188
 C     -2.0949472191     -3.2843951259     -0.7247370400
 C     -0.9928694913     -3.8308066128     -0.7151500389
 C      0.3445048333     -3.8094661326     -0.6759009725
 C      1.5125572750     -3.5037077715     -0.4887096905
 C      2.5451411843     -2.6528555305     -0.3355764213
 C      3.0194220458     -1.5074339523     -0.1771162191
 C      3.3527987299     -0.2215328340      0.0686812474
 C      3.3729887622      1.0018581146      0.1402788941
 C      2.8804816641      2.2242969084      0.4687342962
 C      2.0599283843      3.1376070074      0.6391028535
18
# ORCA AIMD Position Step 201, t=201.00 fs, E_Pot=-685.23525744 Hartree, Unit is Angstrom
 C      0.8371389050      3.6931131560      0.7678959177
 C     -0.3634690432      3.8973307834      0.7627373880
 C     -1.6307235152      3.4748358368      0.6024669930
 C     -2.4614288656      2.6180623054      0.5468718297
 C     -3.1336327578      1.4710266510      0.2360942412
 C     -3.2511666266      0.2992985878     -0.0335744553
 C     -3.1642471607     -0.9951433941     -0.4189333393
 C     -2.9131963717     -2.1674286688     -0.6455284390
 C     -2.0920192647     -3.2758026722     -0.7250235541
 C     -0.9884643394     -3.8277653190     -0.7146812789
 C      0.3460040166     -3.8055651961     -0.6862808575
 C      1.5087941005     -3.4971288050     -0.5009766134
 C      2.5434909175     -2.6555087537     -0.3396124887
 C      3.0137978845     -1.5174514064     -0.1719084384
 C      3.3543715196     -0.2200494874      0.0731592890
 C      3.3692420638      0.9936185121      0.1396248429
 C      2.8810259136      2.2238787931      0.4726779143
 C      2.0639930213      3.1437229601      0.6442554099
18
# ORCA AIMD Position Step 202, t=202.00 fs, E_Pot=-685.23407328 Hartree, Unit is Angstrom
 C      0.8423209907      3.6868800495      0.7710945097
 C     -0.3578283763      3.8937102785      0.7673675908
 C     -1.6367104325      3.4676963133      0.6038360598
 C     -2.4612280655      2.6167007549      0.5486282505
 C     -3.1333681110      1.4758683539      0.2319398798
 C     -3.2489598125      0.3088648750     -0.0364200889
 C     -3.1693730816     -0.9998973294     -0.4169337052
 C     -2.9162053952     -2.1692257081     -0.6434223161
 C     -2.0885420646     -3.2668546299     -0.7253587883
 C     -0.9857810887     -3.8239232985     -0.7144142478
 C      0.3480904463     -3.8022383202     -0.6963525512
 C      1.5047887532     -3.4906986906     -0.5134795859
 C      2.5425125218     -2.6559853575     -0.3432736527
 C      3.0081332424     -1.5285828576     -0.1667057952
 C      3.3558600945     -0.2194836578      0.0770510301
 C      3.3651629291      0.9860793462      0.1396908706
 C      2.8805593681      2.2244803415      0.4764513505
 C      2.0691681016      3.1482969003      0.6491957735
18
# ORCA AIMD Position Step 203, t=203.00 fs, E_Pot=-685.23303835 Hartree, Unit is Angstrom
 C      0.8473108008      3.6811767578      0.7743077624
 C     -0.3519313479      3.8899453636      0.7718321672
 C     -1.6408530313      3.4621292806      0.6057966208
 C     -2.4632773943      2.6137055340      0.5497640060
 C     -3.1325328185      1.4816140990      0.2282641152
 C     -3.2471378784      0.3169705416     -0.0399131825
 C     -3.1748261058     -1.0044260781     -0.4146582591
 C     -2.9185412934     -2.1714501423     -0.6411389758
 C     -2.0842852170     -3.2578166218     -0.7257430969
 C     -0.9850559782     -3.8191969251     -0.7143775168
 C      0.3505132548     -3.7995537989     -0.7061654632
 C      1.5008018825     -3.4844427370     -0.5261840486
 C      2.5420320285     -2.6547538891     -0.3466233932
 C      3.0027881178     -1.5399397902     -0.1613885340
 C      3.3571513056     -0.2207140583      0.0802712414
 C      3.3607095734      0.9799497171      0.1405712441
 C      2.8791571480      2.2259778630      0.4800127770
 C      2.0756717862      3.1511698140      0.6538941452
18
# ORCA AIMD Position Step 204, t=204.00 fs, E_Pot=-685.23271481 Hartree, Unit is Angstrom
 C      0.8519480413      3.6760860677      0.7775589361
 C     -0.3460889005      3.8859282420      0.7760964803
 C     -1.6426371960      3.4584318634      0.6084148146
 C     -2.4675814244      2.6091946961      0.5503228476
 C     -3.1312678251      1.4881128329      0.2250321277
 C     -3.2457420470      0.3231277440     -0.0441601716
 C     -3.1806273802     -1.0083154940     -0.4120313390
 C     -2.9202896030     -2.1739984099     -0.6386731671
 C     -2.0791846039     -3.2488653154     -0.7261772369
 C     -0.9862545896     -3.8135949486     -0.7145953324
 C      0.3529102156     -3.7975861728     -0.7157742469
 C      1.4971649153     -3.4783343484     -0.5390437898
 C      2.5417525899     -2.6524953430     -0.3497709856
 C      2.9981760475     -1.5505353388     -0.1558163242
 C      3.3581512808     -0.2242990549      0.0827743215
 C      3.3558471686      0.9756753221      0.1423315975
 C      2.8770411078      2.2280783540      0.4832915904
 C      2.0834771551      3.1524049763      0.6583641911
18
# ORCA AIMD Position Step 205, t=205.00 fs, E_Pot=-685.23289137 Hartree, Unit is Angstrom
 C      0.8562240286      3.6716452717      0.7808595152
 C     -0.3405763276      3.8815808372      0.7801364540
 C     -1.6419947657      3.4565236705      0.6117108448
 C     -2.4737284041      2.6037372680      0.5504134804
 C     -3.1297962738      1.4949118417      0.2221264678
 C     -3.2447991030      0.3271279653     -0.0491887639
 C     -3.1867685337     -1.0112948770     -0.4090169030
 C     -2.9215549471     -2.1767060199     -0.6360105221
 C     -2.0733706563     -3.2400715962     -0.7266610696
 C     -0.9890629336     -3.8072305694     -0.7150895726
 C      0.3548597365     -3.7964067970     -0.7252250737
 C      1.4942168898     -3.4723234856     -0.5520030830
 C      2.5413148448     -2.6499961791     -0.3528550770
 C      2.9947177649     -1.5593971486     -0.1498495346
 C      3.3587899527     -0.2303558213      0.0845619416
 C      3.3505582200      0.9733336548      0.1449985068
 C      2.8745680183      2.2303332970      0.4861925993
 C      2.0923027217      3.1522881602      0.6626616062
18
# ORCA AIMD Position Step 206, t=206.00 fs, E_Pot=-685.23295097 Hartree, Unit is Angstrom
 C      0.8602593362      3.6678491258      0.7842105525
 C     -0.3356165879      3.8768541133      0.7839405125
 C     -1.6392482941      3.4560020593      0.6156598817
 C     -2.4809612020      2.5982689675      0.5502029647
 C     -3.1284067010      1.5013055572      0.2193568692
 C     -3.2443207202      0.3290279364     -0.0549530610
 C     -3.1932113326     -1.0132494696     -0.4056195918
 C     -2.9224575184     -2.1793496243     -0.6331270738
 C     -2.0671647068     -3.2313944568     -0.7271924484
 C     -0.9929206641     -3.8003190092     -0.7158803809
 C      0.3559631873     -3.7960665311     -0.7345478934
 C      1.4922206775     -3.4663704979     -0.5650107864
 C      2.5403864874     -2.6479849625     -0.3560162350
 C      2.9927695722     -1.5657288369     -0.1433743240
 C      3.3590237492     -0.2385343998      0.0856863325
 C      3.3448496881      0.9726101444      0.1485561149
 C      2.8721947548      2.2321815000      0.4886046754
 C      2.1016512357      3.1512949821      0.6668782202
18
# ORCA AIMD Position Step 207, t=207.00 fs, E_Pot=-685.23259651 Hartree, Unit is Angstrom
 C      0.8642539925      3.6646614254      0.7876066881
 C     -0.3313620805      3.8717233451      0.7875104738
 C     -1.6349675291      3.4562799508      0.6202025259
 C     -2.4883492302      2.5938932763      0.5498929294
 C     -3.1274119926      1.5064659810      0.2164911305
 C     -3.2443066594      0.3290823778     -0.0613540914
 C     -3.1998945561     -1.0142106757     -0.4018797928
 C     -2.9231267776     -2.1816637773     -0.6299898538
 C     -2.0610377094     -3.2226930397     -0.7277672532
 C     -0.9971007611     -3.7931541352     -0.7169869450
 C      0.3559330758     -3.7965786623     -0.7437543261
 C      1.4912846786     -3.4604768035     -0.5780380244
 C      2.5387564016     -2.6469525342     -0.3593617154
 C      2.9925479389     -1.5690813691     -0.1363314561
 C      3.3588367985     -0.2480996682      0.0862451329
 C      3.3387544931      0.9728757587      0.1529499174
 C      2.8704146002      2.2330228860      0.4904169126
 C      2.1109023451      3.1500132586      0.6711296154
18
# ORCA AIMD Position Step 208, t=208.00 fs, E_Pot=-685.23217277 Hartree, Unit is Angstrom
 C      0.8684215602      3.6620326318      0.7910406248
 C     -0.3278802607      3.8661823492      0.7908594265
 C     -1.6297990823      3.4567429622      0.6252610740
 C     -2.4949953955      2.5916379729      0.5496794389
 C     -3.1270887200      1.5096190636      0.2133030741
 C     -3.2447516165      0.3276501566     -0.0682657808
 C     -3.2067430102     -1.0143241863     -0.3978631198
 C     -2.9236952910     -2.1833660709     -0.6265609105
 C     -2.0555320044     -3.2137655293     -0.7283790935
 C     -1.0008233057     -3.7860676567     -0.7184289141
 C      0.3546568498     -3.7979084693     -0.7528368843
 C      1.4913192739     -3.4547052249     -0.5910866970
 C      2.5363982645     -2.6470263359     -0.3629325883
 C      2.9940791557     -1.5694652653     -0.1287437157
 C      3.3582408883     -0.2580858697      0.0863709478
 C      3.3323303502      0.9733328629      0.1580966243
 C      2.8696714707      2.2323202941      0.4915385617
 C      2.1194385619      3.1490282784      0.6755329006
18
# ORCA AIMD Position Step 209, t=209.00 fs, E_Pot=-685.23237377 Hartree, Unit is Angstrom
 C      0.8729264739      3.6599161565      0.7945051755
 C     -0.3251456332      3.8602408873      0.7940081423
 C     -1.6243308812      3.4568694306      0.6307546985
 C     -2.5002124558      2.5922399997      0.5497058880
 C     -3.1276111472      1.5102193926      0.2096256791
 C     -3.2456515795      0.3251093009     -0.0755554453
 C     -3.2136771552     -1.0138090971     -0.3936521950
 C     -2.9242911362     -2.1841840593     -0.6228034147
 C     -2.0511575483     -3.2044122541     -0.7290191720
 C     -1.0033860047     -3.7793762646     -0.7202261576
 C      0.3522175809     -3.7999725742     -0.7617695678
 C      1.4920443553     -3.4491829459     -0.6041840939
 C      2.5334825723     -2.6479516936     -0.3666878677
 C      2.9971931306     -1.5673539766     -0.1207261111
 C      3.3572745824     -0.2674655781      0.0862150637
 C      3.3256576865      0.9731750166      0.1638952956
 C      2.8702690104      2.2297109687      0.4919191433
 C      2.1267710816      3.1487967513      0.6801791485
18
# ORCA AIMD Position Step 210, t=210.00 fs, E_Pot=-685.23364101 Hartree, Unit is Angstrom
 C      0.8778371042      3.6582804020      0.7979926511
 C     -0.3230400950      3.8539252820      0.7969808466
 C     -1.6190120026      3.4562961701      0.6366076536
 C     -2.5036318179      2.5960048098      0.5500261191
 C     -3.1290014533      1.5080799789      0.2053940362
 C     -3.2470073391      0.3217992250     -0.0830949795
 C     -3.2206200415     -1.0129163797     -0.3893397077
 C     -2.9250315966     -2.1838838909     -0.6186893288
 C     -2.0482786990     -3.1945110125     -0.7296771986
 C     -1.0042954446     -3.7733230651     -0.7223961066
 C      0.3488737282     -3.8026479152     -0.7705107431
 C      1.4930466979     -3.4440843584     -0.6173653238
 C      2.5303305169     -2.6491841230     -0.3705136900
 C      3.0015615309     -1.5635778969     -0.1124743959
 C      3.3560009517     -0.2752979717      0.0859303083
 C      3.3188356751      0.9717206500      0.1702363155
 C      2.8722976064      2.2251018276      0.4915664327
 C      2.1326384843      3.1495384178      0.6851072282
18
# ORCA AIMD Position Step 211, t=211.00 fs, E_Pot=-685.23577805 Hartree, Unit is Angstrom
 C      0.8831053195      3.6571129934      0.8014946598
 C     -0.3213631455      3.8472794809      0.7998028989
 C     -1.6141161102      3.4548427923      0.6427546858
 C     -2.5052407599      2.6027585516      0.5505879291
 C     -3.1311156018      1.5034204917      0.2006635740
 C     -3.2488251446      0.3179934460     -0.0907675130
 C     -3.2275061788     -1.0118904245     -0.3850202717
 C     -2.9260157284     -2.1822982718     -0.6142064391
 C     -2.0470175474     -3.1840785412     -0.7303421252
 C     -1.0033737738     -3.7680251381     -0.7249517060
 C      0.3450100667     -3.8057876245     -0.7790109006
 C      1.4938694436     -3.4395964531     -0.6306545686
 C      2.5273284167     -2.6500484547     -0.3742533767
 C      3.0067680583     -1.5591473987     -0.1042334314
 C      3.3545000333     -0.2808512738      0.0856545944
 C      3.3119752603      0.9685065892      0.1770109511
 C      2.8756050053      2.2187132721      0.4905556717
 C      2.1370548321      3.1511813986      0.6902884887
18
# ORCA AIMD Position Step 212, t=212.00 fs, E_Pot=-685.23803701 Hartree, Unit is Angstrom
 C      0.8885719680      3.6564206766      0.8050037375
 C     -0.3198485895      3.8403632697      0.8025014908
 C     -1.6097375455      3.4525048976      0.6491447600
 C     -2.5053538366      2.6119012455      0.5512457749
 C     -3.1336723225      1.4968153094      0.1955936744
 C     -3.2511151407      0.3138985273     -0.0984715653
 C     -3.2342929084     -1.0109346753     -0.3807804696
 C     -2.9273186064     -2.1793502881     -0.6093605067
 C     -2.0472084358     -3.1732970139     -0.7310064048
 C     -1.0008063803     -3.7634433399     -0.7278980314
 C      0.3410803036     -3.8092403766     -0.7872265977
 C      1.4941049043     -3.4358765752     -0.6440549724
 C      2.5248329321     -2.6499020309     -0.3777470806
 C      3.0123867324     -1.5550624392     -0.0962544043
 C      3.3528588982     -0.2836975406      0.0854967676
 C      3.3051870607      0.9633381607      0.1841222843
 C      2.8798247156      2.2110509821      0.4890256627
 C      2.1402981706      3.1533784475      0.6956300482
18
# ORCA AIMD Position Step 213, t=213.00 fs, E_Pot=-685.23957304 Hartree, Unit is Angstrom
 C      0.8940098846      3.6562186948      0.8085152541
 C     -0.3182087891      3.8332406319      0.8051034694
 C     -1.6057911141      3.4494340841      0.6557496336
 C     -2.5045250642      2.6225418595      0.5517889773
 C     -3.1363193845      1.4890719040      0.1904110652
 C     -3.2538904525      0.3096631963     -0.1061256285
 C     -3.2409710540     -1.0101937956     -0.3766905864
 C     -2.9289819995     -2.1750699612     -0.6041770900
 C     -2.0484427913     -3.1624804582     -0.7316644916
 C     -0.9970920316     -3.7593982385     -0.7312340915
 C      0.3375378798     -3.8128701032     -0.7951311152
 C      1.4934829147     -3.4330126520     -0.6575457760
 C      2.5230844703     -2.6482678034     -0.3808698407
 C      3.0180561406     -1.5521410413     -0.0887524586
 C      3.3511561193     -0.2837740541      0.0855247123
 C      3.2985695691      0.9563020664      0.1914975497
 C      2.8844579620      2.2028026028      0.4871587015
 C      2.1428228555      3.1555998109      0.7009959262
18
# ORCA AIMD Position Step 214, t=214.00 fs, E_Pot=-685.23989317 Hartree, Unit is Angstrom
 C      0.8991577617      3.6565278503      0.8120267525
 C     -0.3161494990      3.8259795790      0.8076404908
 C     -1.6020739293      3.4458822181      0.6625595632
 C     -2.5034335191      2.6336681764      0.5519864693
 C     -3.1386999421      1.4810599428      0.1853546636
 C     -3.2571647852      0.3054195046     -0.1136608378
 C     -3.2475703785     -1.0097323982     -0.3727993109
 C     -2.9310098633     -2.1696040892     -0.5986983258
 C     -2.0501499536     -3.1520235282     -0.7323182738
 C     -0.9929519321     -3.7556101712     -0.7349502552
 C      0.3347989593     -3.8165678835     -0.8027216624
 C      1.4919004284     -3.4310080477     -0.6710819027
 C      2.5221761821     -2.6448865203     -0.3835532669
 C      3.0235164280     -1.5509295298     -0.0818842903
 C      3.3494544419     -0.2814055141      0.0857605781
 C      3.2921977707      0.9477544977      0.1990971319
 C      2.8889644353      2.1947251394      0.4851544357
 C      2.1451713334      3.1572357935      0.7062318698
18
# ORCA AIMD Position Step 215, t=215.00 fs, E_Pot=-685.23908314 Hartree, Unit is Angstrom
 C      0.9037825657      3.6573645320      0.8155397616
 C     -0.3134104301      3.8186471896      0.8101447196
 C     -1.5983304581      3.4421380055      0.6695794452
 C     -2.5027602111      2.6443120329      0.5516211876
 C     -3.1405082161      1.4735681133      0.1806362587
 C     -3.2609500008      0.3013209549     -0.1210142395
 C     -3.2541539123     -1.0095493770     -0.3691337491
 C     -2.9333670667     -2.1632020119     -0.5929812764
 C     -2.0517217839     -3.1423259824     -0.7329728823
 C     -0.9891834785     -3.7517635893     -0.7390330209
 C      0.3331978992     -3.8202587919     -0.8100153974
 C      1.4894275347     -3.4297836939     -0.6845992835
 C      2.5220481624     -2.6397329091     -0.3857944799
 C      3.0286279685     -1.5516663806     -0.0757380309
 C      3.3477972577     -0.2772638697      0.0861829716
 C      3.2861196666      0.9382815483      0.2069151621
 C      2.8928471226      2.1875283432      0.4832064718
 C      2.1478671937      3.1577074621      0.7111897661
18
# ORCA AIMD Position Step 216, t=216.00 fs, E_Pot=-685.23765649 Hartree, Unit is Angstrom
 C      0.9077423511      3.6587275492      0.8190568993
 C     -0.3097967682      3.8113090908      0.8126499551
 C     -1.5943366574      3.4384548711      0.6768178159
 C     -2.5030816588      2.6536656257      0.5505144719
 C     -3.1415128617      1.4672171384      0.1764149223
 C     -3.2652544951      0.2975738341     -0.1281195874
 C     -3.2608143576     -1.0095706646     -0.3656993375
 C     -2.9359717633     -2.1562190374     -0.5870983770
 C     -2.0526252420     -3.1337224213     -0.7336348346
 C     -0.9865126101     -3.7475686355     -0.7434660857
 C      0.3329420590     -3.8239031195     -0.8170463646
 C      1.4862914586     -3.4291873920     -0.6980156835
 C      2.5224994030     -2.6330062879     -0.3876592156
 C      3.0333702184     -1.5542922250     -0.0703333311
 C      3.3462146468     -0.2723008485      0.0867333381
 C      3.2803530163      0.9286626549      0.2149815907
 C      2.8957161052      2.1817770415      0.4814786220
 C      2.1513203004      3.1565582901      0.7157483471
18
# ORCA AIMD Position Step 217, t=217.00 fs, E_Pot=-685.23628177 Hartree, Unit is Angstrom
 C      0.9110261406      3.6605909703      0.8225813453
 C     -0.3052053666      3.8040281739      0.8151880610
 C     -1.5899797882      3.4349834682      0.6842740356
 C     -2.5047753801      2.6611743013      0.5485454733
 C     -3.1415698862      1.4624088929      0.1727840997
 C     -3.2700797911      0.2944536312     -0.1349010730
 C     -3.2676624491     -1.0096719971     -0.3624843233
 C     -2.9386995463     -2.1490899522     -0.5811349701
 C     -2.0524840783     -3.1264328162     -0.7343064256
 C     -0.9854789231     -3.7428069622     -0.7482364581
 C      0.3340807865     -3.8274959560     -0.8238576092
 C      1.4828389969     -3.4290156461     -0.7112375237
 C      2.5232232021     -2.6250952485     -0.3892721969
 C      3.0378259222     -1.5584980342     -0.0656311401
 C      3.3447305246     -0.2676209789      0.0873303983
 C      3.2748917581      0.9197770129      0.2233508828
 C      2.8973241899      2.1778436202      0.4800946633
 C      2.1557671920      3.1535129253      0.7198261058
18
# ORCA AIMD Position Step 218, t=218.00 fs, E_Pot=-685.23546787 Hartree, Unit is Angstrom
 C      0.9137969849      3.6628923754      0.8261129531
 C     -0.2996551706      3.7968646460      0.8177870357
 C     -1.5853098562      3.4317323543      0.6919250635
 C     -2.5079681968      2.6665619679      0.5456577936
 C     -3.1406150432      1.4593382697      0.1697762241
 C     -3.2754194851      0.2922945833     -0.1412712903
 C     -3.2748152034     -1.0096909830     -0.3594650721
 C     -2.9413875474     -2.1423058304     -0.5751873979
 C     -2.0511396106     -3.1205289613     -0.7349799855
 C     -0.9863309739     -3.7373712878     -0.7533376408
 C      0.3364697552     -3.8310610512     -0.8304933840
 C      1.4795074905     -3.4290262280     -0.7241605612
 C      2.5238296740     -2.6165550270     -0.3908140767
 C      3.0421631577     -1.5637835344     -0.0615409547
 C      3.3433687007     -0.2643061500      0.0878886176
 C      3.2697157597      0.9124852330      0.2320867457
 C      2.8975941653      2.1758597474      0.4791266515
 C      2.1612154684      3.1485296254      0.7233932234
18
# ORCA AIMD Position Step 219, t=219.00 fs, E_Pot=-685.23535061 Hartree, Unit is Angstrom
 C      0.9163938856      3.6655332332      0.8296463759
 C     -0.2933007287      3.7898759204      0.8204711113
 C     -1.5805519375      3.4285651140      0.6997158447
 C     -2.5125235992      2.6698254879      0.5418664040
 C     -3.1386553508      1.4580204317      0.1673700488
 C     -3.2812568365      0.2914515390     -0.1471364475
 C     -3.2823781963     -1.0094549847     -0.3566147859
 C     -2.9438498694     -2.1363632140     -0.5693546722
 C     -2.0486802958     -3.1159212200     -0.7356366691
 C     -0.9889799486     -3.7312874565     -0.7587699151
 C      0.3397763380     -3.8346421455     -0.8369948822
 C      1.4767797492     -3.4289628342     -0.7366721877
 C      2.5238883548     -2.6080526328     -0.3925030537
 C      3.0466048311     -1.5695374303     -0.0579372674
 C      3.3421532166     -0.2632040726      0.0883417998
 C      3.2648064084      0.9074591776      0.2412379599
 C      2.8966285463      2.1756963481      0.4785882723
 C      2.1674270193      3.1418253983      0.7264771278
18
# ORCA AIMD Position Step 220, t=220.00 fs, E_Pot=-685.23567948 Hartree, Unit is Angstrom
 C      0.9192778132      3.6683886528      0.8331721438
 C     -0.2864167069      3.7831120572      0.8232576614
 C     -1.5760633100      3.4252329755      0.7075571314
 C     -2.5180767924      2.6711961717      0.5372555376
 C     -3.1357597228      1.4583298151      0.1655028184
 C     -3.2875660865      0.2922476209     -0.1524056931
 C     -3.2904255896     -1.0088262022     -0.3539134629
 C     -2.9459085900     -2.1316854778     -0.5637245711
 C     -2.0454328678     -3.1123692174     -0.7362447103
 C     -0.9930041117     -3.7247202105     -0.7645422627
 C      0.3435349760     -3.8382876087     -0.8433952160
 C      1.4751142720     -3.4285840036     -0.7486603548
 C      2.5229832752     -2.6002798587     -0.3945693126
 C      3.0513858202     -1.5751470537     -0.0546821687
 C      3.3411048848     -0.2647201060      0.0886727961
 C      3.2601647849      0.9049896300      0.2508052400
 C      2.8947135303      2.1769724461      0.4784319496
 C      2.1739318332      3.1338851405      0.7291694096
18
# ORCA AIMD Position Step 221, t=221.00 fs, E_Pot=-685.23601553 Hartree, Unit is Angstrom
 C      0.9229585781      3.6713208085      0.8366782705
 C     -0.2793654269      3.7766082813      0.8261579976
 C     -1.5722556617      3.4214337195      0.7153373447
 C     -2.5241103972      2.6710686501      0.5319652084
 C     -3.1320451023      1.4600526579      0.1640848453
 C     -3.2943164592      0.2949180858     -0.1570046040
 C     -3.2989854908     -1.0077348660     -0.3513536348
 C     -2.9474287846     -2.1285502883     -0.5583612536
 C     -2.0419193333     -3.1095154875     -0.7367615775
 C     -0.9977041754     -3.7179580194     -0.7706725902
 C      0.3472353559     -3.8420311342     -0.8497173342
 C      1.4748717274     -3.4276954627     -0.7600284420
 C      2.5207766535     -2.5938413811     -0.3972185565
 C      3.0567009981     -1.5801187427     -0.0516545209
 C      3.3402365170     -0.2687163087      0.0889330354
 C      3.2558244870      0.9048939040      0.2607226748
 C      2.8922926544      2.1790924059      0.4785537342
 C      2.1800804655      3.1254260725      0.7316195366
18
# ORCA AIMD Position Step 222, t=222.00 fs, E_Pot=-685.23608436 Hartree, Unit is Angstrom
 C      0.9278916802      3.6742020155      0.8401541369
 C     -0.2725357074      3.7703775549      0.8291783454
 C     -1.5695021754      3.4168766446      0.7229373056
 C     -2.5300481948      2.6699212557      0.5261722208
 C     -3.1276638198      1.4629354607      0.1630140611
 C     -3.3014790609      0.2995622317     -0.1608877269
 C     -3.3080310143     -1.0062011109     -0.3489445436
 C     -2.9483481854     -2.1270322981     -0.5532940758
 C     -2.0387727108     -3.1069423312     -0.7371398941
 C     -1.0022171591     -3.7113707232     -0.7771840826
 C      0.3504337064     -3.8458723529     -0.8559758393
 C      1.4762394150     -3.4261822385     -0.7707082673
 C      2.5170728501     -2.5891417100     -0.4005930943
 C      3.0626543786     -1.5841881228     -0.0487820260
 C      3.3395513682     -0.2745523465      0.0892423767
 C      3.2518524833      0.9065499120      0.2708588666
 C      2.8899127959      2.1813273360      0.4788078406
 C      2.1851380047      3.1173109112      0.7340199035
18
# ORCA AIMD Position Step 223, t=223.00 fs, E_Pot=-685.23601902 Hartree, Unit is Angstrom
 C      0.9343711574      3.6769356494      0.8435935999
 C     -0.2662722606      3.7644066756      0.8323200877
 C     -1.5680559804      3.4113391614      0.7302482695
 C     -2.5353455354      2.6682403356      0.5200677246
 C     -3.1227882905      1.4667253331      0.1621878250
 C     -3.3090312116      0.3061136532     -0.1640466496
 C     -3.3174803548     -1.0043297722     -0.3467110804
 C     -2.9486964307     -2.1269823280     -0.5485103280
 C     -2.0366121473     -3.1042514339     -0.7373317019
 C     -1.0056704820     -3.7053413676     -0.7841065416
 C      0.3528434671     -3.8497622465     -0.8621779262
 C      1.4791802994     -3.4240369347     -0.7806707478
 C      2.5118661308     -2.5863060908     -0.4047416381
 C      3.0692229629     -1.5873783467     -0.0460638159
 C      3.3390457137     -0.2812607624      0.0897689318
 C      3.2483433004      0.9090506490      0.2810371257
 C      2.8881333558      2.1829429213      0.4790367427
 C      2.1884096858      3.1104095414      0.7365738221
18
# ORCA AIMD Position Step 224, t=224.00 fs, E_Pot=-685.23625833 Hartree, Unit is Angstrom
 C      0.9424400575      3.6794683265      0.8469926926
 C     -0.2608139699      3.7586587181      0.8355853294
 C     -1.5679959164      3.4047093413      0.7371863427
 C     -2.5395549101      2.6664639060      0.5138379612
 C     -3.1175981893      1.4711991020      0.1615112319
 C     -3.3169599444      0.3143303717     -0.1665099824
 C     -3.3272049075     -1.0022792573     -0.3446879497
 C     -2.9485948986     -2.1280512903     -0.5439621100
 C     -2.0359042480     -3.1011571976     -0.7372989145
 C     -1.0073490285     -3.7001846306     -0.7914663734
 C      0.3543831350     -3.8535983320     -0.8683231585
 C      1.4834224098     -3.4213671548     -0.7899269737
 C      2.5053528340     -2.5851661310     -0.4096051877
 C      3.0762519057     -1.5899785676     -0.0435777084
 C      3.3387137343     -0.2877832325      0.0906964749
 C      3.2454027693      0.9114052860      0.2910628566
 C      2.8874128170      2.1833592722      0.4791118630
 C      2.1893866153      3.1054272955      0.7394487105
18
# ORCA AIMD Position Step 225, t=225.00 fs, E_Pot=-685.23698523 Hartree, Unit is Angstrom
 C      0.9518465645      3.6818053688      0.8503551261
 C     -0.2562654531      3.7530772459      0.8389712381
 C     -1.5691967236      3.3970042930      0.7436983388
 C     -2.5423720067      2.6649385641      0.5076460317
 C     -3.1122731950      1.4761736870      0.1609045497
 C     -3.3252594581      0.3238116208     -0.1683394911
 C     -3.3370440450     -1.0002155011     -0.3429123392
 C     -2.9482420972     -2.1297470631     -0.5395765440
 C     -2.0368402248     -3.0975583716     -0.7370251882
 C     -1.0068344020     -3.6960762339     -0.7992719093
 C      0.3551660341     -3.8572329429     -0.8744069750
 C      1.4884955501     -3.4183871989     -0.7985210852
 C      2.4979059251     -2.5853140394     -0.4150323255
 C      3.0834837716     -1.5924496595     -0.0414599682
 C      3.3385506563     -0.2931965031      0.0921871529
 C      3.2431322877      0.9127372451      0.3007569305
 C      2.8879960194      2.1822935451      0.4789734515
 C      2.1878805812      3.1027387807      0.7427330499
18
# ORCA AIMD Position Step 226, t=226.00 fs, E_Pot=-685.23784778 Hartree, Unit is Angstrom
 C      0.9620528475      3.6840090722      0.8536895279
 C     -0.2526027866      3.7475959232      0.8424737718
 C     -1.5713316974      3.3883777951      0.7497690286
 C     -2.5436567544      2.6638971285      0.5016222474
 C     -3.1069859733      1.4815069168      0.1603025938
 C     -3.3339290744      0.3340333115     -0.1696224673
 C     -3.3468251045     -0.9982666698     -0.3414147748
 C     -2.9478857799     -2.1315088111     -0.5352698826
 C     -2.0392712661     -3.0935720114     -0.7365221984
 C     -1.0040850392     -3.6930101767     -0.8075058471
 C      0.3554482919     -3.8604961872     -0.8804229551
 C      1.4938063216     -3.4153885630     -0.8065240314
 C      2.4900174870     -2.5861967437     -0.4208069741
 C      3.0906125456     -1.5952836808     -0.0398742994
 C      3.3385513129     -0.2968833431      0.0943557587
 C      3.2416128500      0.9124139527      0.3099771143
 C      2.8898534591      2.1798349901      0.4786571496
 C      2.1841011432      3.1022923547      0.7464048299
18
# ORCA AIMD Position Step 227, t=227.00 fs, E_Pot=-685.23807836 Hartree, Unit is Angstrom
 C      0.9722998962      3.6861989225      0.8570123834
 C     -0.2497076354      3.7421451398      0.8460887443
 C     -1.5738994065      3.3791033522      0.7554243310
 C     -2.5434360660      2.6634471452      0.4958522242
 C     -3.1018971824      1.4870866379      0.1596523558
 C     -3.3429721944      0.3444120398     -0.1704601678
 C     -3.3563879633     -0.9964887347     -0.3402103383
 C     -2.9477865493     -2.1327873015     -0.5309604487
 C     -2.0427372087     -3.0895066885     -0.7358349380
 C     -0.9994208817     -3.6908055729     -0.8161211022
 C      0.3555564834     -3.8632239784     -0.8863689813
 C      1.4987309917     -3.4126966529     -0.8140233165
 C      2.4822208624     -2.5872240268     -0.4266914658
 C      3.0973480346     -1.5988733183     -0.0389737682
 C      3.3387085130     -0.2986298783      0.0972525816
 C      3.2408895297      0.9101268543      0.3186383677
 C      2.8926990546      2.1764038793      0.4782883978
 C      2.1786419594      3.1036249386      0.7503356280
18
# ORCA AIMD Position Step 228, t=228.00 fs, E_Pot=-685.23711173 Hartree, Unit is Angstrom
 C      0.9817072333      3.6885378171      0.8603471807
 C     -0.2474154235      3.7366610173      0.8498163111
 C     -1.5762762066      3.3695449386      0.7607312550
 C     -2.5418832492      2.6635847111      0.4903748118
 C     -3.0971550358      1.4928018295      0.1589016632
 C     -3.3523930562      0.3543810716     -0.1709519918
 C     -3.3656063124     -0.9948494187     -0.3392957668
 C     -2.9481809006     -2.1331104796     -0.5265768722
 C     -2.0465710762     -3.0857906369     -0.7350350253
 C     -0.9934309552     -3.6891559430     -0.8250490763
 C      0.3558172394     -3.8652807428     -0.8922536097
 C      1.5027099218     -3.4106252550     -0.8211151380
 C      2.4750184928     -2.5878602720     -0.4324631272
 C      3.1034607770     -1.6034275211     -0.0388745017
 C      3.3390131149     -0.2986389147      0.1008616255
 C      3.2409644558      0.9059045676      0.3267216564
 C      2.8960796965      2.1726227153      0.4780518314
 C      2.1723747596      3.1059759727      0.7543235988
18
# ORCA AIMD Position Step 229, t=229.00 fs, E_Pot=-685.23506190 Hartree, Unit is Angstrom
 C      0.9893955283      3.6912101786      0.8637261066
 C     -0.2455653364      3.7310891163      0.8536605833
 C     -1.5777873376      3.3601068777      0.7657903665
 C     -2.5392693338      2.6642218524      0.4851842310
 C     -3.0928967606      1.4985305607      0.1579961541
 C     -3.3621962100      0.3634579003     -0.1711840895
 C     -3.3743984048     -0.9932443235     -0.3386509012
 C     -2.9492378121     -2.1321448226     -0.5220694064
 C     -2.0500596564     -3.0828584861     -0.7342040596
 C     -0.9868355482     -3.6877007337     -0.8342113531
 C      0.3565059067     -3.8665768480     -0.8980959623
 C      1.5053159201     -3.4094341528     -0.8278956418
 C      2.4688159922     -2.5876953323     -0.4379469676
 C      3.1088126571     -1.6089469890     -0.0396416872
 C      3.3394576523     -0.2974744003      0.1051105867
 C      3.2417976012      0.9000912376      0.3342723447
 C      2.8994970738      2.1691394626      0.4781504943
 C      2.1662814368      3.1084717998      0.7581394505
18
# ORCA AIMD Position Step 230, t=230.00 fs, E_Pot=-685.23275244 Hartree, Unit is Angstrom
 C      0.9946036914      3.6943946917      0.8671856955
 C     -0.2440195878      3.7253930539      0.8576324646
 C     -1.5777987867      3.3511819704      0.7707195726
 C     -2.5359046087      2.6652334497      0.4802439194
 C     -3.0892599977      1.5040948280      0.1568653634
 C     -3.3723784029      0.3713111549     -0.1712126050
 C     -3.3827274775     -0.9915201803     -0.3382432128
 C     -2.9510424175     -2.1297132208     -0.5174134139
 C     -2.0525562393     -3.0810767664     -0.7334220926
 C     -0.9803796569     -3.6860851668     -0.8435280563
 C      0.3578157267     -3.8670760223     -0.9039283622
 C      1.5063048492     -3.4092951746     -0.8344451078
 C      2.4638874502     -2.5864769850     -0.4430340311
 C      3.1133527389     -1.6152636843     -0.0412895849
 C      3.3400411431     -0.2959353348      0.1098876987
 C      3.2433157969      0.8932654084      0.3413872313
 C      2.9025016133      2.1665014616      0.4787695787
 C      2.1612937175      3.1102794575      0.7615695319
18
# ORCA AIMD Position Step 231, t=231.00 fs, E_Pot=-685.23129861 Hartree, Unit is Angstrom
 C      0.9968017222      3.6982227532      0.8707594909
 C     -0.2426825126      3.7195604551      0.8617478199
 C     -1.5758028225      3.3430996018      0.7756306184
 C     -2.5320689230      2.6665061886      0.4755092627
 C     -3.0863889697      1.5092557232      0.1554228201
 C     -3.3829214839      0.3777820053     -0.1710593188
 C     -3.3905911627     -0.9895102547     -0.3380342267
 C     -2.9535804059     -2.1258038202     -0.5126147672
 C     -2.0535781555     -3.0806779626     -0.7327523544
 C     -0.9747374195     -3.6840083076     -0.8529246382
 C      0.3598341399     -3.8667947281     -0.9097915450
 C      1.5056372978     -3.4102705636     -0.8408134886
 C      2.4603551621     -2.5841321807     -0.4476904454
 C      3.1171063714     -1.6220925440     -0.0437873634
 C      3.3407728585     -0.2949067307      0.1150629592
 C      3.2454278526      0.8861356149      0.3481906490
 C      2.9047556889      2.1650759695      0.4800535299
 C      2.1581419000      3.1107424823      0.7644466285
18
# ORCA AIMD Position Step 232, t=232.00 fs, E_Pot=-685.23146414 Hartree, Unit is Angstrom
 C      0.9957869431      3.7027358005      0.8744669592
 C     -0.2415113999      3.7136114673      0.8660224762
 C     -1.5714979554      3.3360859786      0.7806009445
 C     -2.5279546602      2.6679789023      0.4709532791
 C     -3.0844356177      1.5137221895      0.1535730107
 C     -3.3937798223      0.3828704821     -0.1707144986
 C     -3.3980032547     -0.9870642022     -0.3379847647
 C     -2.9567361011     -2.1205629915     -0.5077146550
 C     -2.0528627823     -3.0817257422     -0.7322303751
 C     -0.9704447648     -3.6812557736     -0.8623292944
 C      0.3625164118     -3.8658015555     -0.9157265831
 C      1.5034877778     -3.4123004055     -0.8470067029
 C      2.4581879579     -2.5807734957     -0.4519555952
 C      3.1201604612     -1.6290735305     -0.0470622260
 C      3.3416703367     -0.2952026029      0.1205081081
 C      3.2480382995      0.8794187992      0.3548015286
 C      2.9060660297      2.1650142699      0.4820923317
 C      2.1572399705      3.1094754007      0.7666678788
18
# ORCA AIMD Position Step 233, t=233.00 fs, E_Pot=-685.23314984 Hartree, Unit is Angstrom
 C      0.9917548293      3.7078549990      0.8783032750
 C     -0.2405218590      3.7076050165      0.8704671296
 C     -1.5648539847      3.3302374333      0.7856498143
 C     -2.5236337289      2.6696614489      0.4665873203
 C     -3.0835480390      1.5171871341      0.1512264065
 C     -3.4048726970      0.3867036474     -0.1701472863
 C     -3.4049779835     -0.9840730731     -0.3380589306
 C     -2.9603027801     -2.1142779515     -0.5027902872
 C     -2.0503961542     -3.0841010653     -0.7318586022
 C     -0.9678419133     -3.6777242161     -0.8716687342
 C      0.3656590268     -3.8642155109     -0.9217677145
 C      1.5002401395     -3.4152008878     -0.8529795694
 C      2.4572090558     -2.5766948965     -0.4559348153
 C      3.1226529474     -1.6358032743     -0.0509983404
 C      3.3427531143     -0.2974090720      0.1261158573
 C      3.2510589812      0.8737096923      0.3613000401
 C      2.9064018871      2.1662362304      0.4849101964
 C      2.1586089704      3.1064248723      0.7682071273
18
# ORCA AIMD Position Step 234, t=234.00 fs, E_Pot=-685.23536976 Hartree, Unit is Angstrom
 C      0.9853117532      3.7133850759      0.8822418837
 C     -0.2397978304      3.7016370255      0.8750870567
 C     -1.5561321023      3.3255028299      0.7907311003
 C     -2.5190668365      2.6716037506      0.4624548585
 C     -3.0838329389      1.5194166924      0.1483249568
 C     -3.4160972601      0.3894788461     -0.1693212695
 C     -3.4115271486     -0.9804781201     -0.3382241907
 C     -2.9639976804     -2.1073442805     -0.4979467535
 C     -2.0464405939     -3.0874938355     -0.7316004095
 C     -0.9670201393     -3.6734367918     -0.8808802812
 C      0.3688901564     -3.8622068291     -0.9279431714
 C      1.4964715204     -3.4186738035     -0.8586452657
 C      2.4571147010     -2.5723410484     -0.4597881541
 C      3.1247637965     -1.6418618746     -0.0554443659
 C      3.3440350734     -0.3017865408      0.1318207839
 C      3.2544180998      0.8693734388      0.3677103733
 C      2.9059111124      2.1684197835      0.4884605792
 C      2.1618645105      3.1018932505      0.7691214227
18
# ORCA AIMD Position Step 235, t=235.00 fs, E_Pot=-685.23679981 Hartree, Unit is Angstrom
 C      0.9773899417      3.7190537050      0.8862416730
 C     -0.2394682485      3.6958225659      0.8798898382
 C     -1.5458477381      3.3216962103      0.7957463701
 C     -2.5141248191      2.6738706836      0.4586195378
 C     -3.0853365890      1.5203033501      0.1448520113
 C     -3.4273573729      0.3914279613     -0.1682063380
 C     -3.4176649348     -0.9762834715     -0.3384559716
 C     -2.9675117443     -2.1001988837     -0.4932960468
 C     -2.0414964267     -3.0914464495     -0.7313835306
 C     -0.9677971700     -3.6685379644     -0.8899302706
 C      0.3717104829     -3.8599710466     -0.9342832579
 C      1.4928623556     -3.4223574592     -0.8638991376
 C      2.4575266480     -2.5682380151     -0.4637120488
 C      3.1266964804     -1.6468742034     -0.0602323199
 C      3.3455215177     -0.3081963543      0.1376204874
 C      3.2580713446      0.8664604204      0.3740001725
 C      2.9049050319      2.1710343073      0.4926325933
 C      2.1662851286      3.0964896139      0.7695477510
18
# ORCA AIMD Position Step 236, t=236.00 fs, E_Pot=-685.23659357 Hartree, Unit is Angstrom
 C      0.9690919942      3.7245681882      0.8902587912
 C     -0.2396732735      3.6902840559      0.8848912506
 C     -1.5346861640      3.3185366055      0.8005664673
 C     -2.5086474685      2.6764875581      0.4551410007
 C     -3.0880271451      1.5199152307      0.1408401740
 C     -3.4385858772      0.3927675906     -0.1667871990
 C     -3.4234070098     -0.9715579277     -0.3387394582
 C     -2.9705499296     -2.0932535674     -0.4889398516
 C     -2.0362495177     -3.0954035645     -0.7311056269
 C     -0.9697456807     -3.6632726325     -0.8988267024
 C      0.3735781529     -3.8576984514     -0.9408235222
 C      1.4900877819     -3.4258891270     -0.8686428688
 C      2.4580628463     -2.5649015997     -0.4679067551
 C      3.1286442815     -1.6505628870     -0.0652067230
 C      3.3472109004     -0.3161488556      0.1435765338
 C      3.2620036602      0.8647226703      0.3800936278
 C      2.9038171686      2.1734051448      0.4972707445
 C      2.1709523823      3.0910238721      0.7696807941
18
# ORCA AIMD Position Step 237, t=237.00 fs, E_Pot=-685.23490761 Hartree, Unit is Angstrom
 C      0.9615123045      3.7296646291      0.8942543176
 C     -0.2405075652      3.6851443399      0.8901183771
 C     -1.5234041338      3.3157023663      0.8050551537
 C     -2.5025032463      2.6794024089      0.4520553769
 C     -3.0917968548      1.5184981416      0.1363683154
 C     -3.4497539749      0.3936653623     -0.1650664079
 C     -3.4287635489     -0.9664385689     -0.3390709684
 C     -2.9728665090     -2.0868386862     -0.4849584336
 C     -2.0314850240     -3.0987772385     -0.7306450211
 C     -0.9722759200     -3.6579462607     -0.9076180467
 C      0.3740273830     -3.8555375240     -0.9476024389
 C      1.4886894693     -3.4289725001     -0.8728044548
 C      2.4584142360     -2.5627447953     -0.4725378788
 C      3.1307492583     -1.6527956951     -0.0702536093
 C      3.3491009077     -0.3249176352      0.1497979809
 C      3.2662236261      0.8636993927      0.3858920711
 C      2.9031258115      2.1748228907      0.5022067856
 C      2.1749209384      3.0863565593      0.7697358762
18
# ORCA AIMD Position Step 238, t=238.00 fs, E_Pot=-685.23276467 Hartree, Unit is Angstrom
 C      0.9555852545      3.7341344016      0.8981977878
 C     -0.2419552961      3.6805260186      0.8956096985
 C     -1.5127415620      3.3128836796      0.8090903356
 C     -2.4956410056      2.6824634547      0.4493610889
 C     -3.0964746529      1.5164467021      0.1315525356
 C     -3.4608701868      0.3942288795     -0.1630635579
 C     -3.4337319893     -0.9611293034     -0.3394577791
 C     -2.9742822140     -2.0811735881     -0.4814069220
 C     -2.0279809229     -3.1010122461     -0.7298751953
 C     -0.9747609576     -3.6528708527     -0.9163797487
 C      0.3727875095     -3.8535633318     -0.9546540480
 C      1.4889665807     -3.4314314790     -0.8763511738
 C      2.4584033178     -2.5620111301     -0.4777059776
 C      3.1330679482     -1.6536117294     -0.0753226064
 C      3.3511935566     -0.3336844778      0.1564152262
 C      3.2707540773      0.8628368561      0.3912972435
 C      2.9032492567      2.1746821043      0.5072992495
 C      2.1773838277      3.0832316852      0.7699039803
18
# ORCA AIMD Position Step 239, t=239.00 fs, E_Pot=-685.23134611 Hartree, Unit is Angstrom
 C      0.9519748602      3.7378306366      0.9020673269
 C     -0.2438350729      3.6765553927      0.9014113925
 C     -1.5033539327      3.3098243638      0.8125786904
 C     -2.4881261094      2.6854139394      0.4470122187
 C     -3.1018450427      1.5142548565      0.1265333684
 C     -3.4719665475      0.3945151913     -0.1608097905
 C     -3.4382917081     -0.9558961359     -0.3399163903
 C     -2.9746912385     -2.0763589557     -0.4783171773
 C     -2.0263849878     -3.1016540896     -0.7286861338
 C     -0.9766815494     -3.6483035817     -0.9251886683
 C      0.3698649721     -3.8517614136     -0.9619982707
 C      1.4909116198     -3.4332380479     -0.8792956770
 C      2.4580127138     -2.5627426083     -0.4834278433
 C      3.1355553995     -1.6532182628     -0.0804325525
 C      3.3534982960     -0.3416752868      0.1635508297
 C      3.2756206135      0.8616068238      0.3962301016
 C      2.9044360949      2.1726208059      0.5124698352
 C      2.1778127163      3.0821200702      0.7703084994
18
# ORCA AIMD Position Step 240, t=240.00 fs, E_Pot=-685.23123036 Hartree, Unit is Angstrom
 C      0.9510143182      3.7406628566      0.9058466635
 C     -0.2457898892      3.6733633543      0.9075686494
 C     -1.4957500277      3.3063566701      0.8154653194
 C     -2.4801620317      2.6879029669      0.4449189671
 C     -3.1076692174      1.5124505721      0.1214626359
 C     -3.4830739952      0.3945514202     -0.1583426300
 C     -3.4424027200     -0.9510486617     -0.3404680539
 C     -2.9740608509     -2.0723885100     -0.4757027674
 C     -2.0270952217     -3.1004138369     -0.7270106781
 C     -0.9777559848     -3.6443913582     -0.9340890486
 C      0.3655594258     -3.8500338471     -0.9696294107
 C      1.4942115127     -3.4345074638     -0.8816937622
 C      2.4573796595     -2.5647865417     -0.4896324006
 C      3.1380730531     -1.6519522255     -0.0856579887
 C      3.3560289668     -0.3482711801      0.1712893886
 C      3.2808377276      0.8596041000      0.4006415565
 C      2.9066870997      2.1686173724      0.5177223963
 C      2.1760497787      3.0831129882      0.7709767650
18
# ORCA AIMD Position Step 241, t=241.00 fs, E_Pot=-685.23214476 Hartree, Unit is Angstrom
 C      0.9526945783      3.7425917650      0.9095235842
 C     -0.2473345349      3.6710758873      0.9141142417
 C     -1.4902301852      3.3024281274      0.8177422387
 C     -2.4720925727      2.6895115739      0.4429523372
 C     -3.1137090824      1.5115211191      0.1164883610
 C     -3.4941993161      0.3943619563     -0.1557002864
 C     -3.4460117534     -0.9469048260     -0.3411323897
 C     -2.9724272220     -2.0691710718     -0.4735633351
 C     -2.0301739617     -3.0972154253     -0.7248481749
 C     -0.9780208284     -3.6411349238     -0.9430636567
 C      0.3604088000     -3.8482267630     -0.9775100389
 C      1.4983147528     -3.4354651170     -0.8836369975
 C      2.4567609447     -2.5678347438     -0.4961736483
 C      3.1404190039     -1.6502136376     -0.0911015800
 C      3.3587982834     -0.3530949164      0.1796530131
 C      3.2863962385      0.8566173061      0.4045195903
 C      2.9097412399      2.1630054556      0.5231369790
 C      2.1723288435      3.0858979491      0.7718379063
18
# ORCA AIMD Position Step 242, t=242.00 fs, E_Pot=-685.23333260 Hartree, Unit is Angstrom
 C      0.9567029476      3.7436296343      0.9130934455
 C     -0.2479545784      3.6697936452      0.9210631141
 C     -1.4868340026      3.2981095528      0.8194552506
 C     -2.4643708136      2.6897944664      0.4409520746
 C     -3.1197575685      1.5118390125      0.1117354518
 C     -3.5053161244      0.3939959164     -0.1529145093
 C     -3.4490678903     -0.9437428241     -0.3419207812
 C     -2.9698871536     -2.0665550476     -0.4718862651
 C     -2.0353312392     -3.0922048788     -0.7222735072
 C     -0.9778293332     -3.6383847697     -0.9520292365
 C      0.3550760661     -3.8461673177     -0.9855778170
 C      1.5025485664     -3.4363941192     -0.8852428763
 C      2.4564757789     -2.5714887407     -0.5028626670
 C      3.1423737324     -1.6483850517     -0.0968648690
 C      3.3618145998     -0.3560704501      0.1885929014
 C      3.2922596410      0.8526683286      0.4078957837
 C      2.9131378116      2.1563895252      0.5288449230
 C      2.1672154480      3.0898312622      0.7727475754
18
# ORCA AIMD Position Step 243, t=243.00 fs, E_Pot=-685.23416105 Hartree, Unit is Angstrom
 C      0.9625082195      3.7438411617      0.9165646561
 C     -0.2472229985      3.6695715915      0.9284130947
 C     -1.4853316555      3.2935799901      0.8207002997
 C     -2.4574960995      2.6883317822      0.4387430766
 C     -3.1256699498      1.5136045022      0.1072871449
 C     -3.5163665185      0.3935453930     -0.1500038033
 C     -3.4515385750     -0.9417520947     -0.3428310350
 C     -2.9665842921     -2.0643542348     -0.4706466766
 C     -2.0419929838     -3.0857129087     -0.7194283737
 C     -0.9777600258     -3.6358776048     -0.9608546163
 C      0.3502122576     -3.8436965054     -0.9937615767
 C      1.5062522266     -3.4375768937     -0.8866388918
 C      2.4568412372     -2.5753380742     -0.5095076566
 C      3.1437450990     -1.6467615762     -0.1030247018
 C      3.3650803056     -0.3574331284      0.1979965485
 C      3.2983679086      0.8480119535      0.4108465930
 C      2.9163288584      2.1494935784      0.5349938716
 C      2.1614864258      3.0940792617      0.7735279418
18
# ORCA AIMD Position Step 244, t=244.00 fs, E_Pot=-685.23451009 Hartree, Unit is Angstrom
 C      0.9694658133      3.7433384128      0.9199606756
 C     -0.2448889751      3.6704073498      0.9361452837
 C     -1.4852798874      3.2890873265      0.8216048185
 C     -2.4519306839      2.6847859462      0.4361626079
 C     -3.1313841728      1.5168177351      0.1031754109
 C     -3.5272637733      0.3931480410     -0.1469711144
 C     -3.4534191984     -0.9410005069     -0.3438456757
 C     -2.9626953748     -2.0623723577     -0.4698108966
 C     -2.0494195760     -3.0781901139     -0.7164980135
 C     -0.9784744112     -3.6332978023     -0.9693855365
 C      0.3463376249     -3.8406912604     -1.0019938677
 C      1.5088872630     -3.4392428666     -0.8879442295
 C      2.4581167075     -2.5790311196     -0.5159477457
 C      3.1443978633     -1.6455120526     -0.1096188810
 C      3.3685927312     -0.3576787504      0.2077043108
 C      3.3046438375      0.8430965007      0.4134844448
 C      2.9187910400      2.1430088548      0.5417150452
 C      2.1559964830      3.0977717319      0.7740056593
18
# ORCA AIMD Position Step 245, t=245.00 fs, E_Pot=-685.23475394 Hartree, Unit is Angstrom
 C      0.9769178427      3.7422700467      0.9233175332
 C     -0.2409167617      3.6722418744      0.9442228402
 C     -1.4861310148      3.2848916052      0.8222980031
 C     -2.4480092565      2.6789620741      0.4330946091
 C     -3.1369270426      1.5212788788      0.0993822349
 C     -3.5378956081      0.3929744791     -0.1438088127
 C     -3.4547379003     -0.9414233443     -0.3449309192
 C     -2.9584184710     -2.0604198925     -0.4693385929
 C     -2.0568242297     -3.0701419393     -0.7136871429
 C     -0.9805726685     -3.6303393180     -0.9774679129
 C      0.3437603228     -3.8370742138     -1.0102180422
 C      1.5101065333     -3.4415332490     -0.8892543061
 C      2.4604663618     -2.5823215783     -0.5220729171
 C      3.1442657706     -1.6446769909     -0.1166385855
 C      3.3723446256     -0.3574608027      0.2175288154
 C      3.3109999046      0.8384878272      0.4159418669
 C      2.9201084403      2.1374842602      0.5490987957
 C      2.1515602322      3.1001266912      0.7740396917
18
# ORCA AIMD Position Step 246, t=246.00 fs, E_Pot=-685.23542590 Hartree, Unit is Angstrom
 C      0.9842755785      3.7408033665      0.9266781418
 C     -0.2354779509      3.6749676507      0.9525895550
 C     -1.4873611916      3.2812037685      0.8228771436
 C     -2.4458560209      2.6708649939      0.4295041605
 C     -3.1424090449      1.5266112571      0.0958474706
 C     -3.5481292930      0.3932030745     -0.1405070271
 C     -3.4555534915     -0.9428309866     -0.3460374645
 C     -2.9539653321     -2.0583234983     -0.4691839217
 C     -2.0634689418     -3.0620759195     -0.7111978990
 C     -0.9844821216     -3.6267552121     -0.9849662663
 C      0.3425381933     -3.8328152684     -1.0183899961
 C      1.5097828150     -3.4444826125     -0.8906295000
 C      2.4639392034     -2.5850918818     -0.5278310075
 C      3.1433509594     -1.6441925602     -0.1240278432
 C      3.3763231079     -0.3574555155      0.2272765263
 C      3.3173457782      0.8347643022      0.4183508464
 C      2.9200217599      2.1332657193      0.5571800994
 C      2.1488563900      3.1005406279      0.7735375830
18
# ORCA AIMD Position Step 247, t=247.00 fs, E_Pot=-685.23681041 Hartree, Unit is Angstrom
 C      0.9910855181      3.7390999267      0.9300828235
 C     -0.2289148954      3.6784409341      0.9611707558
 C     -1.4885788989      3.2781349577      0.8233794226
 C     -2.4453297476      2.6607375003      0.4254639626
 C     -3.1480089649      1.5323044854      0.0924799674
 C     -3.5578226820      0.3939887109     -0.1370629971
 C     -3.4559508320     -0.9449287697     -0.3471040710
 C     -2.9495526491     -2.0559354044     -0.4692974358
 C     -2.0687382919     -3.0544554750     -0.7092098807
 C     -0.9903897814     -3.6223930216     -0.9917767992
 C      0.3424793830     -3.8279301142     -1.0264772220
 C      1.5080111836     -3.4480152417     -0.8920891233
 C      2.4684662739     -2.5873588116     -0.5332264866
 C      3.1417127224     -1.6439225231     -0.1316913009
 C      3.3805088513     -0.3582195577      0.2367704478
 C      3.3235959951      0.8323970347      0.4208213694
 C      2.9184506764      2.1304726672      0.5659345253
 C      2.1483486165      3.0986539947      0.7724645852
18
# ORCA AIMD Position Step 248, t=248.00 fs, E_Pot=-685.23868592 Hartree, Unit is Angstrom
 C      0.9970764349      3.7372858472      0.9335603649
 C     -0.2216769889      3.6824968564      0.9698785097
 C     -1.4895903152      3.2756708186      0.8237694644
 C     -2.4460201642      2.6490598162      0.4211594453
 C     -3.1539515749      1.5377759633      0.0891710653
 C     -3.5668409577      0.3954349253     -0.1334886444
 C     -3.4560359328     -0.9473530715     -0.3480626581
 C     -2.9453852476     -2.0531436206     -0.4696288140
 C     -2.0721973830     -3.0476571553     -0.7078624328
 C     -0.9982199922     -3.6172119182     -0.9978375907
 C      0.3431769437     -3.8224758476     -1.0344582580
 C      1.5050855705     -3.4519590196     -0.8936143047
 C      2.4738750550     -2.5892570495     -0.5383129130
 C      3.1394545039     -1.6436925994     -0.1395053302
 C      3.3848750976     -0.3600692556      0.2458707011
 C      3.3296803451      0.8316365146      0.4234253585
 C      2.9155004962      2.1289959427      0.5752790776
 C      2.1502175442      3.0944009527      0.7708504766
18
# ORCA AIMD Position Step 249, t=249.00 fs, E_Pot=-685.24035676 Hartree, Unit is Angstrom
 C      1.0021827817      3.7354393611      0.9371214725
 C     -0.2142819595      3.6869606408      0.9786196232
 C     -1.4903804937      3.2736833523      0.8239512729
 C     -2.4473084839      2.6364993022      0.4168647819
 C     -3.1604787421      1.5424419116      0.0858072094
 C     -3.5750777735      0.3975582016     -0.1298142554
 C     -3.4559310241     -0.9496972744     -0.3488439532
 C     -2.9416337051     -2.0498911438     -0.4701308724
 C     -2.0736424636     -3.0419231391     -0.7072370481
 C     -1.0076281014     -3.6112883421     -1.0031420021
 C      0.3440584733     -3.8165432076     -1.0423274427
 C      1.5014444472     -3.4560722715     -0.8951531097
 C      2.4799121089     -2.5910140084     -0.5431842428
 C      3.1367158088     -1.6433114772     -0.1473275730
 C      3.3893881481     -0.3630223498      0.2544881686
 C      3.3355499848      0.8324639018      0.4261932132
 C      2.9114697804      2.1284836283      0.5850752532
 C      2.1543246218      3.0880358984      0.7687931207
18
# ORCA AIMD Position Step 250, t=250.00 fs, E_Pot=-685.24097892 Hartree, Unit is Angstrom
 C      1.0065269306      3.7335802099      0.9407587066
 C     -0.2072524028      3.6916658957      0.9873043487
 C     -1.4910580231      3.2719714338      0.8238010076
 C     -2.4484794407      2.6238098579      0.4128887607
 C     -3.1678128241      1.5458022052      0.0822918352
 C     -3.5824749632      0.4002725716     -0.1260926773
 C     -3.4557653136     -0.9515437640     -0.3493762624
 C     -2.9384086751     -2.0461887794     -0.4707640234
 C     -2.0731391673     -3.0373214551     -0.7073449289
 C     -1.0180302371     -3.6048142487     -1.0077483754
 C      0.3444686147     -3.8102398926     -1.0500957691
 C      1.4976051723     -3.4600833385     -0.8966395068
 C      2.4862850476     -2.5929112648     -0.5479553750
 C      3.1336518071     -1.6425949279     -0.1550162106
 C      3.3940101451     -0.3668152166      0.2625831702
 C      3.3411792458      0.8345967662      0.4291214970
 C      2.9068422916      2.1283545679      0.5951444846
 C      2.1602035100      3.0801264143      0.7664520239
18
# ORCA AIMD Position Step 251, t=251.00 fs, E_Pot=-685.24010881 Hartree, Unit is Angstrom
 C      1.0103423790      3.7316767228      0.9444510246
 C     -0.2010485443      3.6964599810      0.9958526927
 C     -1.4917852398      3.2703078582      0.8231919623
 C     -2.4488321302      2.6117209572      0.4095324833
 C     -3.1761243490      1.5475240936      0.0785564393
 C     -3.5890335194      0.4033823353     -0.1223936751
 C     -3.4556599776     -0.9525280767     -0.3495999532
 C     -2.9357619866     -2.0420997964     -0.4715040785
 C     -2.0710336353     -3.0337307362     -0.7081179324
 C     -1.0286577381     -3.5980830872     -1.0117804370
 C      0.3437936410     -3.8036669113     -1.0577818148
 C      1.4940607834     -3.4637359649     -0.8980088282
 C      2.4927067638     -2.5952261244     -0.5527411194
 C      3.1304145110     -1.6413914383     -0.1624489512
 C      3.3987022691     -0.3709686838      0.2701640826
 C      3.3465702084      0.8375371256      0.4321772014
 C      2.9022490087      2.1278442761      0.6052900327
 C      2.1671254344      3.0715074914      0.7640308510
18
# ORCA AIMD Position Step 252, t=252.00 fs, E_Pot=-685.23804819 Hartree, Unit is Angstrom
 C      1.0138940442      3.7296628054      0.9481695468
 C     -0.1960347635      3.7012102935      1.0041981073
 C     -1.4926944761      3.2684943683      0.8220246859
 C     -2.4478043018      2.6008134897      0.4070347621
 C     -3.1854854323      1.5475219497      0.0745811637
 C     -3.5948179518      0.4065796408     -0.1188020666
 C     -3.4557216213     -0.9523598100     -0.3494681197
 C     -2.9336871069     -2.0377283883     -0.4723401989
 C     -2.0679214585     -3.0308501698     -0.7094155824
 C     -1.0386153101     -3.5914715389     -1.0154208690
 C      0.3415550167     -3.7968974247     -1.0654054969
 C      1.4911942234     -3.4668246013     -0.8992128963
 C      2.4989320286     -2.5981908069     -0.5576392183
 C      3.1271319481     -1.6395942349     -0.1695331048
 C      3.4034277083     -0.3749197017      0.2772645930
 C      3.3517467343      0.8406837221      0.4353165007
 C      2.8983944294      2.1260978244      0.6153231217
 C      2.1742170358      3.0631631696      0.7617490803
18
# ORCA AIMD Position Step 253, t=253.00 fs, E_Pot=-685.23578788 Hartree, Unit is Angstrom
 C      1.0173891491      3.7274618743      0.9518875452
 C     -0.1924511119      3.7058062412      1.0122845229
 C     -1.4938290687      3.2664030105      0.8202485229
 C     -2.4450540602      2.5914405540      0.4055368716
 C     -3.1958413998      1.5459880809      0.0704056292
 C     -3.5999523563      0.4094602082     -0.1154137189
 C     -3.4560325217     -0.9508444382     -0.3489499025
 C     -2.9321395698     -2.0331923223     -0.4732699176
 C     -2.0645574386     -3.0282534744     -0.7110449604
 C     -1.0469790519     -3.5853952952     -1.0188932230
 C      0.3374957954     -3.7899623948     -1.0729754004
 C      1.4892048001     -3.4692211981     -0.9002351400
 C      2.5047885263     -2.6019511357     -0.5627129680
 C      3.1238892298     -1.6371543655     -0.1762125820
 C      3.4081526652     -0.3781442312      0.2839211963
 C      3.3567493845      0.8434316373      0.4384982226
 C      2.8959400800      2.1223204280      0.6250933517
 C      2.1806267116      3.0560530944      0.7598051561
18
# ORCA AIMD Position Step 254, t=254.00 fs, E_Pot=-685.23446172 Hartree, Unit is Angstrom
 C      1.0209085843      3.7250085645      0.9555860567
 C     -0.1903980247      3.7101556011      1.0200609614
 C     -1.4951111164      3.2640004310      0.8178723033
 C     -2.4405042144      2.5836938215      0.4050670389
 C     -3.2070000727      1.5433836226      0.0661309943
 C     -3.6046041148      0.4115569105     -0.1123293088
 C     -3.4566438522     -0.9479043488     -0.3480305073
 C     -2.9310650806     -2.0285843250     -0.4742935259
 C     -2.0617196530     -3.0254797791     -0.7128006496
 C     -1.0529244264     -3.5802474168     -1.0224236593
 C      0.3316339273     -3.7828473416     -1.0804786909
 C      1.4880678926     -3.4708860208     -0.9010986422
 C      2.5101885014     -2.6065379310     -0.5679790095
 C      3.1207232411     -1.6340900555     -0.1824659878
 C      3.4128460181     -0.3802542155      0.2901530080
 C      3.3616310475      0.8452486858      0.4416904396
 C      2.8953634792      2.1159665861      0.6345114572
 C      2.1857021439      3.0509124467      0.7583437635
18
# ORCA AIMD Position Step 255, t=255.00 fs, E_Pot=-685.23460452 Hartree, Unit is Angstrom
 C      1.0243695304      3.7222644133      0.9592550026
 C     -0.1898375829      3.7141780015      1.0274719272
 C     -1.4963302871      3.2613601454      0.8149696455
 C     -2.4343470929      2.5774188667      0.4055411856
 C     -3.2186435034      1.5403732956      0.0619111373
 C     -3.6089589399      0.4123974157     -0.1096459289
 C     -3.4575687845     -0.9435957756     -0.3467155825
 C     -2.9304260046     -2.0239483972     -0.4754084824
 C     -2.0600490096     -3.0221419640     -0.7145114968
 C     -1.0558772469     -3.5763219516     -1.0261902729
 C      0.3242737768     -3.7755068853     -1.0878700652
 C      1.4875489186     -3.4718567645     -0.9018652232
 C      2.5151246600     -2.6118563340     -0.5734026895
 C      3.1176233977     -1.6304881890     -0.1882960961
 C      3.4174752778     -0.3810636933      0.2959395267
 C      3.3664489054      0.8457268502      0.4448759565
 C      2.8968294051      2.1069233397      0.6435545410
 C      2.1891386269      3.0480732773      0.7574388666
18
# ORCA AIMD Position Step 256, t=256.00 fs, E_Pot=-685.23574228 Hartree, Unit is Angstrom
 C      1.0275354163      3.7192255513      0.9628931235
 C     -0.1906114218      3.7178016883      1.0344517847
 C     -1.4971562548      3.2586578692      0.8116775688
 C     -2.4270153156      2.5722630962      0.4067771684
 C     -3.2303702596      1.5377063533      0.0579303818
 C     -3.6131902544      0.4115963759     -0.1074426760
 C     -3.4587819029     -0.9381145533     -0.3450338922
 C     -2.9302150684     -2.0192707048     -0.4766051288
 C     -2.0598955519     -3.0180253226     -0.7160856610
 C     -1.0556617272     -3.5737386263     -1.0302772997
 C      0.3159706786     -3.7678889966     -1.0950721117
 C      1.4872624474     -3.4722247050     -0.9026258362
 C      2.5196522694     -2.6176955117     -0.5789012501
 C      3.1145430629     -1.6264948116     -0.1937200647
 C      3.4220036573     -0.3806279538      0.3012120442
 C      3.3712582761      0.8446196722      0.4480517343
 C      2.9001317601      2.0956002608      0.6522592015
 C      2.1910398961      3.0473779922      0.7570912721
18
# ORCA AIMD Position Step 257, t=257.00 fs, E_Pot=-685.23673623 Hartree, Unit is Angstrom
 C      1.0300659499      3.7159171000      0.9665098254
 C     -0.1924712682      3.7209658304      1.0409308371
 C     -1.4971815002      3.2561444971      0.8081791355
 C     -2.4191070875      2.5677458358      0.4085246481
 C     -3.2417709915      1.5360614395      0.0543686715
 C     -3.6174298008      0.4089666929     -0.1057599192
 C     -3.4602260211     -0.9317819068     -0.3430368518
 C     -2.9304527293     -2.0144887801     -0.4778679024
 C     -2.0612338038     -3.0131375246     -0.7175378688
 C     -1.0525835492     -3.5723976176     -1.0346516576
 C      0.3074462001     -3.7599543340     -1.1019920015
 C      1.4867670049     -3.4721034949     -0.9034856524
 C      2.5238643088     -2.6237639194     -0.5843601641
 C      3.1114141931     -1.6222935901     -0.1987635829
 C      3.4263937216     -0.3792514700      0.3058594942
 C      3.3761106426      0.8418694197      0.4512305745
 C      2.9047462028      2.0828580513      0.6607063265
 C      2.1918609889      3.0482363183      0.7572472406
18
# ORCA AIMD Position Step 258, t=258.00 fs, E_Pot=-685.23659631 Hartree, Unit is Angstrom
 C      1.0315962917      3.7123778228      0.9701229121
 C     -0.1951224572      3.7236259035      1.0468478203
 C     -1.4959949237      3.2540947594      0.8046714573
 C     -2.4112746769      2.5633457544      0.4105108309
 C     -3.2525083756      1.5359016466      0.0513689739
 C     -3.6217460019      0.4046115878     -0.1045843066
 C     -3.4618269656     -0.9250072373     -0.3407934720
 C     -2.9311710436     -2.0095187763     -0.4791803793
 C     -2.0636933161     -3.0076861473     -0.7189840639
 C     -1.0473868749     -3.5719955045     -1.0391769030
 C      0.2994762241     -3.7516872525     -1.1085469839
 C      1.4856657355     -3.4715950847     -0.9045444046
 C      2.5278634394     -2.6297396223     -0.5896555965
 C      3.1081619107     -1.6180798872     -0.2034587445
 C      3.4306144777     -0.3774567611      0.3097428723
 C      3.3810520366      0.8376146999      0.4544453874
 C      2.9099735080      2.0698020713      0.6689996865
 C      2.1922541955      3.0498033863      0.7578290908
18
# ORCA AIMD Position Step 259, t=259.00 fs, E_Pot=-685.23509397 Hartree, Unit is Angstrom
 C      1.0318183024      3.7086396614      0.9737530472
 C     -0.1982681358      3.7257549880      1.0521578457
 C     -1.4932712329      3.2527414696      0.8013249653
 C     -2.4041019730      2.5585979145      0.4124916021
 C     -3.2623662103      1.5373930422      0.0490181339
 C     -3.6261372359      0.3989579363     -0.1038450127
 C     -3.4635110748     -0.9182399397     -0.3383834937
 C     -2.9323912037     -2.0042943635     -0.4805317646
 C     -2.0666869130     -3.0019978963     -0.7206054730
 C     -1.0411032611     -3.5720979100     -1.0436528707
 C      0.2927846640     -3.7431008548     -1.1146807425
 C      1.4836893608     -3.4707619571     -0.9058806264
 C      2.5317369396     -2.6353189386     -0.5946762159
 C      3.1047160176     -1.6140410110     -0.2078417197
 C      3.4346454137     -0.3759147361      0.3127103618
 C      3.3861176241      0.8321715719      0.4577512656
 C      2.9151056848      2.0575387343      0.6772425004
 C      2.1928863529      3.0511965583      0.7587671916
18
# ORCA AIMD Position Step 260, t=260.00 fs, E_Pot=-685.23279213 Hartree, Unit is Angstrom
 C      1.0305447679      3.7047094598      0.9774163039
 C     -0.2016392545      3.7273437873      1.0568345770
 C     -1.4888550908      3.2522131365      0.7982464440
 C     -2.3980013929      2.5531748916      0.4142950167
 C     -3.2712571347      1.5404076875      0.0473460001
 C     -3.6305437600      0.3927161428     -0.1034227486
 C     -3.4652192748     -0.9119231474     -0.3358898781
 C     -2.9341023023     -1.9988049153     -0.4819234210
 C     -2.0695710621     -2.9964205113     -0.7226018233
 C     -1.0348557151     -3.5722317970     -1.0478637419
 C      0.2879563483     -3.7342358877     -1.1203705676
 C      1.4807450123     -3.4696114312     -0.9075419251
 C      2.5355374386     -2.6402501278     -0.5993370275
 C      3.1010181112     -1.6103481410     -0.2119498700
 C      3.4384761186     -0.3753467391      0.3146133740
 C      3.3913264564      0.8259837689      0.4612231670
 C      2.9195527290      2.0469838827      0.6855196834
 C      2.1942906383      3.0516700322      0.7600206941
18
# ORCA AIMD Position Step 261, t=261.00 fs, E_Pot=-685.23060717 Hartree, Unit is Angstrom
 C      1.0277500479      3.7005578082      0.9811159979
 C     -0.2050073568      3.7283995942      1.0608696644
 C     -1.4828228499      3.2524866774      0.7954551250
 C     -2.3931516274      2.5469393200      0.4158472435
 C     -3.2791980229      1.5445938896      0.0463377330
 C     -3.6348720206      0.3867800008     -0.1031683959
 C     -3.4669170930     -0.9064530930     -0.3333914730
 C     -2.9362469706     -1.9931225364     -0.4833719858
 C     -2.0717783015     -2.9912424012     -0.7251515761
 C     -1.0296793341     -3.5719645279     -1.0516169284
 C      0.2853695177     -3.7251570433     -1.1256278340
 C      1.4769325902     -3.4680912833     -0.9095411009
 C      2.5392735792     -2.6443495184     -0.6035840195
 C      3.0970254544     -1.6071587520     -0.2158209740
 C      3.4421040814     -0.3764090737      0.3153231622
 C      3.3966786338      0.8195457110      0.4649488467
 C      2.9229092575      2.0387583357      0.6938869869
 C      2.1967817931      3.0507131785      0.7615879985
18
# ORCA AIMD Position Step 262, t=262.00 fs, E_Pot=-685.22928699 Hartree, Unit is Angstrom
 C      1.0235830793      3.6961190355      0.9848376555
 C     -0.2081825512      3.7289456799      1.0642697867
 C     -1.4755048206      3.2533726756      0.7928791288
 C     -2.3894863523      2.5399612861      0.4171752506
 C     -3.2862685032      1.5494741462      0.0459506156
 C     -3.6390195672      0.3820964829     -0.1029256878
 C     -3.4685982780     -0.9021444783     -0.3309570032
 C     -2.9387179690     -1.9874114034     -0.4849093296
 C     -2.0728996161     -2.9866478462     -0.7283853548
 C     -1.0263853450     -3.5709562922     -1.0547676951
 C      0.2851451481     -3.7159517234     -1.1304926980
 C      1.4725357077     -3.4660972462     -0.9118545088
 C      2.5429099287     -2.6475036132     -0.6073900551
 C      3.0927136999     -1.6046247484     -0.2194952379
 C      3.4455308450     -0.3795727217      0.3147500426
 C      3.4021531537      0.8133102766      0.4690153796
 C      2.9249755346      2.0331560637      0.7023621966
 C      2.2004240742      3.0480841442      0.7635077928
18
# ORCA AIMD Position Step 263, t=263.00 fs, E_Pot=-685.22906378 Hartree, Unit is Angstrom
 C      1.0183587636      3.6913025537      0.9885451051
 C     -0.2110066770      3.7290212420      1.0670540437
 C     -1.4674637303      3.2545350425      0.7903724541
 C     -2.3867309583      2.5325007231      0.4183880793
 C     -3.2925699640      1.5545396076      0.0461291837
 C     -3.6428929453      0.3795269401     -0.1025535339
 C     -3.4702860275     -0.8991963347     -0.3286395323
 C     -2.9413637166     -1.9819184284     -0.4865778439
 C     -2.0727220870     -2.9827039147     -0.7323707890
 C     -1.0254691648     -3.5689895015     -1.0572311189
 C      0.2871121310     -3.7067322000     -1.1350231823
 C      1.4679982078     -3.4634897059     -0.9144249466
 C      2.5463729881     -2.6496658752     -0.6107509551
 C      3.0880809025     -1.6028964808     -0.2230119681
 C      3.4487577701     -0.3850157209      0.3128630270
 C      3.4077061563      0.8075983817      0.4734910680
 C      2.9257551407      2.0301494061      0.7109177880
 C      2.2050350939      3.0438124742      0.7658521371
18
# ORCA AIMD Position Step 264, t=264.00 fs, E_Pot=-685.22961137 Hartree, Unit is Angstrom
 C      1.0125265758      3.6860102598      0.9921836849
 C     -0.2133508161      3.7286802719      1.0692522079
 C     -1.4594258510      3.2555414097      0.7877463993
 C     -2.3844741707      2.5249564332      0.4196443789
 C     -3.2981949485      1.5593322329      0.0468164644
 C     -3.6464194617      0.3797133222     -0.1019465303
 C     -3.4720319194     -0.8976569794     -0.3264701196
 C     -2.9440048425     -1.9769449703     -0.4884237593
 C     -2.0712437200     -2.9793627290     -0.7371045340
 C     -1.0270550255     -3.5659843260     -1.0589902562
 C      0.2908046939     -3.6976344583     -1.1392880112
 C      1.4638807336     -3.4601157833     -0.9171672051
 C      2.5495586926     -2.6508573117     -0.6136827170
 C      3.0831548781     -1.6021122324     -0.2264069301
 C      3.4517854053     -0.3925580709      0.3097077168
 C      3.4132728739      0.8025327084      0.4784085238
 C      2.9254434820      2.0294077378      0.7194824488
 C      2.2102149648      3.0381842831      0.7687134549
18
# ORCA AIMD Position Step 265, t=265.00 fs, E_Pot=-685.23031388 Hartree, Unit is Angstrom
 C      1.0066156346      3.6801511418      0.9956899285
 C     -0.2151228780      3.7279879347      1.0709053660
 C     -1.4521695132      3.2559346283      0.7848055602
 C     -2.3822569895      2.5177862444      0.4211143884
 C     -3.3032090634      1.5635168097      0.0479638899
 C     -3.6495571779      0.3829710269     -0.1010501633
 C     -3.4739125601     -0.8974030987     -0.3244521106
 C     -2.9464583141     -1.9728005120     -0.4904910171
 C     -2.0686762296     -2.9764668461     -0.7425132816
 C     -1.0308836299     -3.5620032107     -1.0601013815
 C      0.2955180234     -3.6888028368     -1.1433603524
 C      1.4607898200     -3.4558334271     -0.9199819082
 C      2.5523439889     -2.6511720657     -0.6162269889
 C      3.0779967267     -1.6023747122     -0.2297070368
 C      3.4546172061     -0.4016745850      0.3054111054
 C      3.4187761846      0.7980170736      0.4837572096
 C      2.9244050988      2.0303366330      0.7279550638
 C      2.2154003458      3.0317017539      0.7721919403
18
# ORCA AIMD Position Step 266, t=266.00 fs, E_Pot=-685.23067431 Hartree, Unit is Angstrom
 C      1.0011658270      3.6736497496      0.9990031810
 C     -0.2162798869      3.7270111091      1.0720616274
 C     -1.4463969617      3.2553096007      0.7813839858
 C     -2.3796657907      2.5114176595      0.4229430777
 C     -3.3076366953      1.5669362791      0.0495416197
 C     -3.6523019254      0.3892371294     -0.0998679138
 C     -3.4760205292     -0.8981532530     -0.3225599203
 C     -2.9485651566     -1.9697510071     -0.4928158960
 C     -2.0654301466     -2.9737596448     -0.7484626523
 C     -1.0363543928     -3.5572411280     -1.0606920458
 C      0.3004310811     -3.6803683387     -1.1473107539
 C      1.4592798869     -3.4505344646     -0.9227752875
 C      2.5545982317     -2.6507782365     -0.6184527212
 C      3.0727026886     -1.6037218269     -0.2329251639
 C      3.4572637050     -0.4115924693      0.3001657735
 C      3.4241360282      0.7937769726      0.4894890101
 C      2.9231280754      2.0321515622      0.7362258094
 C      2.2199425684      3.0250102337      0.7763835620
18
# ORCA AIMD Position Step 267, t=267.00 fs, E_Pot=-685.23062075 Hartree, Unit is Angstrom
 C      0.9966619628      3.6664528132      1.0020752566
 C     -0.2168387415      3.7258065637      1.0727661485
 C     -1.4426215801      3.2533791205      0.7773757662
 C     -2.3764130468      2.5061736726      0.4252209788
 C     -3.3114473392      1.5696429034      0.0515480107
 C     -3.6546907238      0.3980803244     -0.0984595250
 C     -3.4784481157     -0.8995197402     -0.3207457789
 C     -2.9502161372     -1.9679722767     -0.4954216433
 C     -2.0620749629     -2.9709089315     -0.7547729171
 C     -1.0426163842     -3.5520012314     -1.0609486084
 C      0.3047692407     -3.6724283477     -1.1511937671
 C      1.4597433734     -3.4441688399     -0.9254818091
 C      2.5561928102     -2.6499099867     -0.6204545931
 C      3.0674077662     -1.6060995832     -0.2360505497
 C      3.4597427580     -0.4214372921      0.2942007869
 C      3.4292749631      0.7894440414      0.4955303785
 C      2.9221543084      2.0339882911      0.7441931825
 C      2.2232008251      3.0187946368      0.7813703183
18
# ORCA AIMD Position Step 268, t=268.00 fs, E_Pot=-685.23048656 Hartree, Unit is Angstrom
 C      0.9934788883      3.6585359100      1.0048753174
 C     -0.2168770297      3.7244090266      1.0730504478
 C     -1.4410873336      3.2500216806      0.7727572270
 C     -2.3723954198      2.5022225759      0.4279653911
 C     -3.3145469121      1.5718998282      0.0540139325
 C     -3.6568019252      0.4087597061     -0.0969310372
 C     -3.4812670993     -0.9010838699     -0.3189530869
 C     -2.9513731598     -1.9675128008     -0.4983119312
 C     -2.0592658442     -2.9675504393     -0.7612427143
 C     -1.0486954931     -3.5466534747     -1.0610908138
 C      0.3079601453     -3.6650321497     -1.1550313378
 C      1.4623103928     -3.4367680279     -0.9280856359
 C      2.5570129903     -2.6488480466     -0.6223470924
 C      3.0622877611     -1.6093462330     -0.2390380365
 C      3.4620747837     -0.4303788144      0.2877481753
 C      3.4341196084      0.7846524059      0.5017962633
 C      2.9219894071      2.0350399633      0.7517734623
 C      2.2246453178      3.0136532990      0.7872115929
18
# ORCA AIMD Position Step 269, t=269.00 fs, E_Pot=-685.23068345 Hartree, Unit is Angstrom
 C      0.9918382060      3.6499113080      1.0073920412
 C     -0.2165210554      3.7228242812      1.0729242689
 C     -1.4417219371      3.2453121285      0.7676010336
 C     -2.3677290618      2.4995510742      0.4311114420
 C     -3.3167828560      1.5741429718      0.0569985197
 C     -3.6587489575      0.4203210656     -0.0954197742
 C     -3.4845090315     -0.9024720829     -0.3171318667
 C     -2.9520857552     -1.9682685156     -0.5014637979
 C     -2.0576322800     -2.9633558441     -0.7676806643
 C     -1.0536457431     -3.5415733032     -1.0613366314
 C      0.3097394576     -3.6581761146     -1.1588008509
 C      1.4667849846     -3.4284639423     -0.9306336647
 C      2.5569749580     -2.6478877996     -0.6242516183
 C      3.0575570645     -1.6131922236     -0.2418032044
 C      3.4642760799     -0.4377468972      0.2810145418
 C      3.4385999019      0.7791221272      0.5082021401
 C      2.9230039568      2.0347002811      0.7589052572
 C      2.2239623213      3.0099644027      0.7939343165
18
# ORCA AIMD Position Step 270, t=270.00 fs, E_Pot=-685.23130610 Hartree, Unit is Angstrom
 C      0.9917760067      3.6406370082      1.0096349206
 C     -0.2159216355      3.7210273068      1.0723721553
 C     -1.4441269299      3.2395334898      0.7620792772
 C     -2.3627575156      2.4979599017      0.4345131691
 C     -3.3179695236      1.5768968895      0.0605757408
 C     -3.6606636385      0.4317249483     -0.0940747719
 C     -3.4881528191     -0.9034115891     -0.3152511938
 C     -2.9525000212     -1.9699744296     -0.5048230651
 C     -2.0576391760     -2.9581165212     -0.7739427989
 C     -1.0567119969     -3.5370660531     -1.0618608821
 C      0.3101768976     -3.6518080133     -1.1624343035
 C      1.4726448756     -3.4194953388     -0.9332359140
 C      2.5560492552     -2.6472962151     -0.6262787205
 C      3.0534571468     -1.6172839797     -0.2442293636
 C      3.4663521841     -0.4431082715      0.2741603278
 C      3.4426490878      0.7727189292      0.5146748778
 C      2.9253535666      2.0326742735      0.7655511961
 C      2.2211391528      3.0077809422      0.8015255935
18
# ORCA AIMD Position Step 271, t=271.00 fs, E_Pot=-685.23199898 Hartree, Unit is Angstrom
 C      0.9931294306      3.6308197477      1.0116322761
 C     -0.2152225991      3.7189673165      1.0713602852
 C     -1.4476138289      3.2331594986      0.7564502189
 C     -2.3580224750      2.4970859041      0.4379583170
 C     -3.3179357577      1.5806507660      0.0648119493
 C     -3.6626692422      0.4420006454     -0.0930328523
 C     -3.4921267072     -0.9037527877     -0.3133057863
 C     -2.9528529229     -1.9722230870     -0.5083048887
 C     -2.0594571339     -2.9518183475     -0.7799681406
 C     -1.0574708697     -3.5332945385     -1.0627596670
 C      0.3096192107     -3.6458400833     -1.1658322709
 C      1.4791138994     -3.4101919672     -0.9360517415
 C      2.5542857157     -2.6472615692     -0.6285089724
 C      3.0502321381     -1.6212307061     -0.2461839161
 C      3.4682951303     -0.4463059257      0.2672859745
 C      3.4462060470      0.7654861229      0.5211640834
 C      2.9289492497      2.0290146416      0.7716981475
 C      2.2164947596      3.0067970031      0.8099318590
18
# ORCA AIMD Position Step 272, t=272.00 fs, E_Pot=-685.23222310 Hartree, Unit is Angstrom
 C      0.9955513435      3.6206096659      1.0134298359
 C     -0.2145335196      3.7165764423      1.0698440924
 C     -1.4512966668      3.2267967436      0.7510252416
 C     -2.3541862480      2.4964622908      0.4412008501
 C     -3.3165835062      1.5857153389      0.0697412343
 C     -3.6648468376      0.4504031189     -0.0923950200
 C     -3.4963248937     -0.9034553582     -0.3113132995
 C     -2.9534490454     -1.9745117958     -0.5118021163
 C     -2.0628974736     -2.9446734015     -0.7857968503
 C     -1.0558996786     -3.5302366032     -1.0640345823
 C      0.3085729076     -3.6401677880     -1.1688879128
 C      1.4852914888     -3.4009378569     -0.9392665667
 C      2.5518302744     -2.6478482816     -0.6309757036
 C      3.0480957195     -1.6246705512     -0.2475443683
 C      3.4700857858     -0.4474582009      0.2604259809
 C      3.4492180841      0.7576503459      0.5276535834
 C      2.9334924439      2.0240657538      0.7773586527
 C      2.2106384325      3.0064028916      0.8190652539
18
# ORCA AIMD Position Step 273, t=273.00 fs, E_Pot=-685.23172037 Hartree, Unit is Angstrom
 C      0.9985565578      3.6101889555      1.0150868665
 C     -0.2139162281      3.7137792748      1.0677767740
 C     -1.4542387052      3.2210867390      0.7461176258
 C     -2.3519027678      2.4956197873      0.4440099342
 C     -3.3139415022      1.5921046326      0.0753433039
 C     -3.6672063305      0.4565301288     -0.0922077656
 C     -3.5006319553     -0.9025490357     -0.3093067425
 C     -2.9546212028     -1.9763131537     -0.5151998249
 C     -2.0674481196     -2.9370883430     -0.7915598005
 C     -1.0523443930     -3.5276946526     -1.0656039187
 C      0.3075682904     -3.6346908169     -1.1715110558
 C      1.4903008850     -3.3921217734     -0.9430641221
 C      2.5489237416     -2.6489731134     -0.6336560276
 C      3.0472017309     -1.6273348120     -0.2482253298
 C      3.4716988149     -0.4469175914      0.2535528241
 C      3.4516419682      0.7496000523      0.5341673725
 C      2.9385605831      2.0183386936      0.7825687050
 C      2.2043687507      3.0058093684      0.8288178867
18
# ORCA AIMD Position Step 274, t=274.00 fs, E_Pot=-685.23077049 Hartree, Unit is Angstrom
 C      1.0015959855      3.5997530845      1.0166681409
 C     -0.2133864228      3.7105034949      1.0651182315
 C     -1.4556290257      3.2165829312      0.7419859144
 C     -2.3516611234      2.4942146105      0.4462248036
 C     -3.3101949271      1.5994861694      0.0815310894
 C     -3.6696745269      0.4603573208     -0.0924563549
 C     -3.5049471953     -0.9010857580     -0.3073244411
 C     -2.9566798273     -1.9771542303     -0.5183931465
 C     -2.0723978853     -2.9295772004     -0.7974422636
 C     -1.0474035208     -3.5253513785     -1.0673342140
 C      0.3070405866     -3.6293323478     -1.1736457225
 C      1.4934221536     -3.3840876514     -0.9476000937
 C      2.5458780883     -2.6504138093     -0.6364727110
 C      3.0476252599     -1.6290900462     -0.2481952341
 C      3.4731097424     -0.4451973561      0.2465910067
 C      3.4534444347      0.7418395619      0.5407672481
 C      2.9437065981      2.0123743783      0.7873814253
 C      2.1985411529      3.0041952684      0.8390761445
18
# ORCA AIMD Position Step 275, t=275.00 fs, E_Pot=-685.23001916 Hartree, Unit is Angstrom
 C      1.0041482549      3.5894903384      1.0182338719
 C     -0.2129263588      3.7066895888      1.0618419662
 C     -1.4549467741      3.2136340373      0.7387854873
 C     -2.3536399800      2.4921493720      0.4478010903
 C     -3.3056848607      1.6072146810      0.0881491355
 C     -3.6721067477      0.4621840764     -0.0930701380
 C     -3.5092007292     -0.8991005017     -0.3054014230
 C     -2.9598610956     -1.9766876928     -0.5213036468
 C     -2.0769959806     -2.9226517961     -0.8036363857
 C     -1.0417823685     -3.5228453441     -1.0690774783
 C      0.3072480009     -3.6240547915     -1.1752783354
 C      1.4941922420     -3.3770915459     -0.9529786967
 C      2.5430338646     -2.6518497154     -0.6393091185
 C      3.0493591824     -1.6299519297     -0.2474833526
 C      3.4743005068     -0.4428737024      0.2394418939
 C      3.4546016147      0.7349225038      0.5475400725
 C      2.9485372105      2.0066376200      0.7918580598
 C      2.1939412790      3.0008353298      0.8497346163
18
# ORCA AIMD Position Step 276, t=276.00 fs, E_Pot=-685.23003547 Hartree, Unit is Angstrom
 C      1.0058112313      3.5795602900      1.0198305897
 C     -0.2124990221      3.7023015697      1.0579411589
 C     -1.4520655035      3.2123127255      0.7365434506
 C     -2.3576225914      2.4896439302      0.4488318393
 C     -3.3008795950      1.6144298785      0.0949838453
 C     -3.6743169528      0.4625199903     -0.0939383347
 C     -3.5133575933     -0.8965913380     -0.3035652012
 C     -2.9642835058     -1.9747428792     -0.5238921384
 C     -2.0805944126     -2.9167260674     -0.8102955632
 C     -1.0361667857     -3.5198377259     -1.0707011520
 C      0.3082247114     -3.6188697960     -1.1764385210
 C      1.4924719042     -3.3712710850     -0.9592334418
 C      2.5407067601     -2.6529244927     -0.6420313157
 C      3.0523207743     -1.6300709721     -0.2461761884
 C      3.4752650927     -0.4404752989      0.2320185639
 C      3.4550998862      0.7293644102      0.5545717799
 C      2.9527640161      2.0014532559      0.7960587513
 C      2.1911745671      2.9951983452      0.8607021779
18
# ORCA AIMD Position Step 277, t=277.00 fs, E_Pot=-685.23098582 Hartree, Unit is Angstrom
 C      1.0063755138      3.5700748557      1.0214836865
 C     -0.2120568958      3.6973371157      1.0534355364
 C     -1.4472679049      3.2124147339      0.7351642843
 C     -2.3630094915      2.4872207730      0.4495327866
 C     -3.2963228598      1.6201905175      0.1017845470
 C     -3.6761163975      0.4619588853     -0.0949306240
 C     -3.5174132312     -0.8935229053     -0.3018344351
 C     -2.9699204384     -1.9713488128     -0.5261664598
 C     -2.0827479366     -2.9120495398     -0.8175011486
 C     -1.0311378195     -3.5160608825     -1.0721075297
 C      0.3097684984     -3.6138420107     -1.1771952288
 C      1.4884783666     -3.3666278194     -0.9663142919
 C      2.5391368336     -2.6533127996     -0.6445134475
 C      3.0563635998     -1.6297036964     -0.2444084034
 C      3.4760132142     -0.4383764268      0.2242841408
 C      3.4549406518      0.7255446535      0.5619153837
 C      2.9562296782      1.9969827576      0.8000335415
 C      2.1905828473      2.9870116433      0.8719063462
18
# ORCA AIMD Position Step 278, t=278.00 fs, E_Pot=-685.23261277 Hartree, Unit is Angstrom
 C      1.0058635092      3.5610823527      1.0231968535
 C     -0.2115413128      3.6918312281      1.0483724782
 C     -1.4411708622      3.2135267656      0.7344586393
 C     -2.3689399363      2.4855953716      0.4501964380
 C     -3.2925561057      1.6236247654      0.1082969972
 C     -3.6773515502      0.4610690226     -0.0959159680
 C     -3.5213835108     -0.8898504587     -0.3002234382
 C     -2.9766006965     -1.9667245549     -0.5281803094
 C     -2.0832686623     -2.9086747483     -0.8252499486
 C     -1.0271214921     -3.5113448513     -1.0732413822
 C      0.3114635429     -3.6090849631     -1.1776524661
 C      1.4827719176     -3.3630262969     -0.9740859333
 C      2.5384514548     -2.6527716986     -0.6466607222
 C      3.0612980108     -1.6291739189     -0.2423471778
 C      3.4765727894     -0.4367140109      0.2162778275
 C      3.4541479369      0.7236160272      0.5695625055
 C      2.9589177537      1.9932205566      0.8038230229
 C      2.1921930321      2.9763005167      0.8832968194
18
# ORCA AIMD Position Step 279, t=279.00 fs, E_Pot=-685.23451497 Hartree, Unit is Angstrom
 C      1.0045181694      3.5525585364      1.0249579022
 C     -0.2108716967      3.6858569595      1.0428243138
 C     -1.4345895695      3.2151315786      0.7341875209
 C     -2.3744893351      2.4855107841      0.4511237406
 C     -3.2900257744      1.6240731377      0.1143067474
 C     -3.6779318570      0.4603217882     -0.0967789652
 C     -3.5252920154     -0.8855583668     -0.2987463677
 C     -2.9840396854     -1.9612283534     -0.5300265219
 C     -2.0822348384     -2.9064607632     -0.8334578912
 C     -1.0243653248     -3.5056257263     -1.0740927874
 C      0.3127454343     -3.6047435451     -1.1779361007
 C      1.4761784872     -3.3602182894     -0.9823483994
 C      2.5386553443     -2.6511736125     -0.6484246604
 C      3.0669152721     -1.6288262205     -0.2401725572
 C      3.4769884388     -0.4353556851      0.2081259250
 C      3.4527762786      0.7234532652      0.5774280752
 C      2.9609493674      1.9900100966      0.8074588791
 C      2.1957136887      2.9633823729      0.8948496078
18
# ORCA AIMD Position Step 280, t=280.00 fs, E_Pot=-685.23637521 Hartree, Unit is Angstrom
 C      1.0027440097      3.5444178786      1.0267472267
 C     -0.2099345394      3.6795210801      1.0368829727
 C     -1.4283926397      3.2167120576      0.7341042004
 C     -2.3788724772      2.4875694178      0.4525591714
 C     -3.2889942692      1.6212072581      0.1196800185
 C     -3.6778455914      0.4600365525     -0.0974321848
 C     -3.5291533866     -0.8806967651     -0.2974238196
 C     -2.9918935282     -1.9552787010     -0.5318200803
 C     -2.0799692197     -2.9051024712     -0.8419770141
 C     -1.0229338019     -3.4989443354     -1.0746939592
 C      0.3130102978     -3.6009695788     -1.1781768824
 C      1.4696474795     -3.3578938488     -0.9908711022
 C      2.5396448806     -2.6485144155     -0.6498098044
 C      3.0730194102     -1.6289710898     -0.2380525388
 C      3.4773150659     -0.4339364535      0.2000296916
 C      3.4509102994      0.7246695114      0.5853540143
 C      2.9625699002      1.9870656649      0.8109638952
 C      2.2005866885      2.9488225104      0.9065688925
18
# ORCA AIMD Position Step 281, t=281.00 fs, E_Pot=-685.23801793 Hartree, Unit is Angstrom
 C      1.0010224529      3.5365361784      1.0285456284
 C     -0.2085921749      3.6729464249      1.0306487608
 C     -1.4233561545      3.2178425579      0.7339961933
 C     -2.3816181941      2.4920885648      0.4546360518
 C     -3.2894690833      1.6151083695      0.1243954721
 C     -3.6771558560      0.4603663368     -0.0978240814
 C     -3.5329710695     -0.8754020324     -0.2962867374
 C     -2.9998124577     -1.9492858311     -0.5336804535
 C     -2.0769859936     -2.9041843992     -0.8506173037
 C     -1.0227278138     -3.4914347661     -1.0751122171
 C      0.3117449951     -3.5978962089     -1.1784888463
 C      1.4640877727     -3.3557350814     -0.9994291251
 C      2.5412334295     -2.6449015247     -0.6508710748
 C      3.0794555338     -1.6298337814     -0.2361182064
 C      3.4776076307     -0.4319710336      0.1922280236
 C      3.4486654406      0.7266916419      0.5931301207
 C      2.9641179708      1.9840182240      0.8143537433
 C      2.2060726328      2.9333682009      0.9184823573
18
# ORCA AIMD Position Step 282, t=282.00 fs, E_Pot=-685.23933182 Hartree, Unit is Angstrom
 C      0.9998269542      3.5287751378      1.0303431552
 C     -0.2067002097      3.6662637489      1.0242180044
 C     -1.4200555932      3.2182453889      0.7337104984
 C     -2.3826449297      2.4990437382      0.4573570226
 C     -3.2911900299      1.6062872408      0.1285518899
 C     -3.6760004696      0.4612712987     -0.0979457953
 C     -3.5367275567     -0.8699021606     -0.2953781396
 C     -3.0074849199     -1.9435905648     -0.5357163563
 C     -2.0739324533     -2.9032306307     -0.8591662385
 C     -1.0235175928     -3.4833043842     -1.0754407456
 C      0.3086729000     -3.5956074581     -1.1789489558
 C      1.4601861532     -3.3534791556     -1.0078410199
 C      2.5431857327     -2.6405357848     -0.6517020652
 C      3.0861288466     -1.6315085256     -0.2344484302
 C      3.4779114104     -0.4289818015      0.1849583613
 C      3.4461803290      0.7288637355      0.6005256298
 C      2.9659732543      1.9804819838      0.8176393100
 C      2.2113696131      2.9178404517      0.9306302165
18
# ORCA AIMD Position Step 283, t=283.00 fs, E_Pot=-685.24013144 Hartree, Unit is Angstrom
 C      0.9995557520      3.5210075310      1.0321383792
 C     -0.2041412558      3.6595880318      1.0176734708
 C     -1.4187783607      3.2178319579      0.7331749063
 C     -2.3822605248      2.5080723483      0.4606004087
 C     -3.2936696188      1.5956445156      0.1323546290
 C     -3.6745835864      0.4625079475     -0.0978347014
 C     -3.5403861275     -0.8644981098     -0.2947524009
 C     -3.0146619612     -1.9384367637     -0.5380152965
 C     -2.0715173850     -2.9017558856     -0.8674117629
 C     -1.0249934586     -3.4748067723     -1.0757848587
 C      0.3038520545     -3.5941206918     -1.1795869709
 C      1.4582778060     -3.3509583012     -1.0159888305
 C      2.5452477381     -2.6356822261     -0.6524262768
 C      3.0930211670     -1.6339305400     -0.2330557781
 C      3.4782528954     -0.4246275530      0.1784101116
 C      3.4436093607      0.7305540528      0.6073226620
 C      2.9684916141      1.9761329698      0.8208325273
 C      2.2157291780      2.9030239468      0.9430563475
18
# ORCA AIMD Position Step 284, t=284.00 fs, E_Pot=-685.24021558 Hartree, Unit is Angstrom
 C      1.0004847845      3.5131367316      1.0339379194
 C     -0.2008598251      3.6530023566      1.0110741355
 C     -1.4194716549      3.2167162410      0.7324048082
 C     -2.3810946968      2.5185418001      0.4641495463
 C     -3.2962791320      1.5843627755      0.1360821641
 C     -3.6731596216      0.4636516988     -0.0975696039
 C     -3.5438974445     -0.8595319143     -0.2944722295
 C     -3.0211667506     -1.9339711437     -0.5406405820
 C     -2.0704310660     -2.8993140541     -0.8751621761
 C     -1.0268364823     -3.4662036066     -1.0762454679
 C      0.2977117542     -3.5933795494     -1.1803864088
 C      1.4583000910     -3.3481133095     -1.0238221064
 C      2.5471704994     -2.6306387220     -0.6531833199
 C      3.1001853294     -1.6368859459     -0.2318918487
 C      3.4786383520     -0.4187959781      0.1726904531
 C      3.4411108811      0.7312511147      0.6133495483
 C      2.9719269248      1.9707964220      0.8239574349
 C      2.2185786440      2.8895400134      0.9557962062
18
# ORCA AIMD Position Step 285, t=285.00 fs, E_Pot=-685.23959501 Hartree, Unit is Angstrom
 C      1.0027512105      3.5051020251      1.0357561903
 C     -0.1968763840      3.6465519801      1.0044528970
 C     -1.4217391580      3.2152044604      0.7315014047
 C     -2.3800083720      2.5296404109      0.4677265412
 C     -3.2983544596      1.5737373737      0.1400424146
 C     -3.6720044208      0.4641733256     -0.0972570592
 C     -3.5472126312     -0.8553463192     -0.2946012455
 C     -3.0268915847     -1.9302561720     -0.5436329269
 C     -2.0712479307     -2.8955518252     -0.8822663228
 C     -1.0287943719     -3.4577200051     -1.0769054988
 C      0.2909712243     -3.5932668235     -1.1812967751
 C      1.4598579519     -3.3449818917     -1.0313476646
 C      2.5487335591     -2.6256969174     -0.6541107803
 C      3.1077232530     -1.6400437528     -0.2308645147
 C      3.4790567257     -0.4116542334      0.1678072621
 C      3.4388375073      0.7306257561      0.6185030359
 C      2.9763641404      1.9645236133      0.8270635492
 C      2.2196116333      2.8777462501      0.9688611422
18
# ORCA AIMD Position Step 286, t=286.00 fs, E_Pot=-685.23865465 Hartree, Unit is Angstrom
 C      1.0063492370      3.4968863652      1.0376111404
 C     -0.1922828192      3.6402436358      0.9978193990
 C     -1.4249088421      3.2137461235      0.7306289428
 C     -2.3799671056      2.5404940845      0.4710357116
 C     -3.2993058695      1.5649659615      0.1445206945
 C     -3.6713703291      0.4635684617     -0.0970039048
 C     -3.5502930613     -0.8522462840     -0.2951973645
 C     -3.0317919513     -1.9272940501     -0.5470136598
 C     -2.0743365917     -2.8902555498     -0.8886309391
 C     -1.0307455712     -3.4495027905     -1.0778161700
 C      0.2844921159     -3.5936290618     -1.1822537017
 C      1.4623531933     -3.3416670845     -1.0386061851
 C      2.5497673882     -2.6211007075     -0.6553257408
 C      3.1157548403     -1.6430242299     -0.2298659320
 C      3.4794884647     -0.4036459641      0.1636634095
 C      3.4369241042      0.7285722445      0.6227649302
 C      2.9816894241      1.9576121352      0.8302349324
 C      2.2188314474      2.8676885726      0.9822294694
18
# ORCA AIMD Position Step 287, t=287.00 fs, E_Pot=-685.23807281 Hartree, Unit is Angstrom
 C      1.0111380178      3.4885192204      1.0395213486
 C     -0.1872170511      3.6340547381      0.9911680776
 C     -1.4281765344      3.2128414796      0.7299746479
 C     -2.3818866879      2.5502949438      0.4738099331
 C     -3.2987124693      1.5589339636      0.1497272150
 C     -3.6714337707      0.4615231979     -0.0968807004
 C     -3.5531201917     -0.8504690177     -0.2963059485
 C     -3.0358747283     -1.9250536236     -0.5507889188
 C     -2.0797960430     -2.8833825782     -0.8942287731
 C     -1.0327316644     -3.4415960586     -1.0789910667
 C      0.2791088336     -3.5943037560     -1.1831953093
 C      1.4651357824     -3.3382995520     -1.0456481213
 C      2.5501731777     -2.6170064640     -0.6569068729
 C      3.1243758031     -1.6454792718     -0.2288052946
 C      3.4799172470     -0.3954483022      0.1600687492
 C      3.4354790344      0.7252210639      0.6262069700
 C      2.9876112801      1.9505628882      0.8335900464
 C      2.2165323649      2.8591251511      0.9958420123
18
# ORCA AIMD Position Step 288, t=288.00 fs, E_Pot=-685.23843283 Hartree, Unit is Angstrom
 C      1.0168592690      3.4800778638      1.0415019822
 C     -0.1818334759      3.6279470822      0.9844898439
 C     -1.4308039769      3.2129188783      0.7296973895
 C     -2.3864531947      2.5584343097      0.4758597553
 C     -3.2963875814      1.5560469003      0.1557531653
 C     -3.6722505733      0.4580530830     -0.0968880060
 C     -3.5557023467     -0.8501586085     -0.2979528115
 C     -3.0391878391     -1.9234928863     -0.5549521812
 C     -2.0874353338     -2.8750714162     -0.8990964832
 C     -1.0349379003     -3.4339434719     -1.0804092761
 C      0.2754785422     -3.5951395485     -1.1840726161
 C      1.4676319258     -3.3350040168     -1.0525117342
 C      2.5499356485     -2.6134561647     -0.6588807455
 C      3.1336170941     -1.6471664525     -0.2276386448
 C      3.4803398490     -0.3878948181      0.1567648172
 C      3.4345768474      0.7209197560      0.6289822624
 C      2.9937272298      1.9439804583      0.8372684859
 C      2.2132281051      2.8516137043      1.0096048793
18
# ORCA AIMD Position Step 289, t=289.00 fs, E_Pot=-685.23978339 Hartree, Unit is Angstrom
 C      1.0231668178      3.4716830012      1.0435631653
 C     -0.1762813399      3.6218806813      0.9777811749
 C     -1.4323141510      3.2142152646      0.7298785738
 C     -2.3939537598      2.5646202442      0.4771146915
 C     -3.2924044698      1.5561656938      0.1625494356
 C     -3.6737379625      0.4535466070     -0.0969417609
 C     -3.5580795836     -0.8513415057     -0.3001369089
 C     -3.0418143567     -1.9225722110     -0.5594853852
 C     -2.0968007222     -2.8656274261     -0.9033253070
 C     -1.0376256701     -3.4264164339     -1.0820255139
 C      0.2739698277     -3.5960076728     -1.1848534593
 C      1.4694341362     -3.3318741463     -1.0592082554
 C      2.5491258092     -2.6103713781     -0.6612163317
 C      3.1434163046     -1.6480000761     -0.2263889275
 C      3.4807714825     -0.3818627888      0.1534647023
 C      3.4342554798      0.7161788354      0.6313012983
 C      2.9996131790      1.9384469698      0.8414092329
 C      2.2095479180      2.8446284294      1.0234007498
18
# ORCA AIMD Position Step 290, t=290.00 fs, E_Pot=-685.24153862 Hartree, Unit is Angstrom
 C      1.0296699199      3.4634840775      1.0457085024
 C     -0.1706958257      3.6158212612      0.9710484093
 C     -1.4326105089      3.2167123164      0.7304958304
 C     -2.4041827196      2.5689385130      0.4776437787
 C     -3.2870725905      1.5586675716      0.1699379074
 C     -3.6756947120      0.4486793448     -0.0968870269
 C     -3.5603255989     -0.8539043442     -0.3028251764
 C     -3.0438713347     -1.9222564705     -0.5643592549
 C     -2.1072447209     -2.8554855762     -0.9070478042
 C     -1.0410414053     -3.4188551909     -1.0837849496
 C      0.2746017700     -3.5968070678     -1.1855227977
 C      1.4703518957     -3.3289540052     -1.0657167368
 C      2.5478879085     -2.6075712059     -0.6638319735
 C      3.1536124595     -1.6480708552     -0.2251499768
 C      3.4812451969     -0.3781281037      0.1499053189
 C      3.4345185074      0.7115726850      0.6333919589
 C      3.0049129697      1.9344037884      0.8461262951
 C      2.2061224324      2.8376747776      1.0371096425
18
# ORCA AIMD Position Step 291, t=291.00 fs, E_Pot=-685.24281895 Hartree, Unit is Angstrom
 C      1.0359891753      3.4556360504      1.0479371106
 C     -0.1652017188      3.6097403201      0.9643029322
 C     -1.4319711521      3.2201526189      0.7314298044
 C     -2.4164736886      2.5718306190      0.4776436503
 C     -3.2808718769      1.5626091219      0.1776528664
 C     -3.6778515303      0.4442348214     -0.0965351816
 C     -3.5625458840     -0.8575853110     -0.3059515151
 C     -3.0455118070     -1.9225071999     -0.5695348616
 C     -2.1180196380     -2.8451577939     -0.9104244995
 C     -1.0453345788     -3.4111097390     -1.0856380531
 C      0.2770442357     -3.5974643701     -1.1860806605
 C      1.4704216202     -3.3262296400     -1.0719874110
 C      2.5464118284     -2.6048124197     -0.6666147827
 C      3.1639656405     -1.6476309513     -0.2240753266
 C      3.4818084918     -0.3772088207      0.1459066553
 C      3.4353437744      0.7076076214      0.6354458796
 C      3.0094066190      1.9320684776      0.8514918021
 C      2.2034779868      2.8303809644      1.0506339477
18
# ORCA AIMD Position Step 292, t=292.00 fs, E_Pot=-685.24292667 Hartree, Unit is Angstrom
 C      1.0418090290      3.4482722136      1.0502473717
 C     -0.1599210775      3.6036139431      0.9575562711
 C     -1.4309285144      3.2241279645      0.7324994989
 C     -2.4298480941      2.5739924786      0.4773969154
 C     -3.2743697226      1.5669204956      0.1853932236
 C     -3.6799289473      0.4409142525     -0.0957066355
 C     -3.5648687772     -0.8619896786     -0.3094214175
 C     -3.0469258896     -1.9232674882     -0.5749645285
 C     -2.1283721052     -2.8351778152     -0.9136291650
 C     -1.0505088932     -3.4030712359     -1.0875515065
 C      0.2806794597     -3.5979314712     -1.1865392220
 C      1.4698765340     -3.3236309379     -1.0779504838
 C      2.5448976962     -2.6018417700     -0.6694456105
 C      3.1741936176     -1.6470524201     -0.2233560916
 C      3.4825173685     -0.3792425736      0.1414224432
 C      3.4366955338      0.7045982286      0.6375681387
 C      3.0130455056      1.9314041376      0.8575260311
 C      2.2019587646      2.8225531929      1.0639166745
18
# ORCA AIMD Position Step 293, t=293.00 fs, E_Pot=-685.24170114 Hartree, Unit is Angstrom
 C      1.0469120265      3.4414828797      1.0526413457
 C     -0.1549776001      3.5974182297      0.9508135921
 C     -1.4301047912      3.2281886577      0.7335081209
 C     -2.4432115685      2.5762331421      0.4772167204
 C     -3.2681378324      1.5705858175      0.1928728807
 C     -3.6816834541      0.4392027595     -0.0942647474
 C     -3.5674304816     -0.8666401365     -0.3131236677
 C     -3.0483401049     -1.9244432497     -0.5805925174
 C     -2.1376270181     -2.8260497049     -0.9168331826
 C     -1.0564170449     -3.3946914372     -1.0895137577
 C      0.2847203917     -3.5981809288     -1.1869179378
 C      1.4690838389     -3.3210457445     -1.0835276174
 C      2.5435185745     -2.5984477052     -0.6722242903
 C      3.1840154688     -1.6467694551     -0.2231945914
 C      3.4834311090     -0.3839375426      0.1365683644
 C      3.4385372938      0.7025922805      0.6397430464
 C      3.0159555769      1.9321316601      0.8641993002
 C      2.2016813665      2.8142032573      1.0769484441
18
# ORCA AIMD Position Step 294, t=294.00 fs, E_Pot=-685.23957962 Hartree, Unit is Angstrom
 C      1.0511736125      3.4353168407      1.0551216297
 C     -0.1504846189      3.5911353159      0.9440796083
 C     -1.4300760511      3.2319316130      0.7342765496
 C     -2.4555421624      2.5793417353      0.4773977076
 C     -3.2626871339      1.5727498038      0.1998509121
 C     -3.6829347094      0.4393336372     -0.0921267474
 C     -3.5703570170     -0.8710348952     -0.3169446137
 C     -3.0500053182     -1.9259028712     -0.5863573900
 C     -2.1452323088     -2.8182098765     -0.9201941451
 C     -1.0627937817     -3.3859820880     -1.0915319846
 C      0.2883459659     -3.5981953705     -1.1872417759
 C      1.4684506797     -3.3183445028     -1.0886404123
 C      2.5424107719     -2.5944803053     -0.6748815555
 C      3.1931713854     -1.6472321647     -0.2237830001
 C      3.4846169224     -0.3906473932      0.1315940702
 C      3.4408440707      0.7013739047      0.6418446077
 C      3.0184020939      1.9338072381      0.8714405418
 C      2.2025582434      2.8055164880      1.0897692960
18
# ORCA AIMD Position Step 295, t=295.00 fs, E_Pot=-685.23743472 Hartree, Unit is Angstrom
 C      1.0545430578      3.4297788458      1.0576957431
 C     -0.1465473983      3.5847450399      0.9373527036
 C     -1.4312756554      3.2350542048      0.7346679551
 C     -2.4660177957      2.5839672553      0.4781748100
 C     -3.2583981501      1.5728371882      0.2061664766
 C     -3.6835775754      0.4412703214     -0.0892740811
 C     -3.5737488163     -0.8747179811     -0.3207821615
 C     -3.0521952918     -1.9274548820     -0.5921889674
 C     -2.1508102272     -2.8119954761     -0.9238426579
 C     -1.0692644658     -3.3770247381     -1.0936360066
 C      0.2908396411     -3.5979509327     -1.1875302880
 C      1.4683221554     -3.3154093426     -1.0932266661
 C      2.5416435990     -2.5898924912     -0.6773952930
 C      3.2014684294     -1.6488380988     -0.2252780215
 C      3.4861412400     -0.3984689678      0.1268524419
 C      3.4436008977      0.7005358605      0.6436606045
 C      3.0207581486      1.9358618908      0.8791482035
 C      2.2043243221      2.7968235749      1.1024563448
18
# ORCA AIMD Position Step 296, t=296.00 fs, E_Pot=-685.23617017 Hartree, Unit is Angstrom
 C      1.0570068102      3.4248450360      1.0603726176
 C     -0.1432442560      3.5782317137      0.9306338050
 C     -1.4339549407      3.2373762558      0.7345949695
 C     -2.4741074883      2.5905256469      0.4796983884
 C     -3.2554760920      1.5706104899      0.2117514556
 C     -3.6835846067      0.4447545005     -0.0857460699
 C     -3.5776640497     -0.8773384743     -0.3245584609
 C     -3.0551774098     -1.9288669215     -0.5980140008
 C     -2.1541903907     -2.8076118615     -0.9278671368
 C     -1.0753817354     -3.3679651495     -1.0958737550
 C      0.2917084975     -3.5974045560     -1.1877941625
 C      1.4688840951     -3.3121654117     -1.0972486904
 C      2.5412208263     -2.5847425640     -0.6797910223
 C      3.2087973373     -1.6518769636     -0.2277814037
 C      3.4880683155     -0.4064114730      0.1227327411
 C      3.4468015713      0.6995819183      0.6449432060
 C      3.0234392775      1.9376938022      0.8872044293
 C      2.2066165184      2.7885260902      1.1151041431
18
# ORCA AIMD Position Step 297, t=297.00 fs, E_Pot=-685.23624700 Hartree, Unit is Angstrom
 C      1.0585582101      3.4204784841      1.0631583636
 C     -0.1406234209      3.5715900863      0.9239335792
 C     -1.4381575806      3.2388458836      0.7340225699
 C     -2.4796233095      2.5991288019      0.4820172873
 C     -3.2539191287      1.5662187361      0.2166369205
 C     -3.6830062766      0.4493460175     -0.0816354888
 C     -3.5821106785     -0.8786835109     -0.3282246434
 C     -3.0591733914     -1.9299004868     -0.6037636153
 C     -2.1554386321     -2.8051035378     -0.9322984194
 C     -1.0806487405     -3.3590102924     -1.0983059829
 C      0.2907573747     -3.5964847448     -1.1880325662
 C      1.4701050611     -3.3086020183     -1.1006956674
 C      2.5410765343     -2.5791998581     -0.6821408762
 C      3.2151466154     -1.6564683059     -0.2313194430
 C      3.4904532855     -0.4135648068      0.1195950337
 C      3.4504424878      0.6980308444      0.6454575125
 C      3.0268304362      1.9387563463      0.8954903798
 C      2.2090605161      2.7810190139      1.1277962485
18
# ORCA AIMD Position Step 298, t=298.00 fs, E_Pot=-685.23739883 Hartree, Unit is Angstrom
 C      1.0591835887      3.4166397869      1.0660525042
 C     -0.1387123861      3.5648290001      0.9172762682
 C     -1.4436941248      3.2395474987      0.7329713940
 C     -2.4827381069      2.6095536474      0.4850741252
 C     -3.2535165633      1.5602072379      0.2209505259
 C     -3.6819711214      0.4544510090     -0.0770868004
 C     -3.5870488603     -0.8786820473     -0.3317591125
 C     -3.0643210776     -1.9303537528     -0.6093821297
 C     -2.1548657495     -2.8043398226     -0.9371011407
 C     -1.0845430507     -3.3504203096     -1.1010006070
 C      0.2881049986     -3.5950912426     -1.1882333287
 C      1.4717256558     -3.3047801298     -1.1035833474
 C      2.5410739113     -2.5735423568     -0.6845602850
 C      3.2206138565     -1.6625072726     -0.2358251076
 C      3.4933328166     -0.4192440177      0.1177126197
 C      3.4545144272      0.6955079532      0.6450243009
 C      3.0312099959      1.9386398128      0.9039027233
 C      2.2113594995      2.7746091865      1.1405784936
18
# ORCA AIMD Position Step 299, t=299.00 fs, E_Pot=-685.23879852 Hartree, Unit is Angstrom
 C      1.0588712084      3.4132872686      1.0690486930
 C     -0.1375310580      3.5579686404      0.9106954834
 C     -1.4501290264      3.2397060256      0.7315192319
 C     -2.4839712585      2.6212691479      0.4887151313
 C     -3.2538857895      1.5534559997      0.2249017689
 C     -3.6806779252      0.4593631527     -0.0722871654
 C     -3.5924033476     -0.8773846978     -0.3351637361
 C     -3.0706474986     -1.9301013924     -0.6148391949
 C     -2.1530012554     -2.8050236460     -0.9421785114
 C     -1.0865637940     -3.3424804508     -1.1040259562
 C      0.2841407997     -3.5931068615     -1.1883773118
 C      1.4733058133     -3.3008216644     -1.1059513791
 C      2.5410116638     -2.5681361244     -0.6872010400
 C      3.2254094576     -1.6696450995     -0.2411346805
 C      3.4967185964     -0.4230966666      0.1172275614
 C      3.4589979046      0.6918155460      0.6435532703
 C      3.0366905476      1.9371320238      0.9123736544
 C      2.2133624213      2.7694446194      1.1534452716
18
# ORCA AIMD Position Step 300, t=300.00 fs, E_Pot=-685.23964713 Hartree, Unit is Angstrom
 C      1.0576314495      3.4103711963      1.0721390823
 C     -0.1371033374      3.5510347893      0.9042257893
 C     -1.4568045980      3.2396747220      0.7297947420
 C     -2.4841254004      2.6335221174      0.4927148889
 C     -3.2545474863      1.5470349445      0.2287504075
 C     -3.6793696119      0.4633442702     -0.0674430895
 C     -3.5980822661     -0.8749306324     -0.3384586947
 C     -3.0780657666     -1.9291178062     -0.6201393222
 C     -2.1505129514     -2.8067393560     -0.9473930199
 C     -1.0863027264     -3.3354542929     -1.1074418043
 C      0.2794331074     -3.5904170311     -1.1884449063
 C      1.4743163264     -3.2968814656     -1.1078574809
 C      2.5406450400     -2.5633911778     -0.6902362241
 C      3.2298376617     -1.6773301964     -0.2470078889
 C      3.5005982657     -0.4251523051      0.1181283686
 C      3.4638621188      0.6869760017      0.6410618268
 C      3.0431968969      1.9342371902      0.9208876069
 C      2.2150923962      2.7654819413      1.1663415029
18
# ORCA AIMD Position Step 301, t=301.00 fs, E_Pot=-685.23976099 Hartree, Unit is Angstrom
 C      1.0555134991      3.4078289285      1.0753178206
 C     -0.1374603573      3.5440542074      0.8978974363
 C     -1.4629178094      3.2398914981      0.7279584350
 C     -2.4841676348      2.6454632245      0.4968145731
 C     -3.2550258928      1.5420020872      0.2327578816
 C     -3.6782876303      0.4657476655     -0.0627440511
 C     -3.6039937432     -0.8715143393     -0.3416765771
 C     -3.0863986466     -1.9274720964     -0.6253202347
 C     -2.1480754727     -2.8090362998     -0.9525976471
 C     -1.0835339798     -3.3295308919     -1.1112872101
 C      0.2746179127     -3.5869316860     -1.1884233138
 C      1.4742478698     -3.2931156540     -1.1093669581
 C      2.5397252959     -2.5596963745     -0.6938345796
 C      3.2342459616     -1.6849075593     -0.2531690525
 C      3.5049432611     -0.4258017218      0.1202535618
 C      3.4690669385      0.6812415648      0.6376786752
 C      3.0504867998      1.9301491297      0.9294816486
 C      2.2167269538      2.7625052795      1.1791729600
18
# ORCA AIMD Position Step 302, t=302.00 fs, E_Pot=-685.23966329 Hartree, Unit is Angstrom
 C      1.0526302405      3.4055770884      1.0785876352
 C     -0.1386265800      3.5370596029      0.8917355480
 C     -1.4676625018      3.2408000807      0.7261710998
 C     -2.4850717278      2.6562806095      0.5007642791
 C     -3.2549415209      1.5392028975      0.2371351657
 C     -3.6776198240      0.4661564010     -0.0583234032
 C     -3.6100536777     -0.8673616893     -0.3448566933
 C     -3.0953983226     -1.9253179609     -0.6304483120
 C     -2.1462525183     -2.8115016287     -0.9576593385
 C     -1.0782852540     -3.3247845182     -1.1155695690
 C      0.2703012366     -3.5826024142     -1.1883103755
 C      1.4726961318     -3.2896554382     -1.1105430664
 C      2.5380479556     -2.5573609146     -0.6981310122
 C      3.2389615415     -1.6917357935     -0.2593563193
 C      3.5097175225     -0.4257203435      0.1233200772
 C      3.4745626909      0.6750814618      0.6336326846
 C      3.0582084437      1.9251798711      0.9382305907
 C      2.2185266876      2.7601920232      1.1918166212
18
# ORCA AIMD Position Step 303, t=303.00 fs, E_Pot=-685.24006243 Hartree, Unit is Angstrom
 C      1.0491534385      3.4035134698      1.0819568137
 C     -0.1405993881      3.5300907461      0.8857664388
 C     -1.4704025719      3.2427528448      0.7245555468
 C     -2.4876228840      2.6653384850      0.5043694095
 C     -3.2540941190      1.5390860857      0.2419921507
 C     -3.6774470364      0.4645183307     -0.0542212786
 C     -3.6161874864     -0.8627227409     -0.3480420961
 C     -3.1047855059     -1.9228569221     -0.6356023587
 C     -2.1453782903     -2.8138341182     -0.9624833862
 C     -1.0709034574     -3.3211497479     -1.1202533961
 C      0.2669788769     -3.5774385193     -1.1881204701
 C      1.4694422291     -3.2865879020     -1.1114357684
 C      2.5355146680     -2.5565373219     -0.7031879027
 C      3.2442075577     -1.6973218435     -0.2653736771
 C      3.5148853736     -0.4257483795      0.1269650774
 C      3.4802940956      0.6691180410      0.6292268076
 C      3.0659604200      1.9196963563      0.9472214508
 C      2.2207649475      2.7581847859      1.2041344742
18
# ORCA AIMD Position Step 304, t=304.00 fs, E_Pot=-685.24115058 Hartree, Unit is Angstrom
 C      1.0453119665      3.4015170620      1.0854388734
 C     -0.1433182148      3.5231997117      0.8800235246
 C     -1.4708559885      3.2459142757      0.7231614366
 C     -2.4922403401      2.6722848624      0.5075270024
 C     -3.2524949453      1.5416235090      0.2473140620
 C     -3.6777207823      0.4611981714     -0.0503704466
 C     -3.6223254093     -0.8578694213     -0.3512775716
 C     -3.1142709414     -1.9203140541     -0.6408620185
 C     -2.1455253841     -2.8158632513     -0.9670181212
 C     -1.0620473084     -3.3184300430     -1.1252597704
 C      0.2649795879     -3.5715150937     -1.1878855306
 C      1.4644964461     -3.2839452166     -1.1120763949
 C      2.5321762788     -2.5571804163     -0.7089704567
 C      3.2500459564     -1.7014105185     -0.2711261478
 C      3.5204145537     -0.4267406212      0.1308053443
 C      3.4862035992      0.6640285847      0.6247938632
 C      3.0733528048      1.9140542245      0.9565290355
 C      2.2236522832      2.7561642160      1.2159833292
18
# ORCA AIMD Position Step 305, t=305.00 fs, E_Pot=-685.24235288 Hartree, Unit is Angstrom
 C      1.0413783541      3.3994507477      1.0890512271
 C     -0.1466424121      3.5164513098      0.8745502103
 C     -1.4692062295      3.2502072596      0.7219481478
 C     -2.4988765734      2.6771069199      0.5102421267
 C     -3.2503486776      1.5463479493      0.2529720454
 C     -3.6782785855      0.4569170720     -0.0466110998
 C     -3.6284014468     -0.8530818546     -0.3546070535
 C     -3.1235716515     -1.9179202067     -0.6463015123
 C     -2.1465402368     -2.8175320518     -0.9712506573
 C     -1.0526093545     -3.3163338537     -1.1304766751
 C      0.2644159806     -3.5649720875     -1.1876540174
 C      1.4581245530     -3.2816965995     -1.1124746654
 C      2.5282428681     -2.5590457977     -0.7153434650
 C      3.2563561961     -1.7040206850     -0.2766335962
 C      3.5262762000     -0.4294032786      0.1345068399
 C      3.4922385981      0.6604109475      0.6206367957
 C      3.0800575874      1.9085478033      0.9661988612
 C      2.2272842202      2.7539009517      1.2272290080
18
# ORCA AIMD Position Step 306, t=306.00 fs, E_Pot=-685.24274038 Hartree, Unit is Angstrom
 C      1.0376467484      3.3971661473      1.0928151598
 C     -0.1503425788      3.5099171203      0.8693981505
 C     -1.4660831333      3.2553320644      0.7207945071
 C     -2.5070481053      2.6801059633      0.5126166394
 C     -3.2479912033      1.5524950574      0.2587635429
 C     -3.6788917661      0.4525948869     -0.0427289134
 C     -3.6343537086     -0.8486300964     -0.3580727700
 C     -3.1324270471     -1.9158931122     -0.6519872134
 C     -2.1481316525     -2.8188550756     -0.9751960662
 C     -1.0435839931     -3.3145277607     -1.1357785137
 C      0.2651528337     -3.5580045937     -1.1874880336
 C      1.4508470451     -3.2797453629     -1.1126188363
 C      2.5240515743     -2.5617348768     -0.7220952104
 C      3.2628614594     -1.7054196021     -0.2820191428
 C      3.5324464836     -0.4341426150      0.1378522332
 C      3.4983611920      0.6586397611      0.6169646398
 C      3.0858427072      1.9033782857      0.9762436135
 C      2.2316183225      2.7512831729      1.2377617518
18
# ORCA AIMD Position Step 307, t=307.00 fs, E_Pot=-685.24171427 Hartree, Unit is Angstrom
 C      1.0343983925      3.3945126160      1.0967517806
 C     -0.1541092775      3.5036639086      0.8646252907
 C     -1.4624131993      3.2608518846      0.7195314101
 C     -2.5159777695      2.6818102900      0.5148163422
 C     -3.2458172188      1.5591793647      0.2644626923
 C     -3.6793246395      0.4491508934     -0.0385048032
 C     -3.6401268155     -0.8447434775     -0.3617120382
 C     -3.1406190285     -1.9144183894     -0.6579758772
 C     -2.1499630674     -2.8198778915     -0.9788862808
 C     -1.0359140818     -3.3126927722     -1.1410472905
 C      0.2668052530     -3.5508392284     -1.1874585594
 C      1.4433859322     -3.2779404742     -1.1124790644
 C      2.5200084978     -2.5647742126     -0.7289804295
 C      3.2691924981     -1.7060466816     -0.2874753572
 C      3.5389098815     -0.4409770816      0.1407804888
 C      3.5045577100      0.6587680946      0.6138528736
 C      3.0905848783      1.8986465178      0.9866465960
 C      2.2364821122      2.7483181897      1.2475110422
18
# ORCA AIMD Position Step 308, t=308.00 fs, E_Pot=-685.23944707 Hartree, Unit is Angstrom
 C      1.0318782277      3.3913465218      1.1008820714
 C     -0.1575876700      3.4977486938      0.8602911703
 C     -1.4592209290      3.2662940969      0.7179817103
 C     -2.5247909468      2.6828395756      0.5170261958
 C     -3.2442036448      1.5655681635      0.2698667231
 C     -3.6793782569      0.4473352260     -0.0337574190
 C     -3.6456712909     -0.8415882850     -0.3655541258
 C     -3.1479814521     -1.9136311456     -0.6643126008
 C     -2.1517448663     -2.8206387827     -0.9823582748
 C     -1.0303706779     -3.3105680443     -1.1461889185
 C      0.2687883654     -3.5437084949     -1.1876392396
 C      1.4365870262     -3.2760951368     -1.1120133300
 C      2.5165176772     -2.5676980364     -0.7357620107
 C      3.2749610245     -1.7064129017     -0.2932232309
 C      3.5456584742     -0.4495449379      0.1433882931
 C      3.5108391178      0.6605182553      0.6112386976
 C      3.0942660684      1.8943539744      0.9973688029
 C      2.2416056735      2.7451117945      1.2564470759
18
# ORCA AIMD Position Step 309, t=309.00 fs, E_Pot=-685.23684597 Hartree, Unit is Angstrom
 C      1.0302593982      3.3875413960      1.1052211268
 C     -0.1604063440      3.4922086234      0.8564555090
 C     -1.4574399410      3.2712399968      0.7159924274
 C     -2.5326768334      2.6838005237      0.5194162519
 C     -3.2434662452      1.5709881319      0.2748237103
 C     -3.6789197948      0.4476193325     -0.0283734197
 C     -3.6509365330     -0.8392590149     -0.3696177246
 C     -3.1544098770     -1.9135944480     -0.6710253875
 C     -2.1532849673     -2.8211502248     -0.9856466708
 C     -1.0274825728     -3.3079730235     -1.1511412029
 C      0.2704203769     -3.5368207965     -1.1880994967
 C      1.4312804147     -3.2740254260     -1.1111810228
 C      2.5139346823     -2.5701115918     -0.7422437729
 C      3.2798285029     -1.7070063518     -0.2994700093
 C      3.5526928228     -0.4591843935      0.1458954122
 C      3.5172380326      0.6633417404      0.6089495534
 C      3.0969554584      1.8904197133      1.0083597242
 C      2.2466630372      2.7418399108      1.2645770207
18
# ORCA AIMD Position Step 310, t=310.00 fs, E_Pot=-685.23510372 Hartree, Unit is Angstrom
 C      1.0296300881      3.3829971967      1.1097735212
 C     -0.1622299202      3.4870607690      0.8531751454
 C     -1.4577735890      3.2753773265      0.7134552225
 C     -2.5390048058      2.6851888878      0.5221163759
 C     -3.2438223090      1.5750060639      0.2792477958
 C     -3.6778906949      0.4501522661     -0.0223221797
 C     -3.6558672100     -0.8377803008     -0.3739082150
 C     -3.1598616753     -1.9142903984     -0.6781200201
 C     -2.1545181675     -2.8213893629     -0.9887775354
 C     -1.0275102275     -3.3048173516     -1.1558745990
 C      0.2710660294     -3.5303321886     -1.1888961341
 C      1.4281344455     -3.2715875051     -1.1099548363
 C      2.5125353774     -2.5717272875     -0.7482854000
 C      3.2835494738     -1.7082131157     -0.3063749184
 C      3.5600168819     -0.4690890642      0.1485790619
 C      3.5237982037      0.6665483812      0.6067601143
 C      3.0987784704      1.8867082631      1.0195603922
 C      2.2513223324      2.7387065794      1.2719343393
18
# ORCA AIMD Position Step 311, t=311.00 fs, E_Pot=-685.23503889 Hartree, Unit is Angstrom
 C      1.0299767478      3.3776533146      1.1145252861
 C     -0.1627972584      3.4823044727      0.8505045725
 C     -1.4606067421      3.2785252333      0.7103190221
 C     -2.5433811854      2.6873331033      0.5252009682
 C     -3.2453739736      1.5774559394      0.2831199514
 C     -3.6763084377      0.4547631761     -0.0156634400
 C     -3.6603929698     -0.8371247000     -0.3784140885
 C     -3.1643536669     -1.9156091886     -0.6855679818
 C     -2.1555114547     -2.8212990310     -0.9917643973
 C     -1.0304529879     -3.3011017864     -1.1603859486
 C      0.2702956436     -3.5243278576     -1.1900633687
 C      1.4274996888     -3.2687218699     -1.1083386595
 C      2.5125070677     -2.5723769446     -0.7538018760
 C      3.2860001206     -1.7102577175     -0.3140171100
 C      3.5676276429     -0.4784451562      0.1517097331
 C      3.5305572478      0.6694255777      0.6044471166
 C      3.0998831516      1.8830639478      1.0308992352
 C      2.2552928102      2.7359031518      1.2785590103
18
# ORCA AIMD Position Step 312, t=312.00 fs, E_Pot=-685.23658316 Hartree, Unit is Angstrom
 C      1.0311796430      3.3715038738      1.1194363997
 C     -0.1619634149      3.4779274063      0.8484920810
 C     -1.4659473881      3.2806450252      0.7065993859
 C     -2.5456840895      2.6903505445      0.5286781509
 C     -3.2480929995      1.5784572302      0.2864861746
 C     -3.6742654448      0.4609816457     -0.0085513206
 C     -3.6644255899     -0.8372277328     -0.3831044160
 C     -3.1679576281     -1.9173508023     -0.6932955005
 C     -2.1564579853     -2.8207933601     -0.9946046196
 C     -1.0360578604     -3.2969169811     -1.1646914025
 C      0.2680047855     -3.5188121299     -1.1916028444
 C      1.4293011182     -3.2654820389     -1.1063802353
 C      2.5139362149     -2.5720216506     -0.7587617689
 C      3.2871984971     -1.7131536646     -0.3223662035
 C      3.5754975105     -0.4865528298      0.1554957875
 C      3.5375282646      0.6713438513      0.6018337844
 C      3.1004136440      1.8793406480      1.0422827831
 C      2.2583694127      2.7335691892      1.2844848615
18
# ORCA AIMD Position Step 313, t=313.00 fs, E_Pot=-685.23874271 Hartree, Unit is Angstrom
 C      1.0330195641      3.3645990424      1.1244436277
 C     -0.1597187902      3.4739037326      0.8471724726
 C     -1.4734095798      3.2818472280      0.7023778669
 C     -2.5460805802      2.6941396054      0.5324904628
 C     -3.2518228208      1.5784038723      0.2894560536
 C     -3.6719268934      0.4680833134     -0.0012213817
 C     -3.6678647921     -0.8380040213     -0.3879312277
 C     -3.1707970552     -1.9192390539     -0.7011904986
 C     -2.1576595842     -2.8197672951     -0.9972822728
 C     -1.0438541232     -3.2924310369     -1.1688238696
 C      0.2644515161     -3.5137119382     -1.1934802680
 C      1.4330205468     -3.2620354458     -1.1041776332
 C      2.5168004235     -2.5707493410     -0.7631888182
 C      3.2873206426     -1.7166858523     -0.3312706594
 C      3.5835765396     -0.4929251804      0.1600412666
 C      3.5446941920      0.6718400900      0.5988226329
 C      3.1004828077      1.8754300574      1.0536072905
 C      2.2604680592      2.7317584132      1.2897334589
18
# ORCA AIMD Position Step 314, t=314.00 fs, E_Pot=-685.24016189 Hartree, Unit is Angstrom
 C      1.0352177531      3.3570315357      1.1294761703
 C     -0.1562034390      3.4701940007      0.8465577098
 C     -1.4822359097      3.2823951547      0.6977924473
 C     -2.5450315644      2.6983868120      0.5365245509
 C     -3.2563025437      1.5779168541      0.2921962072
 C     -3.6695114619      0.4751723842      0.0060393494
 C     -3.6706199807     -0.8393384175     -0.3928353228
 C     -3.1730342399     -1.9209647241     -0.7091244337
 C     -2.1594977742     -2.8181056058     -0.9997749955
 C     -1.0531958788     -3.2878694272     -1.1728366101
 C      0.2601639342     -3.5088887941     -1.1956321191
 C      1.4378117093     -3.2586263998     -1.1018631673
 C      2.5209542052     -2.5687831512     -0.7671751541
 C      3.2867020715     -1.7204148746     -0.3404713601
 C      3.5917957258     -0.4973568217      0.1653357701
 C      3.5520096347      0.6706855225      0.5954122410
 C      3.1001697809      1.8712568954      1.0647690693
 C      2.2616417923      2.7304198744      1.2943211119
18
# ORCA AIMD Position Step 315, t=315.00 fs, E_Pot=-685.23995963 Hartree, Unit is Angstrom
 C      1.0374839096      3.3489175798      1.1344692572
 C     -0.1516875717      3.4667505219      0.8466311453
 C     -1.4913924162      3.2826766241      0.6930183175
 C     -2.5432388171      2.7026157231      0.5406308590
 C     -3.2612154505      1.5777408080      0.2949051152
 C     -3.6672594780      0.4813033948      0.0129342144
 C     -3.6726272548     -0.8410867587     -0.3977498995
 C     -3.1748521843     -1.9222321957     -0.7169788230
 C     -2.1623784427     -2.8156999919     -1.0020631437
 C     -1.0633463216     -3.2834823331     -1.1767971800
 C      0.2557847101     -3.5041667678     -1.1979796270
 C      1.4426952784     -3.2555163638     -1.0995785157
 C      2.5261318119     -2.5664637246     -0.7708765030
 C      3.2858031814     -1.7237302753     -0.3496341986
 C      3.6000857676     -0.4999422038      0.1712568480
 C      3.5594103837      0.6679072305      0.5916948142
 C      3.0995225474      1.8667728081      1.0756782990
 C      2.2620608390      2.7294096219      1.2982696212
18
# ORCA AIMD Position Step 316, t=316.00 fs, E_Pot=-685.23830267 Hartree, Unit is Angstrom
 C      1.0395482870      3.3403821188      1.1393731664
 C     -0.1465185701      3.4635243693      0.8473535131
 C     -1.4997222091      3.2831489218      0.6882421593
 C     -2.5415264065      2.7062848433      0.5446521938
 C     -3.2662664800      1.5785735459      0.2977715122
 C     -3.6653881331      0.4856336403      0.0192009022
 C     -3.6738561784     -0.8430822676     -0.4026044021
 C     -3.1764438134     -1.9227835926     -0.7246559311
 C     -2.1666481930     -2.8124813773     -1.0041428007
 C     -1.0735881730     -3.2795055425     -1.1807762854
 C      0.2519213321     -3.4993662426     -1.2004426492
 C      1.4467392078     -3.2529392673     -1.0974573529
 C      2.5319887280     -2.5642030838     -0.7744900605
 C      3.2851482895     -1.7259487196     -0.3583982719
 C      3.6083871467     -0.5010192191      0.1775978890
 C      3.5668189388      0.6637709114      0.5878467430
 C      3.0985580225      1.8619505604      1.0862619070
 C      2.2619906677      2.7285041522      1.3016034664
18
# ORCA AIMD Position Step 317, t=317.00 fs, E_Pot=-685.23628999 Hartree, Unit is Angstrom
 C      1.0412105523      3.3315395930      1.1441601185
 C     -0.1410972992      3.4604727586      0.8486662260
 C     -1.5061124891      3.2842612442      0.6836365043
 C     -2.5406917544      2.7088881720      0.5484506448
 C     -3.2712447980      1.5809146039      0.3009361226
 C     -3.6640486442      0.4875472030      0.0246440495
 C     -3.6743175977     -0.8451155172     -0.4073194178
 C     -3.1779865261     -1.9224345510     -0.7320882834
 C     -2.1725270594     -2.8084408691     -1.0060335046
 C     -1.0833044100     -3.2761292168     -1.1848355945
 C      0.2490118076     -3.4943312619     -1.2029519841
 C      1.4492194127     -3.2510567703     -1.0956030287
 C      2.5381429891     -2.5624309643     -0.7782262688
 C      3.2852511518     -1.7264051905     -0.3664197532
 C      3.6166545431     -0.5011244235      0.1840874307
 C      3.5741474764      0.6587559454      0.5841178983
 C      3.0972863171      1.8567572366      1.0964548290
 C      2.2617285817      2.7274509004      1.3043492437
18
# ORCA AIMD Position Step 318, t=318.00 fs, E_Pot=-685.23520078 Hartree, Unit is Angstrom
 C      1.0423526736      3.3224887148      1.1488220382
 C     -0.1358380049      3.4575670894      0.8504982430
 C     -1.5096954004      3.2863543244      0.6793338035
 C     -2.5413148243      2.7100787602      0.5519354539
 C     -3.2760769365      1.5849229977      0.3044546672
 C     -3.6632911939      0.4867703477      0.0291613387
 C     -3.6740641327     -0.8469376861     -0.4118047800
 C     -3.1796386901     -1.9210792567     -0.7392360737
 C     -2.1800309973     -2.8036654065     -1.0077879086
 C     -1.0920551169     -3.2734669550     -1.1890120292
 C      0.2472607757     -3.4889491930     -1.2054564506
 C      1.4496993148     -3.2499385979     -1.0940808917
 C      2.5442492958     -2.5615089212     -0.7822631554
 C      3.2865209211     -1.7245796254     -0.3734242913
 C      3.6248581585     -0.5009019198      0.1904217540
 C      3.5813004538      0.6534931181      0.5808095855
 C      3.0957218993      1.8511485219      1.1061918765
 C      2.2615642204      2.7259996382      1.3065340971
18
# ORCA AIMD Position Step 319, t=319.00 fs, E_Pot=-685.23559099 Hartree, Unit is Angstrom
 C      1.0429434862      3.3133166872      1.1533642837
 C     -0.1311373996      3.4547967287      0.8527719470
 C     -1.5100196561      3.2895666876      0.6754118568
 C     -2.5435933769      2.7097678104      0.5550790478
 C     -3.2808436549      1.5903521119      0.3082789673
 C     -3.6630534970      0.4834224952      0.0327510667
 C     -3.6731892428     -0.8482628098     -0.4159568600
 C     -3.1815308125     -1.9186952957     -0.7460797075
 C     -2.1889268399     -2.7983557820     -1.0094943630
 C     -1.0996154531     -3.2715398846     -1.1933040822
 C      0.2466143992     -3.4831648957     -1.2079251029
 C      1.4480665165     -3.2495598635     -1.0929133852
 C      2.5500687116     -2.5616452769     -0.7866984627
 C      3.2891726893     -1.7202114150     -0.3792526765
 C      3.6329764549     -0.5010020286      0.1962971874
 C      3.5881752807      0.6486794954      0.5782441219
 C      3.0938997663      1.8450691715      1.1153918397
 C      2.2617375542      2.7239393127      1.3081851054
18
# ORCA AIMD Position Step 320, t=320.00 fs, E_Pot=-685.23694559 Hartree, Unit is Angstrom
 C      1.0430318336      3.3041019836      1.1577978354
 C     -0.1273417219      3.4521687286      0.8554090075
 C     -1.5071413781      3.2937851829      0.6718912103
 C     -2.5472646818      2.7081710457      0.5579181820
 C     -3.2857543485      1.5965853728      0.3122643611
 C     -3.6631793106      0.4779840763      0.0355004374
 C     -3.6718235317     -0.8487814998     -0.4196599796
 C     -3.1837618810     -1.9153427389     -0.7526145893
 C     -2.1987392657     -2.7928237798     -1.0112732232
 C     -1.1059727784     -3.2702757432     -1.1976677180
 C      0.2467648614     -3.4769873976     -1.2103478691
 C      1.4445357662     -3.2498047346     -1.0920810780
 C      2.5555166892     -2.5628330563     -0.7915167287
 C      3.2931690486     -1.7133819280     -0.3838937290
 C      3.6409921014     -0.5019628489      0.2014519983
 C      3.5946691542      0.6449662168      0.5767221562
 C      3.0918844190      1.8384583592      1.1239541263
 C      2.2624058515      2.7211241485      1.3093320794
18
# ORCA AIMD Position Step 321, t=321.00 fs, E_Pot=-685.23815862 Hartree, Unit is Angstrom
 C      1.0427285600      3.2949059831      1.1621370846
 C     -0.1247084027      3.4497018747      0.8583373214
 C     -1.5015893544      3.2986697428      0.6687431833
 C     -2.5516645061      2.7057645952      0.5605394014
 C     -3.2910916759      1.6027756838      0.3162052312
 C     -3.6634606403      0.4711859781      0.0375636367
 C     -3.6701246684     -0.8481891817     -0.4227993755
 C     -3.1863959696     -1.9111539992     -0.7588552240
 C     -2.2088264305     -2.7874519182     -1.0132644948
 C     -1.1112907614     -3.2695259821     -1.2020282382
 C      0.2471885485     -3.4704801283     -1.2127355119
 C      1.4396126249     -3.2504787731     -1.0915271945
 C      2.5606709639     -2.5648448688     -0.7965921718
 C      3.2982223764     -1.7045228311     -0.3874960604
 C      3.6488987310     -0.5040911409      0.2057168834
 C      3.6006951149      0.6428284130      0.5764729846
 C      3.0897686464      1.8312512096      1.1317787812
 C      2.2636271177      2.7174877207      1.3100099108
18
# ORCA AIMD Position Step 322, t=322.00 fs, E_Pot=-685.23840258 Hartree, Unit is Angstrom
 C      1.0421767627      3.2857629797      1.1663991148
 C     -0.1233709328      3.4474169252      0.8615042989
 C     -1.4942084706      3.3037442285      0.6659056980
 C     -2.5559095288      2.7031576748      0.5630511966
 C     -3.2971392563      1.6080396947      0.3198874369
 C     -3.6636885029      0.4638567601      0.0391291132
 C     -3.6682588649     -0.8462230751     -0.4252770953
 C     -3.1894596700     -1.9063116217     -0.7648377855
 C     -2.2185016657     -2.7826293448     -1.0156111677
 C     -1.1158420353     -3.2690988136     -1.2063005960
 C      0.2472258681     -3.4637394658     -1.2151179598
 C      1.4340063494     -3.2513355218     -1.0911660824
 C      2.5657282230     -2.5672924611     -0.8017259155
 C      3.3038635931     -1.6943343136     -0.3903398413
 C      3.6567069988     -0.5073811573      0.2090531947
 C      3.6062018561      0.6424614537      0.5776154912
 C      3.0876654068      1.8233812555      1.1387826616
 C      2.2653566045      2.7130417609      1.3102596590
18
# ORCA AIMD Position Step 323, t=323.00 fs, E_Pot=-685.23763980 Hartree, Unit is Angstrom
 C      1.0415166347      3.2766814825      1.1705972447
 C     -0.1233214045      3.4453290151      0.8648850790
 C     -1.4859662230      3.3085001010      0.6633045354
 C     -2.5591097379      2.7009386724      0.5655523682
 C     -3.3041101671      1.6116426563      0.3231332030
 C     -3.6636933001      0.4567864506      0.0403881747
 C     -3.6663780075     -0.8427032748     -0.4270271962
 C     -3.1929441839     -1.9010201740     -0.7706168294
 C     -2.2271553608     -2.7786878217     -1.0184385071
 C     -1.1199301006     -3.2687973406     -1.2104063206
 C      0.2461979682     -3.4568704574     -1.2175360778
 C      1.4285051719     -3.2521084842     -1.0908992909
 C      2.5709278882     -2.5697231249     -0.8066928145
 C      3.3095444256     -1.6836553982     -0.3927842330
 C      3.6644469047     -0.5115089773      0.2115560833
 C      3.6111811017      0.6437494365      0.5801486630
 C      3.0856914732      1.8147910296      1.1449133133
 C      2.2674647634      2.7078608749      1.3101256196
18
# ORCA AIMD Position Step 324, t=324.00 fs, E_Pot=-685.23649720 Hartree, Unit is Angstrom
 C      1.0408529728      3.2676529266      1.1747350174
 C     -0.1244094671      3.4434449230      0.8684855420
 C     -1.4777927904      3.3124785105      0.6608698440
 C     -2.5605416234      2.6995469199      0.5681069661
 C     -3.3120943697      1.6131250736      0.3258321073
 C     -3.6633665692      0.4506420857      0.0415124960
 C     -3.6646007776     -0.8375718806     -0.4280276028
 C     -3.1968077408     -1.8954756725     -0.7762520769
 C     -2.2343411837     -2.7758553995     -1.0218400101
 C     -1.1238245337     -3.2684516830     -1.2142861624
 C      0.2435413805     -3.4499638874     -1.2200284878
 C      1.4238318903     -3.2525458403     -1.0906331449
 C      2.5764782465     -2.5717129666     -0.8112866596
 C      3.3147349828     -1.6733301964     -0.3952038666
 C      3.6721605913     -0.5159016157      0.2134270360
 C      3.6156672049      0.6463039897      0.5839650725
 C      3.0839501255      1.8054512804      1.1501534810
 C      2.2697666551      2.7020574093      1.3096518263
18
# ORCA AIMD Position Step 325, t=325.00 fs, E_Pot=-685.23573887 Hartree, Unit is Angstrom
 C      1.0402337262      3.2586651945      1.1788001461
 C     -0.1263579884      3.4417616265      0.8723393492
 C     -1.4704798193      3.3153170831      0.6585473076
 C     -2.5597509465      2.6991973831      0.5707289993
 C     -3.3210280047      1.6123635010      0.3279545599
 C     -3.6626668862      0.4459324214      0.0426432251
 C     -3.6629981393     -0.8309263869     -0.4283103244
 C     -3.2009818109     -1.8898405166     -0.7817948197
 C     -2.2398240044     -2.7742311888     -1.0258670492
 C     -1.1277215743     -3.2679390293     -1.2179040375
 C      0.2389399007     -3.4430798498     -1.2226167988
 C      1.4205090013     -3.2524401032     -1.0902969358
 C      2.5825031299     -2.5729321089     -0.8153489528
 C      3.3189963274     -1.6640983271     -0.3979328734
 C      3.6798916862     -0.5198600125      0.2149237725
 C      3.6197309039      0.6495499056      0.5888793589
 C      3.0825108851      1.7953876593      1.1545222974
 C      2.2720569326      2.6957549446      1.3088789011
18
# ORCA AIMD Position Step 326, t=326.00 fs, E_Pot=-685.23574494 Hartree, Unit is Angstrom
 C      1.0396424312      3.2497149586      1.1827627303
 C     -0.1287928005      3.4402673969      0.8764999678
 C     -1.4646255072      3.3167715480      0.6563034558
 C     -2.5565904879      2.6998621247      0.5733797309
 C     -3.3306898539      1.6095740446      0.3295522889
 C     -3.6616169823      0.4429979589      0.0438857624
 C     -3.6615873955     -0.8230377113     -0.4279661926
 C     -3.2053772593     -1.8842263260     -0.7872747983
 C     -2.2435927929     -2.7737792963     -1.0305235115
 C     -1.1317283560     -3.2671925052     -1.2212472818
 C      0.2324229394     -3.4362409560     -1.2252930499
 C      1.4187606841     -3.2516482949     -1.0898567550
 C      2.5890129788     -2.5731816773     -0.8187838197
 C      3.3220270544     -1.6565103797     -0.4012168997
 C      3.6876693858     -0.5226997278      0.2163027061
 C      3.6234724005      0.6528215914      0.5946564217
 C      3.0813928138      1.7847101741      1.1580744018
 C      2.2741432767      2.6890643949      1.3078420770
18
# ORCA AIMD Position Step 327, t=327.00 fs, E_Pot=-685.23629525 Hartree, Unit is Angstrom
 C      1.0390022350      3.2408173721      1.1865772814
 C     -0.1312900775      3.4389437293      0.8810277648
 C     -1.4606021142      3.3167228812      0.6541291219
 C     -2.5512092380      2.7012992193      0.5759764610
 C     -3.3407262011      1.6052737690      0.3307489750
 C     -3.6602969234      0.4420028470      0.0453053520
 C     -3.6603359215     -0.8143393871     -0.4271420471
 C     -3.2098925921     -1.8786845846     -0.7926923087
 C     -2.2458459621     -2.7743405818     -1.0357674777
 C     -1.1358623868     -3.2662025004     -1.2243249424
 C      0.2243951065     -3.4294347786     -1.2280143767
 C      1.4184784089     -3.2501001618     -1.0893214083
 C      2.5959001021     -2.5724078901     -0.8215625077
 C      3.3236889324     -1.6508698210     -0.4051805523
 C      3.6954957822     -0.5238770676      0.2177659665
 C      3.6270131343      0.6554533945      0.6010393435
 C      3.0805519898      1.7736293330      1.1608992801
 C      2.2758778310      2.6820623808      1.3065713975
18
# ORCA AIMD Position Step 328, t=328.00 fs, E_Pot=-685.23675911 Hartree, Unit is Angstrom
 C      1.0381961825      3.2320040684      1.1901908084
 C     -0.1334348364      3.4377659983      0.8859774245
 C     -1.4585297572      3.3151800344      0.6520401044
 C     -2.5440179542      2.7031028115      0.5784066457
 C     -3.3506946758      1.6002170174      0.3317268186
 C     -3.6588341657      0.4429281604      0.0469242811
 C     -3.6591728902     -0.8053829149     -0.4260278140
 C     -3.2144222793     -1.8732118676     -0.7980210104
 C     -2.2469576307     -2.7756559451     -1.0415195855
 C     -1.1400640346     -3.2650108947     -1.2271661764
 C      0.2155798505     -3.4226229538     -1.2307081153
 C      1.4192636239     -3.2477902736     -1.0887385242
 C      2.6029484639     -2.5706992330     -0.8237233464
 C      3.3240166615     -1.6472027923     -0.4098119281
 C      3.7033423321     -0.5230831332      0.2194221544
 C      3.6304879387      0.6568575792      0.6077782382
 C      3.0798803877      1.7624499499      1.1631190956
 C      2.2771751240      2.6747785225      1.3050917990
18
# ORCA AIMD Position Step 329, t=329.00 fs, E_Pot=-685.23650335 Hartree, Unit is Angstrom
 C      1.0370978504      3.2233120748      1.1935548749
 C     -0.1348821312      3.4367059058      0.8913880370
 C     -1.4582605953      3.3122781170      0.6500765434
 C     -2.5356373648      2.7047612508      0.5805448001
 C     -3.3601208132      1.5953076471      0.3327076797
 C     -3.6573909589      0.4455758501      0.0487211659
 C     -3.6580071641     -0.7967624761     -0.4248329269
 C     -3.2188602146     -1.8677685619     -0.8032200969
 C     -2.2474259590     -2.7774005849     -1.0476777995
 C     -1.1442193136     -3.2636976998     -1.2298159722
 C      0.2068915675     -3.4157519011     -1.2332857325
 C      1.4205343554     -3.2447583619     -1.0881809546
 C      2.6098579994     -2.5682707814     -0.8253659123
 C      3.3232066975     -1.6452656328     -0.4149682550
 C      3.7111545443     -0.5202914521      0.2212668672
 C      3.6340360372      0.6565859432      0.6146588952
 C      3.0792194082      1.7515414530      1.1648792909
 C      2.2780101077      2.6671937447      1.3034236660
18
# ORCA AIMD Position Step 330, t=330.00 fs, E_Pot=-685.23529538 Hartree, Unit is Angstrom
 C      1.0356064595      3.2147726470      1.1966358680
 C     -0.1354109245      3.4357331343      0.8972743575
 C     -1.4593856915      3.3082662142      0.6483008914
 C     -2.5268340899      2.7057143217      0.5822687464
 C     -3.3685532622      1.5914969954      0.3339289233
 C     -3.6561473080      0.4495913460      0.0506326033
 C     -3.6567482691     -0.7890225729     -0.4237549940
 C     -3.2231020678     -1.8623060211     -0.8082486017
 C     -2.2478044885     -2.7792262609     -1.0541355924
 C     -1.1481840430     -3.2623636853     -1.2323291478
 C      0.1992756118     -3.4087645788     -1.2356587564
 C      1.4216561758     -3.2410667436     -1.0877309480
 C      2.6162737933     -2.5654348468     -0.8266398131
 C      3.3215871192     -1.6445921884     -0.4204003782
 C      3.7188630975     -0.5157580560      0.2231812866
 C      3.6377867381      0.6543789723      0.6215321772
 C      3.0783893912      1.7412854421      1.1663329632
 C      2.2784004614      2.6592537223      1.3015847131
18
# ORCA AIMD Position Step 331, t=331.00 fs, E_Pot=-685.23349025 Hartree, Unit is Angstrom
 C      1.0336749500      3.2064029044      1.1994213845
 C     -0.1349548427      3.4348198291      0.9036225821
 C     -1.4612851061      3.3034771289      0.6467949907
 C     -2.5184439414      2.7054056305      0.5834703474
 C     -3.3756056942      1.5896747425      0.3356164503
 C     -3.6552804802      0.4545240624      0.0525645423
 C     -3.6553255030     -0.7825795366     -0.4229510889
 C     -3.2270448612     -1.8567976783     -0.8130805354
 C     -2.2486243163     -2.7808056999     -1.0607972480
 C     -1.1518141979     -3.2611085776     -1.2347620960
 C      0.1935621035     -3.4016115676     -1.2377518825
 C      1.4220640455     -3.2367769636     -1.0874655484
 C      2.6218194717     -2.5625580572     -0.8277208192
 C      3.3195665283     -1.6445801831     -0.4257991764
 C      3.7263981684     -0.5099864427      0.2249475816
 C      3.6418446735      0.6502013527      0.6283370902
 C      3.0772283522      1.7320148370      1.1676210692
 C      2.2783785098      2.6508956261      1.2995916677
18
# ORCA AIMD Position Step 332, t=332.00 fs, E_Pot=-685.23191667 Hartree, Unit is Angstrom
 C      1.0313563120      3.1981983536      1.2019256706
 C     -0.1336155399      3.4339439015      0.9103871426
 C     -1.4632276807      3.2982834420      0.6456513656
 C     -2.5112751918      2.7033389286      0.5840644738
 C     -3.3809870922      1.5905645360      0.3379564518
 C     -3.6549445502      0.4599002862      0.0544083069
 C     -3.6537031681     -0.7776610651     -0.4225147234
 C     -3.2305810865     -1.8512715468     -0.8177145912
 C     -2.2503340122     -2.7818612191     -1.0675881454
 C     -1.1549683221     -3.2600160678     -1.2371647828
 C      0.1903464557     -3.3942568269     -1.2395117238
 C      1.4213486100     -3.2319329742     -1.0874428184
 C      2.6261290174     -2.5600173538     -0.8287931461
 C      3.3175776530     -1.6445857753     -0.4308362575
 C      3.7337005919     -0.5036746464      0.2262669591
 C      3.6462671150      0.6442688543      0.6351237126
 C      3.0756395046      1.7239497344      1.1688428201
 C      2.2779449821      2.6420811491      1.2974657413
18
# ORCA AIMD Position Step 333, t=333.00 fs, E_Pot=-685.23148048 Hartree, Unit is Angstrom
 C      1.0287985366      3.1901388468      1.2041847621
 C     -0.1316361960      3.4330934903      0.9174908738
 C     -1.4645044746      3.2930349656      0.6449642638
 C     -2.5059958282      2.6991470748      0.5839970163
 C     -3.3845291681      1.5945978524      0.3410610281
 C     -3.6552437662      0.4653455121      0.0560708621
 C     -3.6518885866     -0.7742964557     -0.4224684946
 C     -3.2335961869     -1.8458274401     -0.8221771062
 C     -2.2532288624     -2.7821983797     -1.0744590250
 C     -1.1575515242     -3.2591293118     -1.2395709515
 C      0.1899233905     -3.3866911327     -1.2409106739
 C      1.4193160548     -3.2265538055     -1.0876960383
 C      2.6288953454     -2.5581292167     -0.8300119633
 C      3.3160061148     -1.6440381929     -0.4352192036
 C      3.7407263725     -0.4976480815      0.2267913228
 C      3.6510581565      0.6370278322      0.6420406940
 C      3.0736161697      1.7171715678      1.1700508976
 C      2.2770516621      2.6328300133      1.2952349306
18
# ORCA AIMD Position Step 334, t=334.00 fs, E_Pot=-685.23263321 Hartree, Unit is Angstrom
 C      1.0262443368      3.1821985406      1.2062519154
 C     -0.1293673249      3.4322694116      0.9248228250
 C     -1.4645791416      3.2879955259      0.6448164428
 C     -2.5030074302      2.6926767756      0.5832545629
 C     -3.3862079285      1.6018150380      0.3449383432
 C     -3.6562145892      0.4706644900      0.0574975599
 C     -3.6499355515     -0.7723220830     -0.4227638555
 C     -3.2359685231     -1.8406435879     -0.8265171051
 C     -2.2574073042     -2.7817237026     -1.0813801711
 C     -1.1595269428     -3.2584389723     -1.2419904842
 C      0.1922378491     -3.3789436656     -1.2419491461
 C      1.4160237698     -3.2206352878     -1.0882275873
 C      2.6299190794     -2.5570882523     -0.8314744464
 C      3.3151276188     -1.6425379858     -0.4387314103
 C      3.7474420877     -0.4927730677      0.2261625304
 C      3.6561631819      0.6291052562      0.6493037125
 C      3.0712602409      1.7116150547      1.1712459768
 C      2.2755855815      2.6232467230      1.2929395298
18
# ORCA AIMD Position Step 335, t=335.00 fs, E_Pot=-685.23502274 Hartree, Unit is Angstrom
 C      1.0239960492      3.1743570098      1.2081885320
 C     -0.1272125129      3.4314822437      0.9322467864
 C     -1.4632140517      3.2832856780      0.6452643247
 C     -2.5023289831      2.6840681892      0.5818779436
 C     -3.3861660901      1.6118125365      0.3494767114
 C     -3.6578169810      0.4758765678      0.0586843609
 C     -3.6479384086     -0.7714079513     -0.4232894080
 C     -3.2375819379     -1.8359568361     -0.8307982786
 C     -2.2627491993     -2.7804550651     -1.0883382383
 C     -1.1609288781     -3.2578774903     -1.2444076742
 C      0.1968606136     -3.3710895305     -1.2426591264
 C      1.4117948266     -3.2141551022     -1.0890055726
 C      2.6291587227     -2.5569097493     -0.8331940579
 C      3.3150560113     -1.6399354309     -0.4412707822
 C      3.7538223178     -0.4898282173      0.2240699990
 C      3.6614811499      0.6211962658      0.6571424528
 C      3.0687747788      1.7070811800      1.1723869066
 C      2.2733800285      2.6135241786      1.2906321676
18
# ORCA AIMD Position Step 336, t=336.00 fs, E_Pot=-685.23762347 Hartree, Unit is Angstrom
 C      1.0223527376      3.1666021314      1.2100546125
 C     -0.1255584599      3.4307443665      0.9396262487
 C     -1.4605188215      3.2788562720      0.6463287788
 C     -2.5035513163      2.6737785381      0.5799665466
 C     -3.3847180411      1.6237877762      0.3544585819
 C     -3.6599451487      0.4811849783      0.0596741354
 C     -3.6460146413     -0.7711069831     -0.4238904371
 C     -3.2383473103     -1.8320141127     -0.8350897045
 C     -2.2689362616     -2.7785154552     -1.0953394715
 C     -1.1618609469     -3.2573250518     -1.2467883585
 C      0.2030173248     -3.3632397964     -1.2431052185
 C      1.4071925777     -3.2070733426     -1.0899660894
 C      2.6267553496     -2.5574084441     -0.8350958959
 C      3.3157203277     -1.6363594165     -0.4428708964
 C      3.7598527067     -0.4893438574      0.2203183671
 C      3.6668955873      0.6138937124      0.6657390902
 C      3.0664301922      1.7032729618      1.1734091395
 C      2.2702442467      2.6039086251      1.2883719173
18
# ORCA AIMD Position Step 337, t=337.00 fs, E_Pot=-685.23931355 Hartree, Unit is Angstrom
 C      1.0215364368      3.1589347896      1.2118976874
 C     -0.1247068652      3.4300585455      0.9468509809
 C     -1.4568877635      3.2745140218      0.6479964801
 C     -2.5059035249      2.6625282245      0.5776699187
 C     -3.3823247028      1.6366769535      0.3596005513
 C     -3.6624554762      0.4868850303      0.0605345033
 C     -3.6442796256     -0.7709270461     -0.4243963572
 C     -3.2382242934     -1.8290104557     -0.8394520711
 C     -2.2755142104     -2.7761066821     -1.1024111527
 C     -1.1624744279     -3.2566279065     -1.2490911499
 C      0.2096875856     -3.3555240920     -1.2433794320
 C      1.4029428488     -3.1993342967     -1.0910227391
 C      2.6230098873     -2.5582311038     -0.8370340574
 C      3.3168881162     -1.6321803552     -0.4436921718
 C      3.7655321539     -0.4914726682      0.2148817884
 C      3.6723094966      0.6075265923      0.6751717586
 C      3.0645111631      1.6998542420      1.1742465533
 C      2.2660072889      2.5946420715      1.2862152809
18
# ORCA AIMD Position Step 338, t=338.00 fs, E_Pot=-685.23953102 Hartree, Unit is Angstrom
 C      1.0216321791      3.1513796391      1.2137430176
 C     -0.1248274254      3.4294083840      0.9538520805
 C     -1.4528622026      3.2699902330      0.6502324728
 C     -2.5084030297      2.6511941609      0.5751704845
 C     -3.3795438772      1.6493260047      0.3645989634
 C     -3.6652012698      0.4932497948      0.0613282510
 C     -3.6428226102     -0.7704099998     -0.4246504344
 C     -3.2372357729     -1.8270337928     -0.8439185984
 C     -2.2819725921     -2.7734728059     -1.1095962914
 C     -1.1629330505     -3.2556232092     -1.2512775985
 C      0.2157618129     -3.3480720460     -1.2435872131
 C      1.3998076340     -3.1908780969     -1.0920826784
 C      2.6183252983     -2.5589300686     -0.8388269568
 C      3.3182254787     -1.6279232422     -0.4439817942
 C      3.7708700596     -0.4959490956      0.2079238707
 C      3.6776659053      0.6020806121      0.6853811896
 C      3.0632631343      1.6965176817      1.1748471501
 C      2.2605666514      2.5859043700      1.2842093108
18
# ORCA AIMD Position Step 339, t=339.00 fs, E_Pot=-685.23855940 Hartree, Unit is Angstrom
 C      1.0225578150      3.1439944386      1.2155895268
 C     -0.1259380824      3.4287549336      0.9606049747
 C     -1.4489854474      3.2650169519      0.6529930582
 C     -2.5100308800      2.6406879208      0.5726605246
 C     -3.3769690432      1.6606459016      0.3691720588
 C     -3.6680593050      0.5004388298      0.0620889351
 C     -3.6416872110     -0.7692001538     -0.4245355435
 C     -3.2354738380     -1.8260269712     -0.8484771060
 C     -2.2878198879     -2.7708617055     -1.1169438812
 C     -1.1633815424     -3.2541640228     -1.2533196370
 C      0.2202326888     -3.3409945501     -1.2438289808
 C      1.3984260785     -3.1816618661     -1.0930671706
 C      2.6131408059     -2.5590475096     -0.8402897855
 C      3.3193696280     -1.6241634475     -0.4440258101
 C      3.7758841473     -0.5021576741      0.1997756058
 C      3.6829521192      0.5972286964      0.6961734997
 C      3.0628466050      1.6930421712      1.1751831961
 C      2.2539300896      2.5777683682      1.2823861976
18
# ORCA AIMD Position Step 340, t=340.00 fs, E_Pot=-685.23730608 Hartree, Unit is Angstrom
 C      1.0240615342      3.1368772059      1.2174096178
 C     -0.1279225678      3.4280364612      0.9671219020
 C     -1.4456786122      3.2593911091      0.6562408223
 C     -2.5098996278      2.6318248528      0.5703170377
 C     -3.3751541568      1.6697492430      0.3730939542
 C     -3.6709487843      0.5084413137      0.0628055687
 C     -3.6408633302     -0.7670835806     -0.4239911262
 C     -3.2330939762     -1.8257797317     -0.8530624345
 C     -2.2926435605     -2.7684939772     -1.1244980871
 C     -1.1639147609     -3.2521366133     -1.2552029424
 C      0.2223767422     -3.3343647920     -1.2441776313
 C      1.3991515073     -3.1716867861     -1.0939331029
 C      2.6078705546     -2.5581877382     -0.8412693505
 C      3.3199983067     -1.6214266288     -0.4440958797
 C      3.7805996237     -0.5092720266      0.1908792517
 C      3.6881842567      0.5924466708      0.7072596517
 C      3.0633188097      1.6893168744      1.1752493278
 C      2.2462457414      2.5701772416      1.2807635632
18
# ORCA AIMD Position Step 341, t=341.00 fs, E_Pot=-685.23665711 Hartree, Unit is Angstrom
 C      1.0257538182      3.1301641083      1.2191554201
 C     -0.1305605267      3.4271749800      0.9734388732
 C     -1.4431706013      3.2530156421      0.6599509825
 C     -2.5074006785      2.6252019348      0.5682775658
 C     -3.3745259793      1.6760650661      0.3762215503
 C     -3.6738380651      0.5170611632      0.0634188855
 C     -3.6402885672     -0.7640072551     -0.4230202233
 C     -3.2302981134     -1.8259496343     -0.8575569788
 C     -2.2961534994     -2.7665351283     -1.1322874160
 C     -1.1645645228     -3.2494727807     -1.2569279528
 C      0.2218884117     -3.3282054389     -1.2446634700
 C      1.4019341643     -3.1610226930     -1.0946887557
 C      2.6028636758     -2.5560664433     -0.8416617934
 C      3.3198843689     -1.6201090620     -0.4444088752
 C      3.7850462271     -0.5164206822      0.1817146700
 C      3.6933876212      0.5871581370      0.7183104205
 C      3.0646311336      1.6853415558      1.1750591742
 C      2.2378049761      2.5629492595      1.2793444262
18
# ORCA AIMD Position Step 342, t=342.00 fs, E_Pot=-685.23686926 Hartree, Unit is Angstrom
 C      1.0271502745      3.1240234988      1.2207670789
 C     -0.1335639598      3.4260903455      0.9796017265
 C     -1.4414709082      3.2459215684      0.6641154817
 C     -2.5023085368      2.6211083007      0.5666214673
 C     -3.3753114773      1.6794070424      0.3785076859
 C     -3.6767441737      0.5259245911      0.0638229892
 C     -3.6398594176     -0.7600663621     -0.4216841182
 C     -3.2273196487     -1.8260957211     -0.8617991726
 C     -2.2981985197     -2.7650870964     -1.1403181877
 C     -1.1652956571     -3.2461562566     -1.2585089868
 C      0.2189241684     -3.3224863104     -1.2452670593
 C      1.4062836701     -3.1498285367     -1.0953997443
 C      2.5983874440     -2.5525346518     -0.8414242529
 C      3.3189326489     -1.6204202884     -0.4450953494
 C      3.7892513153     -0.5228204900      0.1727386609
 C      3.6985759363      0.5808533241      0.7290029005
 C      3.0666470131      1.6812057648      1.1746368491
 C      2.2290315115      2.5558009677      1.2781207026
18
# ORCA AIMD Position Step 343, t=343.00 fs, E_Pot=-685.23757678 Hartree, Unit is Angstrom
 C      1.0277467492      3.1186369590      1.2221830365
 C     -0.1366168254      3.4247047428      0.9856538235
 C     -1.4403680150      3.2382745819      0.6687449285
 C     -2.4948514140      2.6194650552      0.5653529057
 C     -3.3774811764      1.6800148512      0.3800110278
 C     -3.6797291701      0.5345170560      0.0638763043
 C     -3.6394436438     -0.7554881757     -0.4200961449
 C     -3.2243901826     -1.8257429019     -0.8656029305
 C     -2.2987901029     -2.7641670058     -1.1485680278
 C     -1.1660156295     -3.2422242750     -1.2599719114
 C      0.2140550862     -3.3171324045     -1.2459303260
 C      1.4113383321     -3.1383418721     -1.0961772730
 C      2.5945967332     -2.5475934419     -0.8405773372
 C      3.3172088714     -1.6223564653     -0.4461801951
 C      3.7932385779     -0.5278696732      0.1643206299
 C      3.7037440703      0.5731717879      0.7390640240
 C      3.0691728548      1.6770538175      1.1740144053
 C      2.2204231331      2.5483972548      1.2770801705
18
# ORCA AIMD Position Step 344, t=344.00 fs, E_Pot=-685.23801961 Hartree, Unit is Angstrom
 C      1.0270970750      3.1141651312      1.2233544851
 C     -0.1394151133      3.4229698184      0.9916343369
 C     -1.4394631055      3.2303587056      0.6738622819
 C     -2.4856758467      2.6198502752      0.5644115943
 C     -3.3807720899      1.6784974004      0.3808744846
 C     -3.6828893975      0.5422442238      0.0634220465
 C     -3.6389056104     -0.7505827052     -0.4184016708
 C     -3.2217092352     -1.8244411592     -0.8687883832
 C     -2.2980859238     -2.7637137669     -1.1569905085
 C     -1.1665981977     -3.2377568743     -1.2613527501
 C      0.2081230165     -3.3120349228     -1.2465698667
 C      1.4160319942     -3.1268546245     -1.0971597428
 C      2.5915359031     -2.5413991314     -0.8392095178
 C      3.3149349420     -1.6256755304     -0.4475780676
 C      3.7970125327     -0.5312076101      0.1567284770
 C      3.7088581446      0.5639373264      0.7482889380
 C      3.0719869053      1.6730422830      1.1732206913
 C      2.2125050516      2.5403858580      1.2762056772
18
# ORCA AIMD Position Step 345, t=345.00 fs, E_Pot=-685.23778872 Hartree, Unit is Angstrom
 C      1.0248993278      3.1107174185      1.2242556926
 C     -0.1417064349      3.4208681299      0.9975752820
 C     -1.4382220252      3.2225446100      0.6795037526
 C     -2.4757415481      2.6215902720      0.5636866834
 C     -3.3847586149      1.6757036006      0.3812971115
 C     -3.6863423670      0.5485127673      0.0623088429
 C     -3.6381220796     -0.7456990351     -0.4167634698
 C     -3.2194167384     -1.8218305120     -0.8712091931
 C     -2.2963664510     -2.7635889022     -1.1655197620
 C     -1.1669087893     -3.2328592879     -1.2626939160
 C      0.2020677259     -3.3070736353     -1.2471001869
 C      1.4192857975     -3.1156631141     -1.0984862781
 C      2.5891188397     -2.5342469170     -0.8374663461
 C      3.3124756962     -1.6299376003     -0.4491124307
 C      3.8005642422     -0.5327200649      0.1501034468
 C      3.7138632225      0.5531607224      0.7565644622
 C      3.0748796034      1.6692992771      1.1722844504
 C      2.2057383271      2.5314569949      1.2754768076
18
# ORCA AIMD Position Step 346, t=346.00 fs, E_Pot=-685.23707138 Hartree, Unit is Angstrom
 C      1.0210746771      3.1083198025      1.2248946724
 C     -0.1433235266      3.4184199874      1.0035000252
 C     -1.4360677038      3.2152369049      0.6857080566
 C     -2.4661537894      2.6238999824      0.5630387065
 C     -3.3889553543      1.6725406891      0.3814937818
 C     -3.6902052891      0.5528207117      0.0604135439
 C     -3.6370005418     -0.7411683992     -0.4153341197
 C     -3.2175750886     -1.8176888861     -0.8727725910
 C     -2.2939966876     -2.7635916831     -1.1740788595
 C     -1.1668235589     -3.2276481333     -1.2640412937
 C      0.1967703580     -3.3021372526     -1.2474485215
 C      1.4201808235     -3.1050254514     -1.1002740607
 C      2.5871319674     -2.5265415884     -0.8355426447
 C      3.3102930188     -1.6345562406     -0.4505393017
 C      3.8038803473     -0.5325272664      0.1444671662
 C      3.7186902287      0.5410307932      0.7638753576
 C      3.0776871895      1.6658912144      1.1712232699
 C      2.2004394930      2.5213945383      1.2748706203
18
# ORCA AIMD Position Step 347, t=347.00 fs, E_Pot=-685.23659096 Hartree, Unit is Angstrom
 C      1.0158223943      3.1069036089      1.2253165935
 C     -0.1442095808      3.4156852578      1.0094144634
 C     -1.4325108938      3.2088030478      0.6925139238
 C     -2.4579632051      2.6260332618      0.5623272654
 C     -3.3929163266      1.6697889566      0.3816418561
 C     -3.6945672412      0.5548517115      0.0576691424
 C     -3.6354920846     -0.7372579396     -0.4142390956
 C     -3.2161596850     -1.8119626341     -0.8734538508
 C     -2.2913833037     -2.7634812022     -1.1825825329
 C     -1.1662467545     -3.2222382695     -1.2654407453
 C      0.1929286020     -3.2971413256     -1.2475660097
 C      1.4180899287     -3.0951251773     -1.1026005568
 C      2.5852513716     -2.5187535884     -0.8336589999
 C      3.3088920980     -1.6388952666     -0.4515923003
 C      3.8069465049     -0.5309420556      0.1397286268
 C      3.7232564456      0.5279089097      0.7703060739
 C      3.0803224489      1.6627931594      1.1700469360
 C      2.1967250020      2.5101194664      1.2743669303
18
# ORCA AIMD Position Step 348, t=348.00 fs, E_Pot=-685.23686546 Hartree, Unit is Angstrom
 C      1.0096446199      3.1062866013      1.2256035048
 C     -0.1444357831      3.4127718127      1.0153089879
 C     -1.4272990420      3.2034989524      0.6999348720
 C     -2.4519741712      2.6274038787      0.5614392022
 C     -3.3963095392      1.6679681068      0.3818422004
 C     -3.6994612259      0.5545479339      0.0540863114
 C     -3.6336038853     -0.7341306273     -0.4135563518
 C     -3.2150580305     -1.8047862511     -0.8733122559
 C     -2.2889318647     -2.7629994624     -1.1909354564
 C     -1.1651022138     -3.2167326473     -1.2669281830
 C      0.1909531895     -3.2920408423     -1.2474402521
 C      1.4127628900     -3.0860511310     -1.1054833940
 C      2.5830782205     -2.5113755247     -0.8320448430
 C      3.3087464191     -1.6423460980     -0.4520202611
 C      3.8097667081     -0.5284345673      0.1357078119
 C      3.7274640710      0.5143210571      0.7760364554
 C      3.0827968584      1.6598776330      1.1687450915
 C      2.1944851250      2.4977169160      1.2739523737
18
# ORCA AIMD Position Step 349, t=349.00 fs, E_Pot=-685.23776378 Hartree, Unit is Angstrom
 C      1.0033034971      3.1061916112      1.2258671620
 C     -0.1441833004      3.4098266607      1.0211564277
 C     -1.4205522179      3.1993934637      0.7079185085
 C     -2.4485821854      2.6277038949      0.5603189436
 C     -3.3989556132      1.6672457115      0.3821085989
 C     -3.7048468104      0.5521606059      0.0497723550
 C     -3.6314048752     -0.7318241482     -0.4133082814
 C     -3.2140820256     -1.7964861103     -0.8724829677
 C     -2.2869901005     -2.7619035480     -1.1990388854
 C     -1.1633680902     -3.2112098828     -1.2685305781
 C      0.1909058779     -3.2868456625     -1.2470996032
 C      1.4043777489     -3.0777917942     -1.1088743722
 C      2.5802315634     -2.5048232708     -0.8308970724
 C      3.3102058292     -1.6444542774     -0.4516435914
 C      3.8123623060     -0.5255719375      0.1321588041
 C      3.7312108611      0.5009200974      0.7813294995
 C      3.0852117529      1.6569266928      1.1672940607
 C      2.1934090826      2.4844289369      1.2736197577
18
# ORCA AIMD Position Step 350, t=350.00 fs, E_Pot=-685.23850316 Hartree, Unit is Angstrom
 C      0.9977234422      3.1062822279      1.2262363677
 C     -0.1436958288      3.4070225025      1.0269219308
 C     -1.4128080414      3.1963461150      0.7163439050
 C     -2.4477224656      2.6269230342      0.5589828704
 C     -3.4008322237      1.6674456014      0.3823617697
 C     -3.7106132328      0.5482267770      0.0449221002
 C     -3.6290216161     -0.7302427353     -0.4134563396
 C     -3.2129833280     -1.7875557263     -0.8711714013
 C     -2.2858002753     -2.7599895698     -1.2067976923
 C     -1.1610863998     -3.2057148931     -1.2702667104
 C      0.1924525784     -3.2816260692     -1.2466132816
 C      1.3935505685     -3.0702338011     -1.1126628498
 C      2.5764357961     -2.4993470016     -0.8303382900
 C      3.3134165821     -1.6450231231     -0.4504047195
 C      3.8147751160     -0.5229408932      0.1288082892
 C      3.7343984887      0.4884203181      0.7864967795
 C      3.0877471521      1.6536511892      1.1656663866
 C      2.1930390455      2.4706213687      1.2733683875
18
# ORCA AIMD Position Step 351, t=351.00 fs, E_Pot=-685.23818984 Hartree, Unit is Angstrom
 C      0.9938399358      3.1062129114      1.2268379986
 C     -0.1432026007      3.4045341740      1.0325813221
 C     -1.4049432675      3.1940441017      0.7250328728
 C     -2.4489354884      2.6252947043      0.5575133281
 C     -3.4020449640      1.6681349106      0.3824532703
 C     -3.7166037102      0.5434797875      0.0397904862
 C     -3.6266278654     -0.7291751597     -0.4139102680
 C     -3.2114766768     -1.7786033535     -0.8696386826
 C     -2.2854714453     -2.7571169332     -1.2141309612
 C     -1.1583744394     -3.2002498329     -1.2721439121
 C      0.1948755183     -3.2765099700     -1.2460879560
 C      1.3812867355     -3.0631665524     -1.1166873754
 C      2.5715942664     -2.4949623978     -0.8303886387
 C      3.3182692270     -1.6441723209     -0.4483921182
 C      3.8170713147     -0.5210511933      0.1254076335
 C      3.7369499707      0.4774841917      0.7918449765
 C      3.0906218664      1.6497398314      1.1638369688
 C      2.1928576075      2.4567144322      1.2732039402
18
# ORCA AIMD Position Step 352, t=352.00 fs, E_Pot=-685.23657373 Hartree, Unit is Angstrom
 C      0.9924347513      3.1056797964      1.2277744458
 C     -0.1428352326      3.4025079864      1.0381379739
 C     -1.3979955147      3.1920856191      0.7337801665
 C     -2.4515313791      2.6231938885      0.5560381641
 C     -3.4027771559      1.6687562472      0.3822023964
 C     -3.7226492916      0.5387176918      0.0346474990
 C     -3.6244229294     -0.7283337853     -0.4145427613
 C     -3.2092731370     -1.7702731035     -0.8681703588
 C     -2.2859688400     -2.7532164190     -1.2209817489
 C     -1.1554313399     -3.1947714231     -1.2741623640
 C      0.1971622500     -3.2716696529     -1.2456580520
 C      1.3688616389     -3.0563104428     -1.1207576831
 C      2.5658101731     -2.4914538444     -0.8309640247
 C      3.3244102015     -1.6423170792     -0.4458319939
 C      3.8193376582     -0.5202371245      0.1217928723
 C      3.7388281718      0.4686051177      0.7976133646
 C      3.0940369994      1.6449226113      1.1617922013
 C      2.1923860126      2.4430985645      1.2731341485
18
# ORCA AIMD Position Step 353, t=353.00 fs, E_Pot=-685.23441089 Hartree, Unit is Angstrom
 C      0.9940027112      3.1044670092      1.2291069928
 C     -0.1425671148      3.4010319204      1.0436277441
 C     -1.3929529630      3.1900732999      0.7423917147
 C     -2.4547840480      2.6210188345      0.5546984595
 C     -3.4032322492      1.6687648575      0.3814338353
 C     -3.7286004119      0.5346742747      0.0297397959
 C     -3.6226025742     -0.7274148025     -0.4152209940
 C     -3.2061178277     -1.7631561622     -0.8670354456
 C     -2.2871340944     -2.7482874118     -1.2273186957
 C     -1.1525311533     -3.1891994806     -1.2763197372
 C      0.1981780019     -3.2673001856     -1.2454670304
 C      1.3576342538     -3.0493554730     -1.1246824896
 C      2.5593526810     -2.4884354390     -0.8319039607
 C      3.3313167830     -1.6400823452     -0.4430457235
 C      3.8216757832     -0.5205929512      0.1179272562
 C      3.7400403513      0.4620229691      0.8039191551
 C      3.0981143999      1.6390300816      1.1595424032
 C      2.1912732596      2.4300635217      1.2731657268
18
# ORCA AIMD Position Step 354, t=354.00 fs, E_Pot=-685.23301501 Hartree, Unit is Angstrom
 C      0.9986772622      3.1024671092      1.2308455981
 C     -0.1422050645      3.4001167756      1.0491145333
 C     -1.3905781644      3.1876903000      0.7507178450
 C     -2.4580895005      2.6190975364      0.5536213300
 C     -3.4035833976      1.6677386829      0.3800090739
 C     -3.7343446913      0.5319240535      0.0252599223
 C     -3.6213297949     -0.7261714616     -0.4158369594
 C     -3.2018274074     -1.7577020758     -0.8664482969
 C     -2.2887246059     -2.7423882517     -1.2331321329
 C     -1.1500056654     -3.1834341198     -1.2786134243
 C      0.1969090116     -3.2635835271     -1.2456435251
 C      1.3488094852     -3.0420205130     -1.1282985813
 C      2.5525894530     -2.4854492197     -0.8330138396
 C      3.3383961221     -1.6381716493     -0.4403897364
 C      3.8241893554     -0.5219631144      0.1139237401
 C      3.7406453092      0.4576887675      0.8107279058
 C      3.1028503439      1.6320437908      1.1571237928
 C      2.1893559780      2.4177579637      1.2732969886
18
# ORCA AIMD Position Step 355, t=355.00 fs, E_Pot=-685.23336299 Hartree, Unit is Angstrom
 C      1.0062200934      3.0996893261      1.2329485770
 C     -0.1414379748      3.3996922349      1.0546683667
 C     -1.3912838195      3.1847492756      0.7586689175
 C     -2.4610615942      2.6176284952      0.5529002834
 C     -3.4039346744      1.6654536457      0.3778479477
 C     -3.7398113571      0.5308249179      0.0213340307
 C     -3.6207092026     -0.7244815334     -0.4163374017
 C     -3.1963299586     -1.7541469144     -0.8665337247
 C     -2.2904613881     -2.7356293544     -1.2384254332
 C     -1.1482178037     -3.1773813568     -1.2810408402
 C      0.1927397071     -3.2606452165     -1.2462747782
 C      1.3431825346     -3.0341207746     -1.1314961376
 C      2.5459189913     -2.4820609386     -0.8341047162
 C      3.3450830001     -1.6372395403     -0.4381958082
 C      3.8269681038     -0.5239960019      0.1100234848
 C      3.7407489227      0.4552921375      0.8178514960
 C      3.1080907156      1.6241203377      1.1546057091
 C      2.1866831019      2.4061891542      1.2735174510
18
# ORCA AIMD Position Step 356, t=356.00 fs, E_Pot=-685.23532410 Hartree, Unit is Angstrom
 C      1.0160592192      3.0962522405      1.2353290967
 C     -0.1399279699      3.3996150113      1.0603393560
 C     -1.3950583967      3.1812183638      0.7662214505
 C     -2.4635717235      2.6166558914      0.5525847461
 C     -3.4043007434      1.6619275327      0.3749442911
 C     -3.7449697438      0.5314809141      0.0180129108
 C     -3.6207673963     -0.7223858668     -0.4167391228
 C     -3.1897007023     -1.7524644566     -0.8673013642
 C     -2.2920732382     -2.7281674299     -1.2432096312
 C     -1.1475223772     -3.1709808919     -1.2835999174
 C      0.1856715862     -3.2585176313     -1.2473862665
 C      1.3409379282     -3.0256281226     -1.1342362081
 C      2.5397123596     -2.4779365342     -0.8350226633
 C      3.3509233612     -1.6377739093     -0.4367180333
 C      3.8300690967     -0.5262443523      0.1065441863
 C      3.7405005409      0.4543251707      0.8249749882
 C      3.1135376312      1.6155859345      1.1520910516
 C      2.1835051406      2.3952524438      1.2738101907
18
# ORCA AIMD Position Step 357, t=357.00 fs, E_Pot=-685.23764693 Hartree, Unit is Angstrom
 C      1.0273836998      3.0923599626      1.2378723606
 C     -0.1374069341      3.3996862506      1.0661446437
 C     -1.4014536245      3.1772193902      0.7734268063
 C     -2.4657451218      2.6160700092      0.5526725049
 C     -3.4046052710      1.6574266641      0.3713705401
 C     -3.7498343168      0.5337270300      0.0152659226
 C     -3.6214484022     -0.7200839665     -0.4171297460
 C     -3.1821678804     -1.7523548088     -0.8686424361
 C     -2.2933431310     -2.7201909938     -1.2475080546
 C     -1.1482095361     -3.1642206458     -1.2862897330
 C      0.1763661820     -3.2571208266     -1.2489383905
 C      1.3415959170     -3.0166809801     -1.1365553857
 C      2.5342592963     -2.4728848017     -0.8356722458
 C      3.3556450342     -1.6400100176     -0.4360876804
 C      3.8335059703     -0.5282856308      0.1038003877
 C      3.7400815829      0.4541650060      0.8317213279
 C      3.1187973402      1.6068907821      1.1497072640
 C      2.1802228962      2.3847625979      1.2741534838
18
# ORCA AIMD Position Step 358, t=358.00 fs, E_Pot=-685.23884359 Hartree, Unit is Angstrom
 C      1.0392802060      3.0882637889      1.2404574791
 C     -0.1337385961      3.3996790935      1.0720714062
 C     -1.4096662861      3.1729961316      0.7804112404
 C     -2.4679103305      2.6156417385      0.5531157101
 C     -3.4047005650      1.6524205341      0.3672636740
 C     -3.7544694910      0.5371545516      0.0129810203
 C     -3.6226290887     -0.7178819334     -0.4176473078
 C     -3.1740848852     -1.7532899041     -0.8703513280
 C     -2.2941394975     -2.7118936823     -1.2513646523
 C     -1.1504488153     -3.1571377128     -1.2891163842
 C      0.1659629067     -3.2562799605     -1.2508441417
 C      1.3441630136     -3.0075407341     -1.1385535248
 C      2.5297268211     -2.4668666698     -0.8360253454
 C      3.3591988108     -1.6438951138     -0.4362933741
 C      3.8372471390     -0.5298243545      0.1020337288
 C      3.7396909954      0.4541637301      0.8377223317
 C      3.1234543137      1.5985274309      1.1475894959
 C      2.1773073364      2.3744878238      1.2745272399
18
# ORCA AIMD Position Step 359, t=359.00 fs, E_Pot=-685.23818331 Hartree, Unit is Angstrom
 C      1.0508632089      3.0842231155      1.2429761755
 C     -0.1289238726      3.3993673894      1.0780879678
 C     -1.4187039282      3.1688572943      0.7873528163
 C     -2.4705002623      2.6150851229      0.5538385219
 C     -3.4044029495      1.6474958595      0.3627977282
 C     -3.7589819914      0.5411906812      0.0109873530
 C     -3.6241494929     -0.7161270747     -0.4184519256
 C     -3.1658868392     -1.7546001880     -0.8721641024
 C     -2.2944246217     -2.7034567344     -1.2548474114
 C     -1.1542540099     -3.1498150101     -1.2920941013
 C      0.1557886408     -3.2557677321     -1.2529981310
 C      1.3474024266     -2.9985228583     -1.1403643217
 C      2.5261432554     -2.4599786606     -0.8361206291
 C      3.3617432816     -1.6491239324     -0.4371938428
 C      3.8412310990     -0.5307385445      0.1013757211
 C      3.7395294913      0.4537247682      0.8426722641
 C      3.1271386718      1.5909569969      1.1458644134
 C      2.1752136020      2.3641956063      1.2749182964
18
# ORCA AIMD Position Step 360, t=360.00 fs, E_Pot=-685.23606541 Hartree, Unit is Angstrom
 C      1.0613781541      3.0804679089      1.2453462644
 C     -0.1230915381      3.3985491741      1.0841501617
 C     -1.4275498620      3.1651178836      0.7944506778
 C     -2.4739364343      2.6141336068      0.5547609284
 C     -3.4035373629      1.6432465308      0.3581519437
 C     -3.7635035820      0.5451887711      0.0090818268
 C     -3.6258502816     -0.7151230559     -0.4196896591
 C     -3.1580351488     -1.7555870842     -0.8738069489
 C     -2.2942481436     -2.6950330610     -1.2580394567
 C     -1.1594615293     -3.1423760149     -1.2952476944
 C      0.1470626652     -3.2553528271     -1.2553010898
 C      1.3500998387     -2.9899361399     -1.1421283913
 C      2.5234101610     -2.4524215047     -0.8360500048
 C      3.3636106821     -1.6552011115     -0.4385521499
 C      3.8453733564     -0.5310818550      0.1018489037
 C      3.7397747697      0.4523766843      0.8463537371
 C      3.1295912648      1.5845254886      1.1446353632
 C      2.1743032341      2.3537055125      1.2753242335
18
# ORCA AIMD Position Step 361, t=361.00 fs, E_Pot=-685.23364317 Hartree, Unit is Angstrom
 C      1.0702504296      3.0771746185      1.2475174305
 C     -0.1164437518      3.3970616445      1.0902105760
 C     -1.4353407585      3.1620326727      0.8018873056
 C     -2.4785026209      2.6126232779      0.5558284756
 C     -3.4019881824      1.6401486353      0.3534745385
 C     -3.7681634811      0.5485527182      0.0070671362
 C     -3.6275979925     -0.7150898642     -0.4214691456
 C     -3.1509844443     -1.7555994897     -0.8750310834
 C     -2.2937229504     -2.6867478428     -1.2610319341
 C     -1.1657347090     -3.1349813733     -1.2986133295
 C      0.1407328030     -3.2548262379     -1.2576711009
 C      1.3512290740     -2.9820421767     -1.1439752482
 C      2.5213264809     -2.4444620995     -0.8359403719
 C      3.3652349689     -1.6615464538     -0.4400893003
 C      3.8495877887     -0.5310347247      0.1033963608
 C      3.7405700510      0.4498027056      0.8486387941
 C      3.1306984270      1.5794213707      1.1439784355
 C      2.1747889326      2.3429332497      1.2757516221
18
# ORCA AIMD Position Step 362, t=362.00 fs, E_Pot=-685.23200602 Hartree, Unit is Angstrom
 C      1.0771433707      3.0744405046      1.2494696597
 C     -0.1092645631      3.3947877727      1.0962188499
 C     -1.4414864960      3.1597456009      0.8097913852
 C     -2.4842252906      2.6105585650      0.5570417696
 C     -3.3997432284      1.6384680542      0.3488517825
 C     -3.7730584397      0.5508265301      0.0047902969
 C     -3.6293099211     -0.7161195378     -0.4238469449
 C     -3.1451325369     -1.7541185090     -0.8756415357
 C     -2.2930186632     -2.6786891652     -1.2639157878
 C     -1.1725753321     -3.1278236048     -1.3022283894
 C      0.1373592236     -3.2540231354     -1.2600589588
 C      1.3500783499     -2.9750231974     -1.1459975159
 C      2.5196207806     -2.4363994885     -0.8359423458
 C      3.3670751865     -1.6675812178     -0.4415208969
 C      3.8538068672     -0.5308775890      0.1058828438
 C      3.7420040659      0.4458850010      0.8495121131
 C      3.1305217718      1.5756391121      1.1439255491
 C      2.1766822086      2.3319315243      1.2762218415
18
# ORCA AIMD Position Step 363, t=363.00 fs, E_Pot=-685.23151804 Hartree, Unit is Angstrom
 C      1.0819538804      3.0722716519      1.2512117007
 C     -0.1018949183      3.3916636767      1.1021156967
 C     -1.4457136516      3.1582685119      0.8182165167
 C     -2.4908403775      2.6081329100      0.5584651488
 C     -3.3969167029      1.6381958287      0.3442958941
 C     -3.7782243218      0.5517793125      0.0021673570
 C     -3.6309710740     -0.7181522803     -0.4268074226
 C     -3.1407855793     -1.7508260331     -0.8755300256
 C     -2.2923458345     -2.6709084711     -1.2667624611
 C     -1.1793612787     -3.1211249608     -1.3061325162
 C      0.1370968140     -3.2528308612     -1.2624423769
 C      1.3463039560     -2.9689727989     -1.1482451719
 C      2.5179867558     -2.4285329590     -0.8362032667
 C      3.3695491889     -1.6728047969     -0.4426068450
 C      3.8579819083     -0.5309530346      0.1091246503
 C      3.7441058011      0.4407191337      0.8490544091
 C      3.1293182675      1.5729577184      1.1444675876
 C      2.1797606525      2.3209329414      1.2767696298
18
# ORCA AIMD Position Step 364, t=364.00 fs, E_Pot=-685.23167639 Hartree, Unit is Angstrom
 C      1.0848188806      3.0705843285      1.2527750834
 C     -0.0947573037      3.3876818915      1.1078306435
 C     -1.4480455223      3.1574901584      0.8271320098
 C     -2.4977984487      2.6057248881      0.5602291975
 C     -3.3937633168      1.6390264846      0.3397386725
 C     -3.7836205491      0.5514191326     -0.0008053285
 C     -3.6326481491     -0.7209421253     -0.4302517273
 C     -3.1381137948     -1.7456615037     -0.8746920331
 C     -2.2919259175     -2.6634269739     -1.2696208903
 C     -1.1854122596     -3.1151147353     -1.3103530502
 C      0.1396698555     -3.2512037356     -1.2648343127
 C      1.3399770557     -2.9638832242     -1.1507103612
 C      2.5161378514     -2.4211224928     -0.8368507418
 C      3.3729592976     -1.6768580100     -0.4431766871
 C      3.8620937038     -0.5316463099      0.1128848657
 C      3.7468370513      0.4346173274      0.8474558468
 C      3.1275331121      1.5709554381      1.1455465651
 C      2.1835775659      2.3103444385      1.2774440335
18
# ORCA AIMD Position Step 365, t=365.00 fs, E_Pot=-685.23158227 Hartree, Unit is Angstrom
 C      1.0860919239      3.0692119497      1.2542111700
 C     -0.0883375204      3.3828905701      1.1132883124
 C     -1.4487369443      3.1572080332      0.8364422666
 C     -2.5043695790      2.6038263420      0.5625093079
 C     -3.3906374077      1.6404251370      0.3350485578
 C     -3.7891411735      0.5499713159     -0.0040619818
 C     -3.6345002417     -0.7240520194     -0.4339947963
 C     -3.1371138721     -1.7388581997     -0.8732442273
 C     -2.2919510064     -2.6562367323     -1.2725131093
 C     -1.1900957834     -3.1099942221     -1.3149050879
 C      0.1443886933     -3.2491734540     -1.2672836773
 C      1.3316060658     -2.9596322147     -1.1533272030
 C      2.5138567595     -2.4143423376     -0.8379670933
 C      3.3774376585     -1.6795761881     -0.4431590216
 C      3.8661542452     -0.5333584145      0.1168917453
 C      3.7501055997      0.4280681409      0.8449979765
 C      3.1257499227      1.5690612363      1.1470660364
 C      2.1875160117      2.3006978370      1.2783039977
18
# ORCA AIMD Position Step 366, t=366.00 fs, E_Pot=-685.23068945 Hartree, Unit is Angstrom
 C      1.0862751430      3.0679350869      1.2555844037
 C     -0.0831453432      3.3773781965      1.1184209502
 C     -1.4481710909      3.1571785386      0.8460225916
 C     -2.5097918359      2.6029417274      0.5654949786
 C     -3.3879231324      1.6417531763      0.3300602451
 C     -3.7946447701      0.5478061799     -0.0074941117
 C     -3.6367772168     -0.7268829341     -0.4377807777
 C     -3.1376029061     -1.7309224973     -0.8714169003
 C     -2.2925288585     -2.6493153737     -1.2754401094
 C     -1.1929423523     -3.1058951538     -1.3197932099
 C      0.1502152577     -3.2468537400     -1.2698763287
 C      1.3220963048     -2.9559839361     -1.1559804570
 C      2.5110383893     -2.4082449505     -0.8395744008
 C      3.3829215581     -1.6810124781     -0.4425925851
 C      3.8702090414     -0.5364644982      0.1208726311
 C      3.7537914758      0.4216477024      0.8420133713
 C      3.1245888732      1.5666574057      1.1489111023
 C      2.1909071084      2.2925484337      1.2794106532
18
# ORCA AIMD Position Step 367, t=367.00 fs, E_Pot=-685.22929609 Hartree, Unit is Angstrom
 C      1.0859156024      3.0665238526      1.2569623711
 C     -0.0796571739      3.3712515259      1.1231793408
 C     -1.4467534050      3.1571677400      0.8557525967
 C     -2.5134191598      2.6034839725      0.5693561477
 C     -3.3859519060      1.6424186580      0.3246131521
 C     -3.7999887788      0.5453501957     -0.0109801656
 C     -3.6397969808     -0.7287438609     -0.4413142542
 C     -3.1392558644     -1.7225545840     -0.8695221419
 C     -2.2936337852     -2.6426521869     -1.2783915296
 C     -1.1937306282     -3.1028525009     -1.3250139107
 C      0.1558904113     -3.2444300237     -1.2727291542
 C      1.3126358029     -2.9526160385     -1.1585231293
 C      2.5077093269     -2.4027554687     -0.8416321344
 C      3.3891671275     -1.6814205276     -0.4416170942
 C      3.8743324220     -0.5412588908      0.1245999692
 C      3.7577777880      0.4159080944      0.8388262737
 C      3.1245717436      1.5632116097      1.1509762537
 C      2.1931831300      2.2863540699      1.2808140987
18
# ORCA AIMD Position Step 368, t=368.00 fs, E_Pot=-685.22842090 Hartree, Unit is Angstrom
 C      1.0854926218      3.0647819027      1.2584039267
 C     -0.0782490288      3.3646148107      1.1275388607
 C     -1.4448318751      3.1569893981      0.8655338878
 C     -2.5148328396      2.6056877367      0.5742091435
 C     -3.3849294131      1.6420099935      0.3185928053
 C     -3.8050558626      0.5430126717     -0.0144072584
 C     -3.6438984130     -0.7289622221     -0.4443062265
 C     -3.1416768825     -1.7145259305     -0.8679012776
 C     -2.2950856527     -2.6362754092     -1.2813540271
 C     -1.1925205598     -3.1007987419     -1.3305550285
 C      0.1601209554     -3.2421303017     -1.2759748637
 C      1.3045132246     -2.9491717846     -1.1607985835
 C      2.5040180082     -2.3977006550     -0.8440474240
 C      3.3957939079     -1.6812046334     -0.4404487868
 C      3.8786164408     -0.5478952004      0.1279367572
 C      3.7619753176      0.4112745961      0.8356920685
 C      3.1259911485      1.5584026340      1.1531913086
 C      2.1940226763      2.2823680188      1.2825389758
18
# ORCA AIMD Position Step 369, t=369.00 fs, E_Pot=-685.22909281 Hartree, Unit is Angstrom
 C      1.0853216552      3.0625837185      1.2599486208
 C     -0.0791272881      3.3575596920      1.1314998264
 C     -1.4426540725      3.1565264064      0.8752889529
 C     -2.5139088631      2.6095531406      0.5800857067
 C     -3.3848884515      1.6403887904      0.3119689845
 C     -3.8097662902      0.5411411103     -0.0176797309
 C     -3.6493687256     -0.7270274799     -0.4465316681
 C     -3.1444853296     -1.7075357448     -0.8668606987
 C     -2.2965674257     -2.6302685070     -1.2843136756
 C     -1.1896382125     -3.0995798371     -1.3363904237
 C      0.1618238925     -3.2401769237     -1.2797332787
 C      1.2988776043     -2.9453335213     -1.1626672998
 C      2.5002035265     -2.3928607932     -0.8466928480
 C      3.4023431618     -1.6808519943     -0.4393472162
 C      3.8831540698     -0.5563304187      0.1308669625
 C      3.7663335056      0.4079732704      0.8327554286
 C      3.1288262936      1.5522052404      1.1555339347
 C      2.1934405038      2.2805763620      1.2845719969
18
# ORCA AIMD Position Step 370, t=370.00 fs, E_Pot=-685.23148372 Hartree, Unit is Angstrom
 C      1.0854940792      3.0598964343      1.2616088792
 C     -0.0822649625      3.3501651461      1.1350866930
 C     -1.4403547364      3.1557401916      0.8849504691
 C     -2.5108448713      2.6148246733      0.5869074297
 C     -3.3856717630      1.6377307264      0.3048237661
 C     -3.8140834632      0.5399989355     -0.0207203241
 C     -3.6563567996     -0.7227451639     -0.4478889412
 C     -3.1473984553     -1.7020685948     -0.8666069062
 C     -2.2976825014     -2.6247635409     -1.2872544388
 C     -1.1856256939     -3.0989831365     -1.3424730734
 C      0.1604024968     -3.2387250975     -1.2840742176
 C      1.2964641754     -2.9409059933     -1.1640382734
 C      2.4965512689     -2.3880270050     -0.8494271416
 C      3.4083452304     -1.6808565888     -0.4385759776
 C      3.8880201684     -0.5662938620      0.1335011438
 C      3.7708383418      0.4059982089      0.8300332937
 C      3.1327365347      1.5449056788      1.1580267180
 C      2.1917926353      2.2806940055      1.2868584324
18
# ORCA AIMD Position Step 371, t=371.00 fs, E_Pot=-685.23457169 Hartree, Unit is Angstrom
 C      1.0858675004      3.0567802930      1.2633698614
 C     -0.0873706776      3.3424933498      1.1383533981
 C     -1.4379637899      3.1546687720      0.8944674350
 C     -2.5061367532      2.6210238085      0.5944881854
 C     -3.3869549342      1.6344999970      0.2973456304
 C     -3.8180227978      0.5397540496     -0.0234739961
 C     -3.6648151912     -0.7163431646     -0.4484455950
 C     -3.1502924759     -1.6982790670     -0.8671982410
 C     -2.2980435891     -2.6199020615     -1.2901587313
 C     -1.1811539489     -3.0987725487     -1.3487423874
 C      0.1559550467     -3.2378070156     -1.2889934055
 C      1.2973725889     -2.9358742086     -1.1648976231
 C      2.4933350779     -2.3830437598     -0.8521230903
 C      3.4134030257     -1.6816397287     -0.4383571009
 C      3.8932646572     -0.5773190635      0.1360543359
 C      3.7755061927      0.4051210733      0.8274261977
 C      3.1371459431      1.5370305020      1.1607230387
 C      2.1896925888      2.2822197610      1.2893144574
18
# ORCA AIMD Position Step 372, t=372.00 fs, E_Pot=-685.23678626 Hartree, Unit is Angstrom
 C      1.0861281209      3.0533512436      1.2652003300
 C     -0.0939330923      3.3345794372      1.1413814992
 C     -1.4354201153      3.1534119375      0.9038243036
 C     -2.5004936780      2.6275329486      0.6025662128
 C     -3.3883033205      1.6313718306      0.2897968931
 C     -3.8216553232      0.5404779170     -0.0259149935
 C     -3.6745152487     -0.7084458006     -0.4484328929
 C     -3.1532043193     -1.6959901004     -0.8685507764
 C     -2.2973705499     -2.6157765455     -1.2930028949
 C     -1.1769121781     -3.0987270402     -1.3551454772
 C      0.1492659321     -3.2373216864     -1.2944137119
 C      1.3010583514     -2.9303976463     -1.1653178752
 C      2.4907545822     -2.3778342386     -0.8546929330
 C      3.4172719757     -1.6834788712     -0.4388344208
 C      3.8989111459     -0.5888538146      0.1387969577
 C      3.7803766272      0.4049671031      0.8247561218
 C      3.1413938972      1.5291986303      1.1636901130
 C      2.1878457728      2.2845618794      1.2918478319
18
# ORCA AIMD Position Step 373, t=373.00 fs, E_Pot=-685.23711767 Hartree, Unit is Angstrom
 C      1.0858770324      3.0497456828      1.2670631195
 C     -0.1012958103      3.3264366392      1.1442770234
 C     -1.4326297199      3.1521005628      0.9130375913
 C     -2.4947119699      2.6337060286      0.6108525056
 C     -3.3892502800      1.6291016411      0.2824635113
 C     -3.8250935533      0.5421748300     -0.0280398402
 C     -3.6851042980     -0.6999488615     -0.4481992492
 C     -3.1562939835     -1.6947770029     -0.8704781875
 C     -2.2955499630     -2.6123949395     -1.2957566410
 C     -1.1735013151     -3.0986739336     -1.3616482131
 C      0.1415909952     -3.2370707532     -1.3002098240
 C      1.3065127986     -2.9247585693     -1.1654392854
 C      2.4889021401     -2.3724085108     -0.8571065243
 C      3.4198959080     -1.6864720320     -0.4400488567
 C      3.9049622535     -0.6003660945      0.1419969175
 C      3.7854964086      0.4051045295      0.8218166522
 C      3.1448759986      1.5219875370      1.1669892109
 C      2.1869086999      2.2871504414      1.2943775447
18
# ORCA AIMD Position Step 374, t=374.00 fs, E_Pot=-685.23574044 Hartree, Unit is Angstrom
 C      1.0847385663      3.0460770806      1.2689260160
 C     -0.1087469763      3.3180692318      1.1471585596
 C     -1.4295357624      3.1508598183      0.9221385823
 C     -2.4895484299      2.6389590574      0.6190716267
 C     -3.3893644939      1.6284075383      0.2756163584
 C     -3.8284650860      0.5448200739     -0.0298570121
 C     -3.6961878324     -0.6918379520     -0.4481357585
 C     -3.1597679441     -1.6941197372     -0.8727593530
 C     -2.2926594065     -2.6096644397     -1.2983759986
 C     -1.1713625974     -3.0985079847     -1.3682392326
 C      0.1343494714     -3.2368185824     -1.3062379673
 C      1.3125421412     -2.9192869462     -1.1654384466
 C      2.4877546289     -2.3668590081     -0.8593917662
 C      3.4214047625     -1.6905374136     -0.4419383180
 C      3.9113993325     -0.6114263330      0.1458726489
 C      3.7909007267      0.4051399644      0.8184198599
 C      3.1471408322      1.5158328266      1.1706603394
 C      2.1873750224      2.2895341077      1.2968434973
18
# ORCA AIMD Position Step 375, t=375.00 fs, E_Pot=-685.23387978 Hartree, Unit is Angstrom
 C      1.0824885626      3.0423924477      1.2707745216
 C     -0.1156131103      3.3094978362      1.1501442143
 C     -1.4261906346      3.1497759623      0.9311521251
 C     -2.4856493989      2.6428145373      0.6269827948
 C     -3.3882746364      1.6298964761      0.2694929591
 C     -3.8318929205      0.5483793171     -0.0313835415
 C     -3.7073967650     -0.6850113378     -0.4486038568
 C     -3.1637799982     -1.6935699930     -0.8752128283
 C     -2.2889877386     -2.6073659965     -1.3007817996
 C     -1.1707024033     -3.0981977711     -1.3749281795
 C      0.1288092399     -3.2363434677     -1.3123635081
 C      1.3180393311     -2.9142833187     -1.1654904759
 C      2.4871555054     -2.3613659020     -0.8616361188
 C      3.4221010470     -1.6954165074     -0.4443424324
 C      3.9181790735     -0.6217706470      0.1505555771
 C      3.7965808669      0.4048126203      0.8144373948
 C      3.1479593280      1.5109530438      1.1747077016
 C      2.1895010676      2.2914392344      1.2992075460
18
# ORCA AIMD Position Step 376, t=376.00 fs, E_Pot=-685.23284362 Hartree, Unit is Angstrom
 C      1.0789768609      3.0387024603      1.2725980742
 C     -0.1212428579      3.3007320218      1.1533487525
 C     -1.4228272746      3.1488627279      0.9400604379
 C     -2.4833397361      2.6450347561      0.6344504499
 C     -3.3858177628      1.6338513496      0.2642222231
 C     -3.8354259100      0.5529041064     -0.0326122899
 C     -3.7184224400     -0.6801950755     -0.4499034834
 C     -3.1685025043     -1.6926992053     -0.8776620229
 C     -2.2848724534     -2.6052902833     -1.3029208909
 C     -1.1715847077     -3.0977711915     -1.3817317624
 C      0.1260381768     -3.2354599546     -1.3184719797
 C      1.3220170448     -2.9100279306     -1.1657693340
 C      2.4869566739     -2.3560964977     -0.8639321118
 C      3.4223291858     -1.7008269699     -0.4470757749
 C      3.9252583087     -0.6311905340      0.1561335899
 C      3.8025373962      0.4039026807      0.8097835031
 C      3.1472405074      1.5074419386      1.1791088002
 C      2.1933524462      2.2927443568      1.3014549906
18
# ORCA AIMD Position Step 377, t=377.00 fs, E_Pot=-685.23347759 Hartree, Unit is Angstrom
 C      1.0742982248      3.0349390645      1.2744090349
 C     -0.1251436630      3.2918251015      1.1568610997
 C     -1.4198465788      3.1480631991      0.9488015427
 C     -2.4827150897      2.6455526638      0.6414041371
 C     -3.3819620722      1.6403007136      0.2598662554
 C     -3.8390542062      0.5584582120     -0.0335398999
 C     -3.7290396064     -0.6778100319     -0.4522120091
 C     -3.1739945683     -1.6912744978     -0.8800169659
 C     -2.2807642116     -2.6031645801     -1.3047119368
 C     -1.1738136047     -3.0973143341     -1.3886682707
 C      0.1266370176     -3.2340439987     -1.3244808034
 C      1.3238163913     -2.9067097302     -1.1664095333
 C      2.4869438054     -2.3512569403     -0.8663906253
 C      3.4224948897     -1.7064125174     -0.4499149711
 C      3.9325684363     -0.6396145349      0.1626084738
 C      3.8087067146      0.4023664590      0.8044550987
 C      3.1451116046      1.5051765088      1.1837953691
 C      2.1987580481      2.2935050097      1.3035843542
18
# ORCA AIMD Position Step 378, t=378.00 fs, E_Pot=-685.23566360 Hartree, Unit is Angstrom
 C      1.0687617412      3.0309821769      1.2762352355
 C     -0.1270259506      3.2828677798      1.1607343734
 C     -1.4177670609      3.1472614140      0.9572670626
 C     -2.4836037958      2.6444974740      0.6478498966
 C     -3.3768552184      1.6489623430      0.2564005814
 C     -3.8426909631      0.5651136957     -0.0341650700
 C     -3.7391088063     -0.6779383653     -0.4555707229
 C     -3.1802253085     -1.6892315271     -0.8822547965
 C     -2.2771306909     -2.6007236860     -1.3060721987
 C     -1.1769947677     -3.0969495528     -1.3957432162
 C      0.1307214792     -3.2320391110     -1.3303413789
 C      1.3231203860     -2.9044268772     -1.1674990578
 C      2.4869067221     -2.3470435066     -0.8691097528
 C      3.4229813607     -1.7118267644     -0.4526424151
 C      3.9400247590     -0.6470516139      0.1699112322
 C      3.8149784441      0.4002951452      0.7985296132
 C      3.1418732055      1.5038704824      1.1886556772
 C      2.2053527902      2.2939192995      1.3056066674
18
# ORCA AIMD Position Step 379, t=379.00 fs, E_Pot=-685.23842213 Hartree, Unit is Angstrom
 C      1.0628724984      3.0266768123      1.2781173962
 C     -0.1268688892      3.2739784648      1.1649810416
 C     -1.4171156671      3.1463123445      0.9653279089
 C     -2.4856108351      2.6421761602      0.6538671639
 C     -3.3708192354      1.6592683192      0.2537126339
 C     -3.8461865441      0.5729162499     -0.0344985682
 C     -3.7485821256     -0.6803099954     -0.4598843129
 C     -3.1870833874     -1.6866644863     -0.8844119571
 C     -2.2743770365     -2.5977503137     -1.3069346356
 C     -1.1806161549     -3.0968065012     -1.4029443144
 C      0.1378989585     -3.2294662962     -1.3360508101
 C      1.3200156637     -2.9031615988     -1.1690629415
 C      2.4866755623     -2.3436090969     -0.8721573223
 C      3.4240773164     -1.7167950247     -0.4550792778
 C      3.9475428575     -0.6535869950      0.1779061987
 C      3.8212117955      0.3978915504      0.7921606497
 C      3.1379610638      1.5031186769      1.1935463511
 C      2.2126254064      2.2942930824      1.3075446440
18
# ORCA AIMD Position Step 380, t=380.00 fs, E_Pot=-685.24040746 Hartree, Unit is Angstrom
 C      1.0572843857      3.0218485447      1.2801079364
 C     -0.1249607835      3.2652871551      1.1695732430
 C     -1.4182937905      3.1450830843      0.9728741778
 C     -2.4882128195      2.6390156315      0.6595926158
 C     -3.3643068004      1.6704624119      0.2516197133
 C     -3.8493613486      0.5818462554     -0.0345771249
 C     -3.7575146058     -0.6843368794     -0.4649367720
 C     -3.1943849845     -1.6838112268     -0.8865818054
 C     -2.2727815035     -2.5941014690     -1.3072554869
 C     -1.1841463843     -3.0969892727     -1.4102481613
 C      0.1472911999     -3.2264329496     -1.3416643901
 C      1.3150189573     -2.9027670610     -1.1710561235
 C      2.4861483471     -2.3410376701     -0.8755587843
 C      3.4259416510     -1.7211438014     -0.4571065982
 C      3.9550486593     -0.6593876102      0.1864065973
 C      3.8272522735      0.3954503636      0.7855575512
 C      3.1338932080      1.5024402639      1.1983089584
 C      2.2199947385      2.2949913822      1.3094334263
18
# ORCA AIMD Position Step 381, t=381.00 fs, E_Pot=-685.24063613 Hartree, Unit is Angstrom
 C      1.0527196946      3.0163219380      1.2822673562
 C     -0.1218845455      3.2569202637      1.1744476582
 C     -1.4214645996      3.1434856347      0.9798513977
 C     -2.4908688547      2.6354901232      0.6651897589
 C     -3.3578339431      1.6817278076      0.2499028159
 C     -3.8520404751      0.5917953286     -0.0344738774
 C     -3.7660581138     -0.6891987174     -0.4704197121
 C     -3.2018980115     -1.6810162411     -0.8889061519
 C     -2.2724524682     -2.5897292367     -1.3070204652
 C     -1.1871316045     -3.0975475420     -1.4176263664
 C      0.1576213031     -3.2231339568     -1.3472981914
 C      1.3090373826     -2.9029781254     -1.1733693284
 C      2.4853064187     -2.3393390514     -0.8792952046
 C      3.4286036589     -1.7248038094     -0.4586694697
 C      3.9624833548     -0.6646897787      0.1952006602
 C      3.8329435469      0.3933283256      0.7789618050
 C      3.1302003843      1.5013394506      1.2027891686
 C      2.2269034819      2.2963752284      1.3113104833
18
# ORCA AIMD Position Step 382, t=382.00 fs, E_Pot=-685.23905361 Hartree, Unit is Angstrom
 C      1.0498587200      3.0099500010      1.2846531569
 C     -0.1183975411      3.2489832050      1.1795254068
 C     -1.4265182767      3.1415016960      0.9862716920
 C     -2.4931187879      2.6320553289      0.6708226353
 C     -3.3519210303      1.6922934228      0.2483294191
 C     -3.8540845480      0.6025572125     -0.0342906147
 C     -3.7744230537     -0.6939706653     -0.4759919510
 C     -3.2093782099     -1.6786644816     -0.8915402157
 C     -2.2733030065     -2.5846849582     -1.3062518399
 C     -1.1892959888     -3.0984567130     -1.4250407175
 C      0.1673782125     -3.2198328477     -1.3531229169
 C      1.3032563721     -2.9034462675     -1.1758404131
 C      2.4842300721     -2.3384433543     -0.8833041636
 C      3.4319630602     -1.7278080492     -0.4597717183
 C      3.9698056518     -0.6697651714      0.2040685808
 C      3.8381473013      0.3918807857      0.7726162605
 C      3.1273375072      1.4993981540      1.2068524153
 C      2.2329148103      2.2987249296      1.3132159342
18
# ORCA AIMD Position Step 383, t=383.00 fs, E_Pot=-685.23665192 Hartree, Unit is Angstrom
 C      1.0492136717      3.0026398217      1.2873114026
 C     -0.1152739482      3.2415481875      1.1847295323
 C     -1.4330804541      3.1391903395      0.9922169130
 C     -2.4946637013      2.6290832304      0.6766237921
 C     -3.3470272827      1.7015326898      0.2466925016
 C     -3.8554119334      0.6138347493     -0.0341580876
 C     -3.7828302047     -0.6977600042     -0.4813279377
 C     -3.2166147616     -1.6771020758     -0.8946235271
 C     -2.2750669232     -2.5791177479     -1.3050060112
 C     -1.1905760525     -3.0996112188     -1.4324456435
 C      0.1750459696     -3.2168193792     -1.3593343351
 C      1.2989280785     -2.9038019927     -1.1782914399
 C      2.4830973035     -2.3382147962     -0.8874820837
 C      3.4358217747     -1.7302654478     -0.4604640268
 C      3.9769859787     -0.6748771033      0.2128113088
 C      3.8427577056      0.3914115829      0.7667349251
 C      3.1256028540      1.4963510132      1.2103979098
 C      2.2377983960      2.3021663151      1.3151787743
18
# ORCA AIMD Position Step 384, t=384.00 fs, E_Pot=-685.23483560 Hartree, Unit is Angstrom
 C      1.0510051188      2.9943844901      1.2902686706
 C     -0.1131316945      3.2346413290      1.1900012120
 C     -1.4405590959      3.1366862712      0.9978305655
 C     -2.4954202333      2.6268100325      0.6826661212
 C     -3.3434981017      1.7090336418      0.2448378997
 C     -3.8560093101      0.6252403927     -0.0342286219
 C     -3.7914547819     -0.6998297759     -0.4861660575
 C     -3.2234766861     -1.6765508215     -0.8982428546
 C     -2.2773416577     -2.5732557036     -1.3033717033
 C     -1.1911118014     -3.1008390443     -1.4397859777
 C      0.1793886038     -3.2143422470     -1.3661093416
 C      1.2970841102     -2.9037475712     -1.1805722623
 C      2.4821667580     -2.3384680981     -0.8916965883
 C      3.4399364795     -1.7323157729     -0.4608236569
 C      3.9839977134     -0.6802333415      0.2212780265
 C      3.8467045176      0.3921142614      0.7614677411
 C      3.1250914808      1.4921314518      1.2133681067
 C      2.2415829313      2.3066310339      1.3172083728
18
# ORCA AIMD Position Step 385, t=385.00 fs, E_Pot=-685.23437329 Hartree, Unit is Angstrom
 C      1.0550758644      2.9852837867      1.2935242841
 C     -0.1123018795      3.2282413382      1.1953069910
 C     -1.4482061356      3.1341912449      1.0033017206
 C     -2.4955358830      2.6253109507      0.6889379891
 C     -3.3415292482      1.7146373039      0.2426930972
 C     -3.8559354603      0.6362950659     -0.0346764919
 C     -3.8003684956     -0.6996922654     -0.4903393679
 C     -3.2299482341     -1.6770355379     -0.9024050749
 C     -2.2796611768     -2.5673751430     -1.3014563613
 C     -1.1911962908     -3.1019274983     -1.4469995527
 C      0.1797325126     -3.2125349118     -1.3735492824
 C      1.2982511281     -2.9031325811     -1.1826152792
 C      2.4817550088     -2.3390008984     -0.8957937836
 C      3.4440527216     -1.7341054280     -0.4609348324
 C      3.9908041783     -0.6859394314      0.2293714139
 C      3.8499629923      0.3940386781      0.7568933179
 C      3.1256960176      1.4868849010      1.2157481023
 C      2.2445497161      2.3118363916      1.3192901447
18
# ORCA AIMD Position Step 386, t=386.00 fs, E_Pot=-685.23482952 Hartree, Unit is Angstrom
 C      1.0608828370      2.9755550294      1.2970466720
 C     -0.1127778203      3.2222788170      1.2006389489
 C     -1.4551976922      3.1319488869      1.0088355744
 C     -2.4953654608      2.6245031144      0.6953419685
 C     -3.3411442646      1.7184471982      0.2402765951
 C     -3.8553233682      0.6464340166     -0.0356896587
 C     -3.8095083470     -0.6971600652     -0.4937922001
 C     -3.2361338848     -1.6783604381     -0.9070179601
 C     -2.2815758545     -2.5617631260     -1.2993787414
 C     -1.1912068812     -3.1026556524     -1.4540160412
 C      0.1761450117     -3.2113720085     -1.3816399631
 C      1.3022653005     -2.9020097117     -1.1844659104
 C      2.4821858808     -2.3396146755     -0.8996220079
 C      3.4479646321     -1.7357397102     -0.4608571379
 C      3.9973443750     -0.6919762722      0.2370460628
 C      3.8525452358      0.3970620615      0.7530060086
 C      3.1271503760      1.4809324650      1.2175632452
 C      2.2471873015      2.3173339645      1.3213917827
18
# ORCA AIMD Position Step 387, t=387.00 fs, E_Pot=-685.23507187 Hartree, Unit is Angstrom
 C      1.0675844805      2.9655032320      1.3007835644
 C     -0.1142531513      3.2166466703      1.2060121698
 C     -1.4607455772      3.1302051922      1.0146282260
 C     -2.4953909152      2.6241837505      0.7017173352
 C     -3.3422025024      1.7208022947      0.2376933278
 C     -3.8543682895      0.6550492984     -0.0374569603
 C     -3.8186856253     -0.6923450932     -0.4965833561
 C     -3.2422373671     -1.6801340908     -0.9119028556
 C     -2.2827347259     -2.5566634382     -1.2972504479
 C     -1.1915309829     -3.1028305133     -1.4607684878
 C      0.1694045423     -3.2106744116     -1.3902495342
 C      1.3083124746     -2.9006172548     -1.1862814005
 C      2.4837386520     -2.3401454186     -0.9030521119
 C      3.4515461939     -1.7372621825     -0.4606143461
 C      4.0035374808     -0.6982105696      0.2443058124
 C      3.8545043476      0.4009013282      0.7497224332
 C      3.1291050422      1.4746992639      1.2188671204
 C      2.2500929820      2.3225878811      1.3234718192
18
# ORCA AIMD Position Step 388, t=388.00 fs, E_Pot=-685.23440124 Hartree, Unit is Angstrom
 C      1.0742099029      2.9554623785      1.3046774652
 C     -0.1162283147      3.2112151618      1.2114603997
 C     -1.4642277809      3.1291540035      1.0208401716
 C     -2.4960943307      2.6241054070      0.7078868291
 C     -3.3444466011      1.7221994579      0.2351096860
 C     -3.8532998866      0.6615635583     -0.0401546999
 C     -3.8276244136     -0.6856019679     -0.4988637654
 C     -3.2485205568     -1.6818446361     -0.9168340335
 C     -2.2829499602     -2.5522295502     -1.2951558066
 C     -1.1924992494     -3.1023135843     -1.4672092943
 C      0.1607604466     -3.2101680335     -1.3991689005
 C      1.3151773967     -2.8993000186     -1.1882960894
 C      2.4865991896     -2.3404908841     -0.9060003782
 C      3.4547725454     -1.7386493856     -0.4601853867
 C      4.0092932595     -0.7044307423      0.2511939077
 C      3.8559280343      0.4051608644      0.7469049236
 C      3.1312097004      1.4686243311      1.2197297493
 C      2.2538586732      2.3270775169      1.3254892519
18
# ORCA AIMD Position Step 389, t=389.00 fs, E_Pot=-685.23310408 Hartree, Unit is Angstrom
 C      1.0798451934      2.9457339527      1.3086809184
 C     -0.1181386297      3.2058544407      1.2170290712
 C     -1.4653006943      3.1288877304      1.0275672965
 C     -2.4978187827      2.6240627384      0.7137105659
 C     -3.3475763855      1.7231756447      0.2327131077
 C     -3.8523415401      0.6655154377     -0.0439256842
 C     -3.8360159802     -0.6774409697     -0.5008447953
 C     -3.2552425360     -1.6829576172     -0.9215824551
 C     -2.2822308713     -2.5484961268     -1.2931380070
 C     -1.1943336826     -3.1010339053     -1.4733183948
 C      0.1516162724     -3.2095579238     -1.4081656847
 C      1.3215680570     -2.8984096199     -1.1907651661
 C      2.4908209691     -2.3406297910     -0.9084413766
 C      3.4577155000     -1.7398172114     -0.4595071742
 C      4.0145237922     -0.7103885120      0.2577781816
 C      3.8569293815      0.4093892358      0.7443850718
 C      3.1331852552      1.4630819183      1.2202232917
 C      2.2589570117      2.3303875737      1.3274133603
18
# ORCA AIMD Position Step 390, t=390.00 fs, E_Pot=-685.23204173 Hartree, Unit is Angstrom
 C      1.0837892863      2.9365411477      1.3127625207
 C     -0.1194591352      3.2004523053      1.2227660266
 C     -1.4639630923      3.1293660432      1.0348183591
 C     -2.5006657532      2.6239607943      0.7191249825
 C     -3.3513252316      1.7241812788      0.2306686990
 C     -3.8516678876      0.6666458751     -0.0488530294
 C     -3.8435641387     -0.6684440380     -0.5027649233
 C     -3.2626021374     -1.6830068399     -0.9259510664
 C     -2.2807822653     -2.5453729808     -1.2911952679
 C     -1.1971196968     -3.0989902823     -1.4791006809
 C      0.1432626356     -3.2085856870     -1.4170294294
 C      1.3263832300     -2.8982249217     -1.1939106813
 C      2.4963073710     -2.3406261841     -0.9104077939
 C      3.4605182544     -1.7406435094     -0.4584884958
 C      4.0191514815     -0.7158318086      0.2641333367
 C      3.8576309194      0.4131343924      0.7419935179
 C      3.1348627229      1.4583362928      1.2204118606
 C      2.2656556385      2.3322715238      1.3292269258
18
# ORCA AIMD Position Step 391, t=391.00 fs, E_Pot=-685.23191220 Hartree, Unit is Angstrom
 C      1.0856520333      2.9280046704      1.3169075790
 C     -0.1197756236      3.1949325813      1.2287112584
 C     -1.4605587007      3.1304152232      1.0425070067
 C     -2.5044567408      2.6238429980      0.7241537673
 C     -3.3555174599      1.7254779123      0.2290887596
 C     -3.8513690294      0.6649744320     -0.0549356002
 C     -3.8500129531     -0.6592105257     -0.5048612014
 C     -3.2706990172     -1.6816536102     -0.9297956262
 C     -2.2789747502     -2.5426637598     -1.2892859527
 C     -1.2007958105     -3.0962444473     -1.4845782042
 C      0.1367176397     -3.2070587909     -1.4255915324
 C      1.3288638216     -2.8989088805     -1.1978867443
 C      2.5028183381     -2.3406185303     -0.9119800682
 C      3.4633506042     -1.7410009383     -0.4570319086
 C      4.0231124751     -0.7205230439      0.2703268635
 C      3.8581532803      0.4159853992      0.7395834914
 C      3.1361989108      1.4545231627      1.2203408801
 C      2.2739626152      2.3326775169      1.3309281053
18
# ORCA AIMD Position Step 392, t=392.00 fs, E_Pot=-685.23276000 Hartree, Unit is Angstrom
 C      1.0853920815      2.9201407653      1.3211143431
 C     -0.1188274880      3.1892643697      1.2348874498
 C     -1.4557135929      3.1317571848      1.0504620257
 C     -2.5087663567      2.6238758734      0.7288978309
 C     -3.3600947812      1.7270815882      0.2280100679
 C     -3.8514324611      0.6608507408     -0.0620638526
 C     -3.8551687248     -0.6503242697     -0.5073522983
 C     -3.2795164012     -1.6787221095     -0.9330334969
 C     -2.2772824012     -2.5401026850     -1.2873412857
 C     -1.2051665077     -3.0929064848     -1.4897798762
 C      0.1326465991     -3.2048601883     -1.4337299695
 C      1.3286439121     -2.9004966881     -1.2027639286
 C      2.5100093592     -2.3407898033     -0.9132643810
 C      3.4663565816     -1.7408002278     -0.4550656630
 C      4.0263642824     -0.7242526416      0.2764098472
 C      3.8586052300      0.4176114703      0.7370505106
 C      3.1372715279      1.4516470367      1.2200351400
 C      2.2836149634      2.3317479950      1.3325282427
18
# ORCA AIMD Position Step 393, t=393.00 fs, E_Pot=-685.23406834 Hartree, Unit is Angstrom
 C      1.0833114321      2.9128698905      1.3253920477
 C     -0.1165412506      3.1834645533      1.2412976634
 C     -1.4502189383      3.1330618875      1.0584596547
 C     -2.5130325717      2.6242844665      0.7334986761
 C     -3.3650922257      1.7287921864      0.2274020022
 C     -3.8517527491      0.6549374211     -0.0700216759
 C     -3.8589153061     -0.6423232259     -0.5104255612
 C     -3.2889220243     -1.6742145898     -0.9356483785
 C     -2.2762228283     -2.5373910099     -1.2852800103
 C     -1.2099274701     -3.0891162481     -1.4947343078
 C      0.1313187631     -3.2019483310     -1.4413758174
 C      1.3257741865     -2.9028948792     -1.2085208994
 C      2.5174708370     -2.3413398952     -0.9143773215
 C      3.4696153376     -1.7400123537     -0.4525580823
 C      4.0288925595     -0.7268704696      0.2824044845
 C      3.8590743439      0.4177923687      0.7343448202
 C      3.1382718908      1.4495884686      1.2194944295
 C      2.2941074744      2.3297980647      1.3340545212
18
# ORCA AIMD Position Step 394, t=394.00 fs, E_Pot=-685.23512474 Hartree, Unit is Angstrom
 C      1.0799913917      2.9060372238      1.3297599310
 C     -0.1130381344      3.1775896677      1.2479282211
 C     -1.4448934776      3.1340039222      1.0662668040
 C     -2.5166731653      2.6252915566      0.7381060939
 C     -3.3706036197      1.7302642304      0.2271820494
 C     -3.8521627703      0.6481330003     -0.0785083416
 C     -3.8612291700     -0.6356649390     -0.5142301325
 C     -3.2986956328     -1.6682999522     -0.9376880013
 C     -2.2762627409     -2.5342503975     -1.2830278732
 C     -1.2147284675     -3.0850110595     -1.4994642307
 C      0.1325991367     -3.1983520694     -1.4485211288
 C      1.3206779542     -2.9059072311     -1.2150564455
 C      2.5248083881     -2.3424431696     -0.9154197790
 C      3.4731132681     -1.7386968571     -0.4495366828
 C      4.0307188503     -0.7283044614      0.2883057898
 C      3.8596183735      0.4164517582      0.7314800384
 C      3.1394712274      1.4481259815      1.2186963850
 C      2.3047851287      2.3272573524      1.3355477471
18
# ORCA AIMD Position Step 395, t=395.00 fs, E_Pot=-685.23537959 Hartree, Unit is Angstrom
 C      1.0761992048      2.8994400371      1.3342470513
 C     -0.1086330806      3.1717283394      1.2547535079
 C     -1.4404460194      3.1343092570      1.0736827315
 C     -2.5192096010      2.6270508937      0.7428377642
 C     -3.3767221347      1.7311185117      0.2272521426
 C     -3.8524749038      0.6414359870     -0.0871842199
 C     -3.8621915440     -0.6306623856     -0.5188580488
 C     -3.3085451067     -1.6613115513     -0.9392665542
 C     -2.2777444010     -2.5304646636     -1.2805336214
 C     -1.2192487990     -3.0806925381     -1.5039806418
 C      0.1359661715     -3.1941639097     -1.4552232546
 C      1.3141138278     -2.9092563240     -1.2222012950
 C      2.5316985459     -2.3442202634     -0.9164586614
 C      3.4767362042     -1.7369965240     -0.4460853948
 C      4.0318977178     -0.7286060246      0.2940672950
 C      3.8602605810      0.4136807247      0.7285374373
 C      3.1411843937      1.4469753739      1.2176006765
 C      2.3149496557      2.3245990441      1.3370587296
18
# ORCA AIMD Position Step 396, t=396.00 fs, E_Pot=-685.23463823 Hartree, Unit is Angstrom
 C      1.0727701353      2.8928594884      1.3388896927
 C     -0.1037858243      3.1659882566      1.2617405616
 C     -1.4373863258      3.1337818696      1.0805659297
 C     -2.5203436258      2.6296113753      0.7477536674
 C     -3.3834932645      1.7310409338      0.2275323349
 C     -3.8525219317      0.6358039814     -0.0957185636
 C     -3.8619845946     -0.6274403775     -0.5243307065
 C     -3.3181310230     -1.6537254110     -0.9405594667
 C     -2.2808242338     -2.5259167480     -1.2777827471
 C     -1.2232711854     -3.0761964859     -1.5082758743
 C      0.1405847585     -3.1895287642     -1.4615973249
 C      1.3070850784     -2.9126190421     -1.2297410507
 C      2.5379268572     -2.3467221429     -0.9175153692
 C      3.4802843747     -1.7351264705     -0.4423408650
 C      4.0325122387     -0.7279638630      0.2996025608
 C      3.8609911807      0.4097436448      0.7256605094
 C      3.1437066980      1.4458525232      1.2161622186
 C      2.3239740117      2.3222551827      1.3386373399
18
# ORCA AIMD Position Step 397, t=397.00 fs, E_Pot=-685.23311020 Hartree, Unit is Angstrom
 C      1.0704905101      2.8860936800      1.3437261919
 C     -0.0990349199      3.1604791627      1.2688550039
 C     -1.4359692318      3.1323167161      1.0868470972
 C     -2.5200076197      2.6328922510      0.7528377449
 C     -3.3908735149      1.7298713870      0.2279937358
 C     -3.8521870425      0.6320095818     -0.1038390642
 C     -3.8608838721     -0.6258841476     -0.5305849160
 C     -3.3270798694     -1.6461411808     -0.9417940770
 C     -2.2854588868     -2.5206011931     -1.2748043710
 C     -1.2267175884     -3.0714811100     -1.5123179854
 C      0.1454110962     -3.1846239821     -1.4678028603
 C      1.3007411387     -2.9156560961     -1.2374354391
 C      2.5433848390     -2.3499373494     -0.9185719760
 C      3.4835051740     -1.7333405606     -0.4384655553
 C      4.0326641398     -0.7267127865      0.3047739022
 C      3.8617692419      0.4050597779      0.7230481503
 C      3.1472593105      1.4445397461      1.2143407569
 C      2.3313914286      2.3205417442      1.3403250978
18
# ORCA AIMD Position Step 398, t=398.00 fs, E_Pot=-685.23134232 Hartree, Unit is Angstrom
 C      1.0699787674      2.8789892171      1.3487911145
 C     -0.0948997670      3.1552942350      1.2760676987
 C     -1.4361865076      3.1298985908      1.0925301624
 C     -2.5183698579      2.6366887564      0.7579970353
 C     -3.3987168200      1.7276467633      0.2286745051
 C     -3.8514224811      0.6305408187     -0.1113667495
 C     -3.8592346466     -0.6256294194     -0.5374717455
 C     -3.3350078239     -1.6392391453     -0.9432321170
 C     -2.2914159709     -2.5146229488     -1.2716732321
 C     -1.2296627760     -3.0664287087     -1.5160487567
 C      0.1493531013     -3.1796301995     -1.4740173998
 C      1.2962274903     -2.9180519865     -1.2450477524
 C      2.5480570353     -2.3538049263     -0.9195813879
 C      3.4861258053     -1.7319030434     -0.4346266951
 C      4.0324643955     -0.7253060408      0.3094001436
 C      3.8625361974      0.4001528453      0.7209328687
 C      3.1519372414      1.4429496461      1.2121156207
 C      2.3369603829      2.3196002448      1.3421461106
18
# ORCA AIMD Position Step 399, t=399.00 fs, E_Pot=-685.23000527 Hartree, Unit is Angstrom
 C      1.0715794959      2.8714675392      1.3541092577
 C     -0.0917635263      3.1504895533      1.2833592466
 C     -1.4377871248      3.1265952833      1.0976872702
 C     -2.5158219768      2.6406877908      0.7630655581
 C     -3.4067748963      1.7246129851      0.2296854808
 C     -3.8502548109      0.6315530380     -0.1182342771
 C     -3.8574206506     -0.6260967852     -0.5447687640
 C     -3.3415507720     -1.6337206613     -0.9451449450
 C     -2.2983157830     -2.5081797411     -1.2685024094
 C     -1.2323110640     -3.0608672719     -1.5193908565
 C      0.1514824501     -3.1746909447     -1.4803933175
 C      1.2944893090     -2.9195618596     -1.2523843540
 C      2.5519920397     -2.3582333246     -0.9204794202
 C      3.4878909721     -1.7310583899     -0.4309798869
 C      4.0320201356     -0.7242670785      0.3132777960
 C      3.8632329233      0.3955865441      0.7195498072
 C      3.1576779489      1.4411606421      1.2094997907
 C      2.3406880490      2.3193741419      1.3440980933
18
# ORCA AIMD Position Step 400, t=400.00 fs, E_Pot=-685.22957218 Hartree, Unit is Angstrom
 C      1.0752926210      2.8635489785      1.3596878318
 C     -0.0897940618      3.1460698179      1.2907195458
 C     -1.4403155708      3.1225466758      1.1024453186
 C     -2.5129356578      2.6444984972      0.7678196999
 C     -3.4147108020      1.7212147679      0.2312038118
 C     -3.8487853226      0.6348615832     -0.1244862273
 C     -3.8558161626     -0.6265893455     -0.5522136657
 C     -3.3464086465     -1.6302148014     -0.9477734144
 C     -2.3056863695     -2.5015374054     -1.2654332653
 C     -1.2349418914     -3.0546049796     -1.5222564000
 C      0.1512421680     -3.1698756559     -1.4870140521
 C      1.2960669543     -2.9200535660     -1.2593295596
 C      2.5552723915     -2.3631182427     -0.9212003202
 C      3.4885933510     -1.7310068145     -0.4276531372
 C      4.0314222386     -0.7241053237      0.3162094781
 C      3.8638177379      0.3918700197      0.7191002469
 C      3.1642667303      1.4394130276      1.2065456407
 C      2.3428121730      2.3196254985      1.3461513618
18
# ORCA AIMD Position Step 401, t=401.00 fs, E_Pot=-685.23007610 Hartree, Unit is Angstrom
 C      1.0807625086      2.8553591957      1.3655126716
 C     -0.0889124261      3.1419858014      1.2981434526
 C     -1.4431792459      3.1179454061      1.1069651476
 C     -2.5103927845      2.6476944132      0.7720031024
 C     -3.4221247285      1.7180576766      0.2334553256
 C     -3.8471807578      0.6399857598     -0.1302618738
 C     -3.8547258376     -0.6264430258     -0.5595560290
 C     -3.3494071119     -1.6291540706     -0.9512768481
 C     -2.3130204839     -2.4950033126     -1.2626231322
 C     -1.2378410879     -3.0474703337     -1.5245595182
 C      0.1485862205     -3.1651592553     -1.4938627282
 C      1.3009537240     -2.9195326552     -1.2658672130
 C      2.5579867964     -2.3683576453     -0.9216912135
 C      3.4880983837     -1.7318853689     -0.4247365593
 C      4.0307339856     -0.7252158692      0.3180417962
 C      3.8642835105      0.3893573598      0.7197113823
 C      3.1713724891      1.4380660616      1.2033443942
 C      2.3437485896      2.3199877611      1.3482529302
18
# ORCA AIMD Position Step 402, t=402.00 fs, E_Pot=-685.23116105 Hartree, Unit is Angstrom
 C      1.0873406146      2.8471125898      1.3715513470
 C     -0.0888237087      3.1381415144      1.3056275038
 C     -1.4457472807      3.1130031699      1.1114149725
 C     -2.5088804577      2.6498709013      0.7753658190
 C     -3.4285994211      1.7158310504      0.2366843187
 C     -3.8456502668      0.6462447861     -0.1357655450
 C     -3.8543231504     -0.6251905625     -0.5666173865
 C     -3.3505635404     -1.6306494700     -0.9556859516
 C     -2.3198354467     -2.4888943539     -1.2602281723
 C     -1.2412291985     -3.0393478194     -1.5262326350
 C      0.1439821323     -3.1604276609     -1.5008219851
 C      1.3085847321     -2.9181369687     -1.2720812656
 C      2.5602098569     -2.3738666378     -0.9219238585
 C      3.4863633386     -1.7337536894     -0.4222738814
 C      4.0299820074     -0.7277891676      0.3187024626
 C      3.8646686148      0.3881624504      0.7214040279
 C      3.1786106281      1.4375260296      1.2000152427
 C      2.3440128669      2.3200432353      1.3503367894
18
# ORCA AIMD Position Step 403, t=403.00 fs, E_Pot=-685.23238813 Hartree, Unit is Angstrom
 C      1.0942139596      2.8390719777      1.3777631381
 C     -0.0891020718      3.1344112870      1.3131691710
 C     -1.4474723815      3.1079041679      1.1159388453
 C     -2.5089595465      2.6507126283      0.7777135936
 C     -3.4337644176      1.7151897520      0.2411113437
 C     -3.8444066565      0.6529006816     -0.1412242729
 C     -3.8546142242     -0.6226756028     -0.5733361584
 C     -3.3501218735     -1.6344225737     -0.9608825137
 C     -2.3257307315     -2.4835020962     -1.2583853311
 C     -1.2451976662     -3.0302009372     -1.5272414131
 C      0.1382647790     -3.1555069272     -1.5077063393
 C      1.3179743840     -2.9160997667     -1.2781323593
 C      2.5619889806     -2.3795920895     -0.9219030741
 C      3.4834444063     -1.7365888237     -0.4202562191
 C      4.0291529624     -0.7317645535      0.3182211929
 C      3.8650561437      0.3881236814      0.7240816322
 C      3.1856197626      1.4381637685      1.1966853566
 C      2.3441276729      2.3194064290      1.3523383957
18
# ORCA AIMD Position Step 404, t=404.00 fs, E_Pot=-685.23349261 Hartree, Unit is Angstrom
 C      1.1005617696      2.8315008081      1.3841089269
 C     -0.0892985401      3.1306616526      1.3207655727
 C     -1.4480060116      3.1027594941      1.1206250808
 C     -2.5109393724      2.6500535977      0.7789530687
 C     -3.4373634285      1.7166149404      0.2468829166
 C     -3.8436197226      0.6593196112     -0.1468359324
 C     -3.8554463514     -0.6190667096     -0.5797734385
 C     -3.3485317793     -1.6398380259     -0.9666178926
 C     -2.3304327540     -2.4790624646     -1.2571976380
 C     -1.2496625900     -3.0200827355     -1.5275943225
 C      0.1324114510     -3.1502038375     -1.5143081308
 C      1.3279377074     -2.9136963802     -1.2842187560
 C      2.5633365247     -2.3855210901     -0.9216685421
 C      3.4794890029     -1.7402914951     -0.4186232639
 C      4.0281981621     -0.7368468791      0.3167250313
 C      3.8655596490      0.3888383321      0.7275477540
 C      3.1921302377      1.4402428288      1.1934673895
 C      2.3445310607      2.3177945722      1.3542081708
18
# ORCA AIMD Position Step 405, t=405.00 fs, E_Pot=-685.23438669 Hartree, Unit is Angstrom
 C      1.1056965506      2.8246207926      1.3905570664
 C     -0.0890379782      3.1267730351      1.3284101816
 C     -1.4472686953      3.0975806765      1.1254845254
 C     -2.5147967632      2.6479128908      0.7791204573
 C     -3.4393077426      1.7202910073      0.2540242373
 C     -3.8433755888      0.6651067020     -0.1527197156
 C     -3.8565570297     -0.6147741771     -0.5860797774
 C     -3.3463760477     -1.6460271385     -0.9725639307
 C     -2.3338231851     -2.4757332311     -1.2567234987
 C     -1.2543445478     -3.0091355531     -1.5273454015
 C      0.1273354726     -3.1443417423     -1.5204363892
 C      1.3373015951     -2.9111954630     -1.2905365862
 C      2.5642287604     -2.3916802354     -0.9212905214
 C      3.4747149881     -1.7447027388     -0.4172725150
 C      4.0270453618     -0.7425740767      0.3144124867
 C      3.8662999186      0.3897529919      0.7315439807
 C      3.1980101288      1.4438695052      1.1904400167
 C      2.3455016502      2.3150745553      1.3559212327
18
# ORCA AIMD Position Step 406, t=406.00 fs, E_Pot=-685.23502629 Hartree, Unit is Angstrom
 C      1.1091625364      2.8185826372      1.3970851249
 C     -0.0880855055      3.1226538459      1.3360893217
 C     -1.4454500366      3.0922815884      1.1304485956
 C     -2.5201654189      2.6444977515      0.7783856572
 C     -3.4397045534      1.7260400964      0.2624075367
 C     -3.8436556970      0.6701703444     -0.1588844939
 C     -3.8576421983     -0.6103139015     -0.5924423318
 C     -3.3442721012     -1.6520542955     -0.9783758832
 C     -2.3359512818     -2.4735781958     -1.2569727611
 C     -1.2587792278     -2.9975811048     -1.5265904707
 C      0.1237477741     -3.1377834806     -1.5259413971
 C      1.3450577453     -2.9088252770     -1.2972502799
 C      2.5646147530     -2.3981245881     -0.9208591863
 C      3.4693788778     -1.7496303836     -0.4160759569
 C      4.0256140779     -0.7484073515      0.3115185267
 C      3.8673797523      0.3902765150      0.7357955133
 C      3.2032864042      1.4489698925      1.1876352411
 C      2.3471124998      2.3112829231      1.3574820835
18
# ORCA AIMD Position Step 407, t=407.00 fs, E_Pot=-685.23536634 Hartree, Unit is Angstrom
 C      1.1107811049      2.8134514616      1.4036798870
 C     -0.0863796961      3.1182495815      1.3437803563
 C     -1.4429414654      3.0867074392      1.1353879100
 C     -2.5263940762      2.6401770196      0.7770333246
 C     -3.4388531133      1.7333349898      0.2717495495
 C     -3.8443441204      0.6746994202     -0.1652285231
 C     -3.8584173018     -0.6061712989     -0.5990333056
 C     -3.3427775070     -1.6570721214     -0.9837493510
 C     -2.3370262865     -2.4725633519     -1.2579076879
 C     -1.2623624357     -2.9856980015     -1.5254577487
 C      0.1220906886     -3.1304413139     -1.5307254873
 C      1.3504535497     -2.9067558370     -1.3044754244
 C      2.5644334865     -2.4049200979     -0.9204708904
 C      3.4637386516     -1.7548792272     -0.4149003667
 C      4.0238288342     -0.7538167278      0.3082800160
 C      3.8688648673      0.3898823908      0.7400516544
 C      3.2081415347      1.4552928007      1.1850336196
 C      2.3492231091      2.3066170617      1.3589254548
18
# ORCA AIMD Position Step 408, t=408.00 fs, E_Pot=-685.23546935 Hartree, Unit is Angstrom
 C      1.1106446000      2.8092082380      1.4103361694
 C     -0.0840366057      3.1135442227      1.3514512481
 C     -1.4402306483      3.0806766430      1.1401443124
 C     -2.5326495265      2.6354356658      0.7754272297
 C     -3.4372125089      1.7413835620      0.2816403210
 C     -3.8452588544      0.6790686784     -0.1715688107
 C     -3.8586602187     -0.6026996927     -0.6059730134
 C     -3.3423172136     -1.6604327357     -0.9884591338
 C     -2.3373830839     -2.4725680002     -1.2594520193
 C     -1.2644299817     -2.9737869863     -1.5240926397
 C      0.1225305035     -3.1222779212     -1.5347445506
 C      1.3530324002     -2.9050924221     -1.3122705518
 C      2.5636344662     -2.4121232906     -0.9202125658
 C      3.4580159680     -1.7602819819     -0.4136301136
 C      4.0216296249     -0.7583482196      0.3049079044
 C      3.8707743587      0.3881815389      0.7441150788
 C      3.2128845719      1.4624418272      1.1825695561
 C      2.3515131818      2.3013998736      1.3603112926
18
# ORCA AIMD Position Step 409, t=409.00 fs, E_Pot=-685.23562102 Hartree, Unit is Angstrom
 C      1.1090667420      2.8057660038      1.4170546200
 C     -0.0813252725      3.1085565822      1.3590623878
 C     -1.4377980155      3.0740223385      1.1445646734
 C     -2.5380326349      2.6308190132      0.7739670372
 C     -3.4353464535      1.7492511966      0.2915906762
 C     -3.8461929931      0.6837158727     -0.1776854783
 C     -3.8582339779     -0.6000628714     -0.6133095916
 C     -3.3431451268     -1.6617429532     -0.9923770727
 C     -2.3374170134     -2.4734161418     -1.2615083141
 C     -1.2643637409     -2.9621272106     -1.5226367832
 C      0.1249791524     -3.1133062413     -1.5380056720
 C      1.3526456407     -2.9038757077     -1.3206355868
 C      2.5621982280     -2.4197617553     -0.9201465517
 C      3.4523667041     -1.7657241080     -0.4121859414
 C      4.0189776306     -0.7616672696      0.3015693370
 C      3.8730812785      0.3849599805      0.7478553780
 C      3.2178960706      1.4699357582      1.1801459160
 C      2.3535559613      2.2960184015      1.3617150910
18
# ORCA AIMD Position Step 410, t=410.00 fs, E_Pot=-685.23625306 Hartree, Unit is Angstrom
 C      1.1065165655      2.8029893315      1.4238382371
 C     -0.0786381498      3.1033371964      1.3665678974
 C     -1.4360243916      3.0666261395      1.1485275066
 C     -2.5417070601      2.6268594493      0.7730363404
 C     -3.4338438472      1.7560072159      0.3010984606
 C     -3.8469538198      0.6890279590     -0.1833665583
 C     -3.8570996037     -0.5982094306     -0.6210109330
 C     -3.3453192523     -1.6608930940     -0.9954769043
 C     -2.3375042325     -2.4749111528     -1.2639787449
 C     -1.2617038955     -2.9509345301     -1.5212050843
 C      0.1291058831     -3.1035902203     -1.5405664617
 C      1.3494762968     -2.9030796290     -1.3295034741
 C      2.5601403415     -2.4278219573     -0.9203056551
 C      3.4468638182     -1.7711535519     -0.4105329097
 C      4.0158563365     -0.7636007136      0.2983673680
 C      3.8757187089      0.3802024181      0.7512183069
 C      3.2235591976      1.4772797159      1.1776528988
 C      2.3549091637      2.2908540087      1.3632151828
18
# ORCA AIMD Position Step 411, t=411.00 fs, E_Pot=-685.23768229 Hartree, Unit is Angstrom
 C      1.1035244738      2.8007253686      1.4306882506
 C     -0.0764235569      3.0979578082      1.3739185488
 C     -1.4351408228      3.0584392541      1.1519599559
 C     -2.5430106736      2.6240070515      0.7729546890
 C     -3.4332387535      1.7608502625      0.3097086549
 C     -3.8473900318      0.6952607884     -0.1884421296
 C     -3.8553136291     -0.5968829449     -0.6289678161
 C     -3.3487196767     -1.6580337719     -0.9978234199
 C     -2.3379061633     -2.4768841323     -1.2667866024
 C     -1.2562522982     -2.9403274085     -1.5198672427
 C      0.1343605339     -3.0932454486     -1.5425307688
 C      1.3440296676     -2.9026207469     -1.3387427080
 C      2.5575194632     -2.4362421727     -0.9206887397
 C      3.4415025437     -1.7765761329     -0.4086821077
 C      4.0122703512     -0.7641470052      0.2953362106
 C      3.8785905073      0.3740822043      0.7542204642
 C      3.2301723016      1.4840506063      1.1749952475
 C      2.3552251351      2.2862006794      1.3648731072
18
# ORCA AIMD Position Step 412, t=412.00 fs, E_Pot=-685.23978530 Hartree, Unit is Angstrom
 C      1.1005946068      2.7988286237      1.4376010800
 C     -0.0751185865      3.0924996101      1.3810662545
 C     -1.4351887013      3.0494953407      1.1548503943
 C     -2.5415736969      2.6225460280      0.7739251801
 C     -3.4339159904      1.7632348250      0.3170790228
 C     -3.8474114285      0.7024886522     -0.1928108533
 C     -3.8530213994     -0.5956477328     -0.6370042868
 C     -3.3530697031     -1.6535475723     -0.9995594215
 C     -2.3387062617     -2.4792202868     -1.2698898959
 C     -1.2481363963     -2.9303108817     -1.5186370814
 C      0.1399927093     -3.0824362942     -1.5440444315
 C      1.3371221446     -2.9023668522     -1.3481608420
 C      2.5544291717     -2.4449171389     -0.9212663975
 C      3.4362171074     -1.7820380160     -0.4066808548
 C      4.0082412289     -0.7634892649      0.2924334339
 C      3.8815815723      0.3669504285      0.7569458306
 C      3.2378768142      1.4899662808      1.1721141509
 C      2.3543391832      2.2822021047      1.3667176537
18
# ORCA AIMD Position Step 413, t=413.00 fs, E_Pot=-685.24193212 Hartree, Unit is Angstrom
 C      1.0981210520      2.7971835874      1.4445677123
 C     -0.0750727184      3.0870368437      1.3879715689
 C     -1.4359982906      3.0399140214      1.1572584015
 C     -2.5374111926      2.6225279750      0.7759937233
 C     -3.4360339529      1.7629688515      0.3230360050
 C     -3.8470012972      0.7105816092     -0.1964596556
 C     -3.8504373014     -0.5939403284     -0.6448997125
 C     -3.3579761239     -1.6479939639     -1.0008866165
 C     -2.3397942139     -2.4818656488     -1.2732829842
 C     -1.2378127599     -2.9207815143     -1.5174751395
 C      0.1451161582     -3.0713610640     -1.5452836809
 C      1.3298117026     -2.9021559158     -1.3575242911
 C      2.5509866020     -2.4537117906     -0.9219899739
 C      3.4309067903     -1.7876027601     -0.4045955640
 C      4.0038002046     -0.7619833896      0.2895410769
 C      3.8845694642      0.3593013930      0.7595356241
 C      3.2466175072      1.4949242338      1.1690008421
 C      2.3523180483      2.2788201568      1.3687353688
18
# ORCA AIMD Position Step 414, t=414.00 fs, E_Pot=-685.24329864 Hartree, Unit is Angstrom
 C      1.0963261758      2.7957181087      1.4515751234
 C     -0.0764801637      3.0816198796      1.3946121201
 C     -1.4371866484      3.0298953075      1.1593179274
 C     -2.5309619939      2.6237453706      0.7790340797
 C     -3.4394868624      1.7602573898      0.3276054487
 C     -3.8462231727      0.7192074530     -0.1994762175
 C     -3.8478108416     -0.5911473406     -0.6524231441
 C     -3.3629838655     -1.6420283518     -1.0020373332
 C     -2.3409077966     -2.4848091799     -1.2769862462
 C     -1.2260066231     -2.9115548828     -1.5163028750
 C      0.1488327361     -3.0602265414     -1.5464359791
 C      1.3232577905     -2.9018243573     -1.3665913464
 C      2.5473191823     -2.4624820041     -0.9228026393
 C      3.4254637013     -1.7933280125     -0.4024927453
 C      3.9989777155     -0.7601167172      0.2864817978
 C      3.8874374174      0.3517164320      0.7621696511
 C      3.2561519552      1.4989985850      1.1656971247
 C      2.3494512234      2.2758480262      1.3708714800
18
# ORCA AIMD Position Step 415, t=415.00 fs, E_Pot=-685.24339539 Hartree, Unit is Angstrom
 C      1.0952357237      2.7944084397      1.4586077633
 C     -0.0793380903      3.0762639756      1.4009875692
 C     -1.4381838632      3.0197046154      1.1612330016
 C     -2.5230511834      2.6257613981      0.7827639586
 C     -3.4439259694      1.7556785303      0.3310084792
 C     -3.8452192229      0.7278540103     -0.2020495147
 C     -3.8453799261     -0.5867094347     -0.6593722750
 C     -3.3676385031     -1.6362960443     -1.0032391740
 C     -2.3417143400     -2.4880504855     -1.2810288624
 C     -1.2136085395     -2.9024074500     -1.5150256726
 C      0.1504069811     -3.0492174249     -1.5476710020
 C      1.3185244634     -2.9012406201     -1.3751529564
 C      2.5435549277     -2.4710920241     -0.9236479703
 C      3.4197977778     -1.7992486383     -0.4004253739
 C      3.9937967401     -0.7584344908      0.2830479555
 C      3.8900861789      0.3447843270      0.7650381667
 C      3.2661034451      1.5023939643      1.1622855449
 C      2.3461861945      2.2729662594      1.3730405908
18
# ORCA AIMD Position Step 416, t=416.00 fs, E_Pot=-685.24238494 Hartree, Unit is Angstrom
 C      1.0947035398      2.7932709178      1.4656470246
 C     -0.0834390444      3.0709475202      1.4071218126
 C     -1.4383054500      3.0096451431      1.1632557990
 C     -2.5147730111      2.6279894605      0.7867954680
 C     -3.4488261563      1.7500956925      0.3336219857
 C     -3.8441984177      0.7358787378     -0.2044539740
 C     -3.8433181783     -0.5802402379     -0.6656153746
 C     -3.3715483265     -1.6313180272     -1.0046768311
 C     -2.3419115752     -2.4915630425     -1.2854293217
 C     -1.2015575558     -2.8931208436     -1.5135551558
 C      0.1494698134     -3.0384686089     -1.5491111087
 C      1.3163547569     -2.9003368926     -1.3830712220
 C      2.5398138922     -2.4794292500     -0.9244793944
 C      3.4138591507     -1.8053634650     -0.3984192351
 C      3.9882648030     -0.7574413577      0.2790428267
 C      3.8924410717      0.3390064079      0.7683036539
 C      3.2760390403      1.5053776553      1.1588713939
 C      2.3430305620      2.2698201879      1.3751460552
18
# ORCA AIMD Position Step 417, t=417.00 fs, E_Pot=-685.24093919 Hartree, Unit is Angstrom
 C      1.0944707186      2.7923432670      1.4726737838
 C     -0.0884083114      3.0656227216      1.4130578546
 C     -1.4368730680      3.0000124956      1.1656462596
 C     -2.5072957959      2.6298105220      0.7907103371
 C     -3.4535940527      1.7445018889      0.3359078301
 C     -3.8434041164      0.7426084465     -0.2070094871
 C     -3.8416994254     -0.5716217510     -0.6711168532
 C     -3.3744350350     -1.6273984417     -1.0064642999
 C     -2.3412927478     -2.4952771402     -1.2901838694
 C     -1.1907474162     -2.8835129221     -1.5118259961
 C      0.1461485228     -3.0280560215     -1.5508128902
 C      1.3170120191     -2.8991230172     -1.3903041185
 C      2.5362129370     -2.4874092590     -0.9252586561
 C      3.4076409495     -1.8116367074     -0.3964764669
 C      3.9823744006     -0.7575032129      0.2743317345
 C      3.8944599142      0.3347124094      0.7720602148
 C      3.2855382202      1.5082184818      1.1555674688
 C      2.3404609222      2.2660879264      1.3770949105
18
# ORCA AIMD Position Step 418, t=418.00 fs, E_Pot=-685.23979477 Hartree, Unit is Angstrom
 C      1.0942487802      2.7916619949      1.4796664742
 C     -0.0937467646      3.0602293636      1.4188547146
 C     -1.4333866827      2.9910424277      1.1686149843
 C     -2.5016405024      2.6306879892      0.7941434770
 C     -3.4576762125      1.7398413436      0.3383218405
 C     -3.8430687121      0.7474643102     -0.2100171137
 C     -3.8404790360     -0.5610595724     -0.6759500779
 C     -3.3761540733     -1.6245775847     -1.0086318001
 C     -2.3398058707     -2.4990644987     -1.2952566507
 C     -1.1819479290     -2.8734598443     -1.5098044095
 C      0.1410851761     -3.0180048791     -1.5527683168
 C      1.3202398967     -2.8976805832     -1.3969042648
 C      2.5328672540     -2.4949747559     -0.9259561277
 C      3.4011805685     -1.8180019903     -0.3945776357
 C      3.9761064927     -0.7587761764      0.2688776975
 C      3.8961325099      0.3320044560      0.7763070068
 C      3.2942484319      1.5111361593      1.1524766361
 C      2.3388392333      2.2615370980      1.3788126047
18
# ORCA AIMD Position Step 419, t=419.00 fs, E_Pot=-685.23927454 Hartree, Unit is Angstrom
 C      1.0938121402      2.7912370879      1.4865988616
 C     -0.0988865394      3.0547116922      1.4245822856
 C     -1.4277081361      2.9828587924      1.1722596459
 C     -2.4984709031      2.6302582792      0.7968595767
 C     -3.4606461985      1.7368431215      0.3412213245
 C     -3.8433647954      0.7501032324     -0.2136807352
 C     -3.8395003854     -0.5490877580     -0.6802918265
 C     -3.3766832432     -1.6226472820     -1.0111317888
 C     -2.3376064183     -2.5027217650     -1.3005705517
 C     -1.1757120990     -2.8629177490     -1.5074960076
 C      0.1353115410     -3.0083081093     -1.5549212254
 C      1.3253450763     -2.8961421088     -1.4029965243
 C      2.5298803759     -2.5021005849     -0.9265571718
 C      3.3945691788     -1.8243566746     -0.3926760820
 C      3.9694351529     -0.7611725044      0.2627590606
 C      3.8974734547      0.3307357687      0.7809320901
 C      3.3019317495      1.5142597016      1.1496780652
 C      2.3383412628      2.2560711268      1.3802583374
18
# ORCA AIMD Position Step 420, t=420.00 fs, E_Pot=-685.23908296 Hartree, Unit is Angstrom
 C      1.0930652134      2.7910349159      1.4934405609
 C     -0.1032557711      3.0490333750      1.4303144554
 C     -1.4201703768      2.9754467082      1.1765262851
 C     -2.4979578293      2.6283808836      0.7988000441
 C     -3.4622709769      1.7358819140      0.3447847869
 C     -3.8443607107      0.7505404099     -0.2180337576
 C     -3.8385332036     -0.5364979013     -0.6843950929
 C     -3.3760920933     -1.6212247213     -1.0138631280
 C     -2.3350572188     -2.5059797925     -1.3060106361
 C     -1.1723053010     -2.8519284549     -1.5049464480
 C      0.1300071425     -2.9989468163     -1.5571943496
 C      1.3313864327     -2.8946593507     -1.4087421295
 C      2.5273426236     -2.5087908671     -0.9270620280
 C      3.3879397974     -1.8305725314     -0.3907055373
 C      3.9623388186     -0.7643846949      0.2561650923
 C      3.8985125927      0.3305483489      0.7857243626
 C      3.3084804960      1.5176132021      1.1472192745
 C      2.3389349247      2.2497408941      1.3814303518
18
# ORCA AIMD Position Step 421, t=421.00 fs, E_Pot=-685.23854929 Hartree, Unit is Angstrom
 C      1.0920780571      2.7909718310      1.5001606522
 C     -0.1063436676      3.0431837081      1.4361236076
 C     -1.4115492855      2.9686626527      1.1812166735
 C     -2.4997768537      2.6251334970      0.8000834397
 C     -3.4625375026      1.7369221261      0.3489755387
 C     -3.8460020639      0.7491888105     -0.2229094022
 C     -3.8373205343     -0.5242190847     -0.6885508825
 C     -3.3745043486     -1.6198524564     -1.0167049690
 C     -2.3327016797     -2.5085230222     -1.3114326165
 C     -1.1716452695     -2.8406138725     -1.5022383153
 C      0.1262309266     -2.9899008705     -1.5595123430
 C      1.3373868161     -2.8933753326     -1.4143063341
 C      2.5253266294     -2.5150761856     -0.9274848196
 C      3.3814489686     -1.8365113719     -0.3885890424
 C      3.9548092203     -0.7679526023      0.2493651075
 C      3.8992835785      0.3309504358      0.7904079941
 C      3.3139194864      1.5211168610      1.1451123535
 C      2.3403897849      2.2427336715      1.3823664470
18
# ORCA AIMD Position Step 422, t=422.00 fs, E_Pot=-685.23720003 Hartree, Unit is Angstrom
 C      1.0910843142      2.7909204674      1.5067340586
 C     -0.1077650048      3.0371765926      1.4420748803
 C     -1.4028986656      2.9622792468      1.1860407393
 C     -2.5032323621      2.6207609835      0.8009618984
 C     -3.4616329004      1.7395646205      0.3535629070
 C     -3.8481302172      0.7467892392     -0.2279694610
 C     -3.8356232411     -0.5131804929     -0.6930483004
 C     -3.3720616554     -1.6180937645     -1.0195475194
 C     -2.3312032067     -2.5100209201     -1.3166805476
 C     -1.1732952504     -2.8291566946     -1.4994825434
 C      0.1247112204     -2.9811476830     -1.5618170399
 C      1.3425127884     -2.8924041463     -1.4198324131
 C      2.5238829299     -2.5210098036     -0.9278520827
 C      3.3752534137     -1.8420441461     -0.3862495950
 C      3.9468536691     -0.7713494331      0.2426642571
 C      3.8998138226      0.3314093364      0.7946849772
 C      3.3183917807      1.5246028358      1.1433359281
 C      2.3423221863      2.2353375834      1.3831391776
18
# ORCA AIMD Position Step 423, t=423.00 fs, E_Pot=-685.23522886 Hartree, Unit is Angstrom
 C      1.0904458917      2.7907247399      1.5131463249
 C     -0.1073134993      3.0310427875      1.4482199661
 C     -1.3953185888      2.9560437595      1.1906875254
 C     -2.5074427529      2.6156038001      0.8017582321
 C     -3.4598894241      1.7431689092      0.3581844921
 C     -3.8505275002      0.7442551319     -0.2327781632
 C     -3.8332525093     -0.5041840419     -0.6981396065
 C     -3.3688992394     -1.6155998673     -1.0223123134
 C     -2.3312490911     -2.5101665020     -1.3216080187
 C     -1.1765363108     -2.8177703365     -1.4968048163
 C      0.1257403307     -2.9726583813     -1.5640740483
 C      1.3461916835     -2.8918204504     -1.4254241841
 C      2.5230381046     -2.5266599405     -0.9282000170
 C      3.3694857998     -1.8470712951     -0.3836221586
 C      3.9384945562     -0.7740655663      0.2363620881
 C      3.9001193288      0.3314373754      0.7982790442
 C      3.3221223660      1.5278469158      1.1418417112
 C      2.3442687903      2.2278913312      1.3838427739
18
# ORCA AIMD Position Step 424, t=424.00 fs, E_Pot=-685.23348957 Hartree, Unit is Angstrom
 C      1.0905929591      2.7902205129      1.5193947563
 C     -0.1049921417      3.0248225300      1.4545881933
 C     -1.3897446295      2.9497291371      1.1948887579
 C     -2.5115119677      2.6100337629      0.8028065279
 C     -3.4577204899      1.7469953928      0.3624230399
 C     -3.8529647183      0.7424887362     -0.2368934716
 C     -3.8300904166     -0.4978027873     -0.7040068825
 C     -3.3651354386     -1.6121424938     -1.0249567648
 C     -2.3334257740     -2.5087201595     -1.3261016453
 C     -1.1805153119     -2.8066639358     -1.4943299030
 C      0.1291712642     -2.9643989051     -1.5662742648
 C      1.3481663538     -2.8916573476     -1.4311344417
 C      2.5227952829     -2.5320992355     -0.9285705049
 C      3.3642381215     -1.8515325990     -0.3806656581
 C      3.9297672023     -0.7756723737      0.2307214626
 C      3.9002018508      0.3306536650      0.8009620614
 C      3.3253666330      1.5306065895      1.1405698094
 C      2.3457751685      2.2207279662      1.3845776130
18
# ORCA AIMD Position Step 425, t=425.00 fs, E_Pot=-685.23292778 Hartree, Unit is Angstrom
 C      1.0919508124      2.7892596392      1.5254817792
 C     -0.1010142646      3.0185597574      1.4611772901
 C     -1.3868047931      2.9431716532      1.1984599824
 C     -2.5146535643      2.6044060175      0.8044062728
 C     -3.4555595754      1.7503265985      0.3658731831
 C     -3.8552359680      0.7422192328     -0.2399466994
 C     -3.8261004052     -0.4943093720     -0.7107344322
 C     -3.3608772832     -1.6076218748     -1.0274808200
 C     -2.3380847643     -2.5055558193     -1.3300973424
 C     -1.1844330508     -2.7960085746     -1.4921569001
 C      0.1344778041     -2.9563389574     -1.5684307978
 C      1.3485058044     -2.8919095855     -1.4369590379
 C      2.5231402250     -2.5373899514     -0.9290065872
 C      3.3595557629     -1.8554115611     -0.3773686433
 C      3.9207232481     -0.7758678240      0.2259420256
 C      3.9000477700      0.3288245205      0.8025804407
 C      3.3283541808      1.5326636796      1.1394617867
 C      2.3464784343      2.2141231117      1.3854342949
18
# ORCA AIMD Position Step 426, t=426.00 fs, E_Pot=-685.23395843 Hartree, Unit is Angstrom
 C      1.0948585024      2.7877314754      1.5314066778
 C     -0.0957729592      3.0123006109      1.4679448499
 C     -1.3867425156      2.9362936146      1.2013191820
 C     -2.5162790626      2.5990245413      0.8067875214
 C     -3.4538045996      1.7525616469      0.3681918264
 C     -3.8571810316      0.7438858343     -0.2416984968
 C     -3.8213423214     -0.4936248212     -0.7182813397
 C     -3.3562269661     -1.6020694932     -1.0299109066
 C     -2.3452187735     -2.5007007576     -1.3335927413
 C     -1.1877173814     -2.7859190981     -1.4903518323
 C      0.1408408595     -2.9484664157     -1.5705755188
 C      1.3475820895     -2.8925413388     -1.4428321826
 C      2.5240450506     -2.5425700721     -0.9295464748
 C      3.3554411101     -1.8587271394     -0.3737583983
 C      3.9114344986     -0.7745106738      0.2221510699
 C      3.8996336124      0.3258900763      0.8030612213
 C      3.3312343371      1.5338570219      1.1384796161
 C      2.3461806081      2.2082598270      1.3864751326
18
# ORCA AIMD Position Step 427, t=427.00 fs, E_Pot=-685.23606843 Hartree, Unit is Angstrom
 C      1.0994893534      2.7855840898      1.5371607527
 C     -0.0897756992      3.0060881606      1.4748110959
 C     -1.3893889007      2.9291128973      1.2034950303
 C     -2.5160721186      2.5941038913      0.8100798018
 C     -3.4527613057      1.7532959087      0.3691441178
 C     -3.8586990055      0.7475706934     -0.2420755827
 C     -3.8159820036     -0.4952935806     -0.7264694706
 C     -3.3512856340     -1.5956485670     -1.0322983438
 C     -2.3544013013     -2.4943585192     -1.3366516694
 C     -1.1901313184     -2.7764398829     -1.4889377361
 C      0.1472605154     -2.9407911187     -1.5727529642
 C      1.3460074725     -2.8934957206     -1.4486367890
 C      2.5254724652     -2.5476467954     -0.9302188675
 C      3.3518614409     -1.8615247207     -0.3698975544
 C      3.9019910800     -0.7716531817      0.2193847472
 C      3.8989297364      0.3219827205      0.8024278509
 C      3.3340436216      1.5341091657      1.1376136110
 C      2.3448970218      2.2032005311      1.3877224068
18
# ORCA AIMD Position Step 428, t=428.00 fs, E_Pot=-685.23803426 Hartree, Unit is Angstrom
 C      1.1057945553      2.7828356353      1.5427327390
 C     -0.0835469533      2.9999495841      1.4816771470
 C     -1.3941841307      2.9217346884      1.2051285439
 C     -2.5140480827      2.5897259560      0.8142889492
 C     -3.4525881145      1.7523895705      0.3686471199
 C     -3.8597609315      0.7529929146     -0.2411869570
 C     -3.8102857902     -0.4985134764     -0.7350036723
 C     -3.3461461766     -1.5886405144     -1.0347176090
 C     -2.3648318783     -2.4868943123     -1.3393985985
 C     -1.1917842788     -2.7675378371     -1.4878972132
 C      0.1527081953     -2.9333329629     -1.5750128543
 C      1.3445166144     -2.8947087483     -1.4542320135
 C      2.5273820934     -2.5526023733     -0.9310396294
 C      3.3487562777     -1.8638662191     -0.3658720433
 C      3.8924835507     -0.7675574795      0.2175714692
 C      3.8979046924      0.3174267440      0.8008074191
 C      3.3367054873      1.5334336001      1.1368839635
 C      2.3428638608      2.1988759431      1.3891559928
18
# ORCA AIMD Position Step 429, t=429.00 fs, E_Pot=-685.23857934 Hartree, Unit is Angstrom
 C      1.1134920525      2.7795727349      1.5481164865
 C     -0.0775277018      2.9938845079      1.4884477212
 C     -1.4002519167      2.9143332910      1.2064609113
 C     -2.5105725081      2.5858133597      0.8192905844
 C     -3.4532604513      1.7500050595      0.3667953026
 C     -3.8604192275      0.7595622748     -0.2393118806
 C     -3.8045959050     -0.5022384055     -0.7435182375
 C     -3.3408816556     -1.5814123965     -1.0372626688
 C     -2.3754829109     -2.4787799940     -1.3420013955
 C     -1.1930462868     -2.7591146330     -1.4871850713
 C      0.1563022196     -2.9261067018     -1.5773997464
 C      1.3438016095     -2.8961241227     -1.4594871672
 C      2.5297380013     -2.5574052213     -0.9320113781
 C      3.3460485856     -1.8658187894     -0.3617732569
 C      3.8829831292     -0.7626783470      0.2165311605
 C      3.8965295826      0.3127104477      0.7984223125
 C      3.3390599626      1.5319188881      1.1363336509
 C      2.3404972806      2.1951017127      1.3907214224
18
# ORCA AIMD Position Step 430, t=430.00 fs, E_Pot=-685.23711055 Hartree, Unit is Angstrom
 C      1.1221022343      2.7759368484      1.5533158156
 C     -0.0720125773      2.9878627192      1.4950462531
 C     -1.4065094979      2.9071307142      1.2078083621
 C     -2.5063153207      2.5821393208      0.8248475327
 C     -3.4545729100      1.7465946991      0.3638547999
 C     -3.8608075229      0.7664655252     -0.2368660169
 C     -3.7992911553     -0.5053272812     -0.7516318860
 C     -3.3355461298     -1.5743605369     -1.0400345711
 C     -2.3852817116     -2.4705243749     -1.3446463342
 C     -1.1944056502     -2.7510377750     -1.4867474636
 C      0.1574621666     -2.9191137235     -1.5799399691
 C      1.3443411062     -2.8977040437     -1.4643108914
 C      2.5325155983     -2.5620198306     -0.9331257205
 C      3.3436590918     -1.8674432713     -0.3576844554
 C      3.8735309978     -0.7576079450      0.2159993154
 C      3.8947813016      0.3084307054      0.7955625933
 C      3.3409112341      1.5296936968      1.1360169057
 C      2.3383177665      2.1916211599      1.3923448062
18
# ORCA AIMD Position Step 431, t=431.00 fs, E_Pot=-685.23413026 Hartree, Unit is Angstrom
 C      1.1310154227      2.7721031925      1.5583455879
 C     -0.0671368576      2.9818282798      1.5014213974
 C     -1.4118024761      2.9003668353      1.2095241737
 C     -2.5021291411      2.5783798400      0.8306546446
 C     -3.4561872554      1.7428268562      0.3602257925
 C     -3.8611273412      0.7727756154     -0.2343515631
 C     -3.7947364560     -0.5067076259     -0.7590026205
 C     -3.3301950257     -1.5678315230     -1.0431228591
 C     -2.3932687981     -2.4626110044     -1.3475137547
 C     -1.1963248351     -2.7431747657     -1.4865405232
 C      0.1560011825     -2.9123413197     -1.5826328165
 C      1.3462789239     -2.8994318830     -1.4686678610
 C      2.5357058882     -2.5664144159     -0.9343665130
 C      3.3415152536     -1.8687928270     -0.3536736913
 C      3.8641395001     -0.7529858185      0.2156737727
 C      3.8926466389      0.3052078166      0.7925419453
 C      3.3420759315      1.5268923443      1.1359870072
 C      2.3368646721      2.1881573692      1.3939503360
18
# ORCA AIMD Position Step 432, t=432.00 fs, E_Pot=-685.23108222 Hartree, Unit is Angstrom
 C      1.1395940537      2.7682491267      1.5632302331
 C     -0.0629017162      2.9757102572      1.5075472535
 C     -1.4150705744      2.8942579991      1.2119468232
 C     -2.4988795849      2.5741846827      0.8364015800
 C     -3.4576985800      1.7394738228      0.3563758565
 C     -3.8616192238      0.7775772767     -0.2322894575
 C     -3.7912239851     -0.5055395679     -0.7653748959
 C     -3.3249073402     -1.5620388188     -1.0465868714
 C     -2.3987300781     -2.4554346182     -1.3507546696
 C     -1.1991253872     -2.7354248308     -1.4865444741
 C      0.1521391538     -2.9057657122     -1.5854480231
 C      1.3493978622     -2.9013058729     -1.4725760900
 C      2.5392978863     -2.5705733857     -0.9357226697
 C      3.3395608089     -1.8699094942     -0.3497894349
 C      3.8547993416     -0.7493940167      0.2152726244
 C      3.8901228618      0.3035879636      0.7896422041
 C      3.3424263114      1.5236218401      1.1362864952
 C      2.3366022717      2.1844711970      1.3954786638
18
# ORCA AIMD Position Step 433, t=433.00 fs, E_Pot=-685.22956876 Hartree, Unit is Angstrom
 C      1.1472562285      2.7645297409      1.5679969324
 C     -0.0592211350      2.9694375866      1.5134156879
 C     -1.4155216838      2.8889542613      1.2153374418
 C     -2.4972330092      2.5692717680      0.8418473505
 C     -3.4587328278      1.7372494729      0.3527425045
 C     -3.8625140684      0.7801114349     -0.2311308340
 C     -3.7889282133     -0.5013384216     -0.7706074929
 C     -3.3198166276     -1.5569967157     -1.0504367976
 C     -2.4012582140     -2.4492675884     -1.3544756467
 C     -1.2029172365     -2.7277450986     -1.4867704127
 C      0.1464237891     -2.8993642353     -1.5883294056
 C      1.3531788991     -2.9033291198     -1.4760916009
 C      2.5432728651     -2.5744959899     -0.9371915693
 C      3.3377516585     -1.8708346347     -0.3460705160
 C      3.8455016303     -0.7472518228      0.2145937299
 C      3.8872223494      0.3039394273      0.7870614782
 C      3.3419166744      1.5199498118      1.1369393271
 C      2.3378465486      2.1804106923      1.3969023267
18
# ORCA AIMD Position Step 434, t=434.00 fs, E_Pot=-685.23029778 Hartree, Unit is Angstrom
 C      1.1535481727      2.7610581186      1.5726605634
 C     -0.0559780925      2.9629630126      1.5190192354
 C     -1.4127918543      2.8845072014      1.2198173959
 C     -2.4974751293      2.5635107319      0.8468759406
 C     -3.4590309607      1.7366535128      0.3496439637
 C     -3.8639756041      0.7799246524     -0.2311680675
 C     -3.7878794287     -0.4940610833     -0.7746833723
 C     -3.3151298966     -1.5525067742     -1.0546201588
 C     -2.4007997792     -2.4442383602     -1.3587179079
 C     -1.2075414101     -2.7201802439     -1.4872635581
 C      0.1396141029     -2.8931346460     -1.5911992850
 C      1.3569187020     -2.9054944505     -1.4792785740
 C      2.5475768925     -2.5781952944     -0.9387857438
 C      3.3360590249     -1.8716136655     -0.3425580090
 C      3.8362714857     -0.7467282360      0.2135673496
 C      3.8839788842      0.3063648193      0.7848728639
 C      3.3406015782      1.5159031948      1.1379457771
 C      2.3407002331      2.1759586634      1.3982336027
18
# ORCA AIMD Position Step 435, t=435.00 fs, E_Pot=-685.23246805 Hartree, Unit is Angstrom
 C      1.1582081222      2.7578903637      1.5772132805
 C     -0.0530692925      2.9562818159      1.5243410440
 C     -1.4070433727      2.8808505246      1.2253278273
 C     -2.4994051226      2.5569748347      0.8515252569
 C     -3.4585204912      1.7378380259      0.3472053946
 C     -3.8660476333      0.7770081248     -0.2324535727
 C     -3.7879606595     -0.4841334030     -0.7777113128
 C     -3.3111086318     -1.5482011912     -1.0590257308
 C     -2.3976950543     -2.4403121510     -1.3634410069
 C     -1.2125414259     -2.7128764539     -1.4880992540
 C      0.1325524704     -2.8871055283     -1.5939664696
 C      1.3598725007     -2.9077703755     -1.4821854133
 C      2.5520979416     -2.5816980307     -0.9405363680
 C      3.3344666581     -1.8723027314     -0.3393026448
 C      3.8271916892     -0.7476938917      0.2122807082
 C      3.8804541766      0.3106433789      0.7830055740
 C      3.3386454458      1.5114795754      1.1392781765
 C      2.3450044366      2.1712615592      1.3995305059
18
# ORCA AIMD Position Step 436, t=436.00 fs, E_Pot=-685.23427520 Hartree, Unit is Angstrom
 C      1.1612193831      2.7550096663      1.5816330529
 C     -0.0504279967      2.9494225817      1.5293663139
 C     -1.3989239714      2.8778015290      1.2316505761
 C     -2.5023733377      2.5499187558      0.8559836789
 C     -3.4573359270      1.7405638274      0.3453278239
 C     -3.8686397296      0.7718524415     -0.2347696608
 C     -3.7889341483     -0.4723704094     -0.7799214287
 C     -3.3080061985     -1.5436311802     -1.0635173046
 C     -2.3926691177     -2.4372740872     -1.3685308922
 C     -1.2172012084     -2.7060536837     -1.4893747355
 C      0.1260242111     -2.8813220020     -1.5965440587
 C      1.3614030905     -2.9101016911     -1.4848338096
 C      2.5566656854     -2.5850522147     -0.9424978025
 C      3.3329608629     -1.8729737525     -0.3363604477
 C      3.8183840072     -0.7497412876      0.2109584661
 C      3.8767332893      0.3162497502      0.7812556855
 C      3.3363066362      1.5066549175      1.1408854288
 C      2.3503449973      2.1666160716      1.4008979797
18
# ORCA AIMD Position Step 437, t=437.00 fs, E_Pot=-685.23424542 Hartree, Unit is Angstrom
 C      1.1628051624      2.7523282734      1.5858976613
 C     -0.0480323133      2.9424284518      1.5340950521
 C     -1.3893816274      2.8750996908      1.2384800894
 C     -2.5054606288      2.5426967539      0.8605413351
 C     -3.4557702075      1.7442914645      0.3437328900
 C     -3.8715626201      0.7653588800     -0.2376784280
 C     -3.7905018000     -0.4598097452     -0.7816374305
 C     -3.3060020801     -1.5383757223     -1.0679775737
 C     -2.3867227374     -2.4347550162     -1.3738283980
 C     -1.2206573404     -2.6999570968     -1.4911971253
 C      0.1206454924     -2.8758267043     -1.5988667883
 C      1.3610909229     -2.9124173900     -1.4872149492
 C      2.5610691491     -2.5883298393     -0.9447476481
 C      3.3315209109     -1.8737133750     -0.3337853516
 C      3.8099765524     -0.7522880357      0.2099042552
 C      3.8729143414      0.3224590169      0.7793296631
 C      3.3338935314      1.5013953371      1.1427078109
 C      2.3561274869      2.1624168841      1.4024782865
18
# ORCA AIMD Position Step 438, t=438.00 fs, E_Pot=-685.23229307 Hartree, Unit is Angstrom
 C      1.1633629403      2.7497101680      1.5899916878
 C     -0.0459010552      2.9353436315      1.5385451533
 C     -1.3794447342      2.8724634697      1.2454988240
 C     -2.5077011221      2.5356691536      0.8655177198
 C     -3.4541827000      1.7483509848      0.3420584723
 C     -3.8745882537      0.7586595531     -0.2406203894
 C     -3.7923712999     -0.4475344007     -0.7832315092
 C     -3.3051667250     -1.5321302738     -1.0723364931
 C     -2.3809456053     -2.4323003243     -1.3791635171
 C     -1.2220621576     -2.6948102269     -1.4936674872
 C      0.1168147782     -2.8706531952     -1.6008988118
 C      1.3587786174     -2.9146400469     -1.4892888909
 C      2.5650791770     -2.5916169425     -0.9473785917
 C      3.3301157056     -1.8746145541     -0.3316282244
 C      3.8020812473     -0.7547172820      0.2094284901
 C      3.8691006678      0.3284825169      0.7769061601
 C      3.3317017602      1.4956853605      1.1446957400
 C      2.3616949026      2.1590850420      1.4044307323
18
# ORCA AIMD Position Step 439, t=439.00 fs, E_Pot=-685.22970179 Hartree, Unit is Angstrom
 C      1.1633673443      2.7470037749      1.5939099791
 C     -0.0440765197      2.9282069344      1.5427503878
 C     -1.3700534198      2.8696361894      1.2524332479
 C     -2.5082593167      2.5291295096      0.8711961185
 C     -3.4529036081      1.7521097655      0.3399574963
 C     -3.8775061359      0.7529204559     -0.2430220944
 C     -3.7943076911     -0.4365239721     -0.7850745066
 C     -3.3054612865     -1.5247498385     -1.0765808624
 C     -2.3762918339     -2.4294594981     -1.3843879197
 C     -1.2207738897     -2.6907705929     -1.4968640928
 C      0.1147161803     -2.8658264180     -1.6026353271
 C      1.3545654308     -2.9166942097     -1.4909885882
 C      2.5684707636     -2.5949973589     -0.9504843351
 C      3.3287020940     -1.8757691155     -0.3299376733
 C      3.7947819429     -0.7565028340      0.2097887503
 C      3.8653973481      0.3335898837      0.7736910015
 C      3.3299479081      1.4895622610      1.1468290004
 C      2.3664575940      2.1569918182      1.4069021941
18
# ORCA AIMD Position Step 440, t=440.00 fs, E_Pot=-685.22815400 Hartree, Unit is Angstrom
 C      1.1632709465      2.7440742137      1.5976563506
 C     -0.0425981193      2.9210506404      1.5467542208
 C     -1.3619663292      2.8664133345      1.2590772000
 C     -2.5065404644      2.5232632488      0.8777755684
 C     -3.4521605115      1.7550975013      0.3371774193
 C     -3.8801571592      0.7491706340     -0.2443815092
 C     -3.7961630918     -0.4275454362     -0.7874895925
 C     -3.3067532905     -1.5162604014     -1.0807525831
 C     -2.3733732479     -2.4258697084     -1.3894010298
 C     -1.2165430136     -2.6878937500     -1.5008236096
 C      0.1143502509     -2.8613707234     -1.6040990284
 C      1.3487856523     -2.9185107082     -1.4922245012
 C      2.5710413082     -2.5985338759     -0.9541427801
 C      3.3272240041     -1.8772585978     -0.3287655623
 C      3.7881324680     -0.7573032420      0.2111459070
 C      3.8619068092      0.3371981417      0.7694600352
 C      3.3287163287      1.4831530086      1.1491303035
 C      2.3700012979      2.1563918547      1.4100029411
18
# ORCA AIMD Position Step 441, t=441.00 fs, E_Pot=-685.22857204 Hartree, Unit is Angstrom
 C      1.1634206603      2.7408315851      1.6012374383
 C     -0.0414711049      2.9139123113      1.5505998163
 C     -1.3557326291      2.8626585484      1.2652896441
 C     -2.5022473979      2.5181382245      0.8853332133
 C     -3.4520331741      1.7570684100      0.3336109819
 C     -3.8824449241      0.7481700149     -0.2443395194
 C     -3.7978892676     -0.4210723474     -0.7907007603
 C     -3.3088352965     -1.5068629542     -1.0849311864
 C     -2.3723296721     -2.4213191580     -1.3941563943
 C     -1.2096458193     -2.6861122676     -1.5055231176
 C      0.1155690036     -2.8573195762     -1.6053374777
 C      1.3419856901     -2.9200334232     -1.4928920272
 C      2.5726306706     -2.6022459495     -0.9583912715
 C      3.3256144743     -1.8791458913     -0.3281693317
 C      3.7821633711     -0.7570207081      0.2135339882
 C      3.8587291911      0.3389333894      0.7640939304
 C      3.3279300429      1.4767002079      1.1516693397
 C      2.3721566987      2.1573755975      1.4137797708
18
# ORCA AIMD Position Step 442, t=442.00 fs, E_Pot=-685.23055060 Hartree, Unit is Angstrom
 C      1.1639953264      2.7372540041      1.6046572346
 C     -0.0406410258      2.9068439615      1.5543230825
 C     -1.3516721969      2.8583154476      1.2709888940
 C     -2.4954154969      2.5137112385      0.8937985978
 C     -3.4524360880      1.7580272318      0.3293238372
 C     -3.8843375140      0.7502887009     -0.2427379172
 C     -3.7995414401     -0.4172082234     -0.7947812809
 C     -3.3114361462     -1.4969326275     -1.0892216263
 C     -2.3728138279     -2.4157774056     -1.3986572524
 C     -1.2009006216     -2.6852368427     -1.5108712352
 C      0.1180947695     -2.8537206103     -1.6064177121
 C      1.3348918656     -2.9212250702     -1.4928852951
 C      2.5731455545     -2.6060916099     -0.9632031606
 C      3.3238009927     -1.8814654261     -0.3282101525
 C      3.7768849719     -0.7558360808      0.2168393345
 C      3.8559564277      0.3386861551      0.7576126235
 C      3.3273612790      1.4705542874      1.1545484856
 C      2.3730269616      2.1598419426      1.4181999333
18
# ORCA AIMD Position Step 443, t=443.00 fs, E_Pot=-685.23272374 Hartree, Unit is Angstrom
 C      1.1649765385      2.7333898314      1.6079237802
 C     -0.0399906056      2.8999008289      1.5579545941
 C     -1.3498287356      2.8534089934      1.2761694093
 C     -2.4864148513      2.5098308521      0.9029621609
 C     -3.4531250716      1.7582325447      0.3245526961
 C     -3.8858735459      0.7554266417     -0.2396610616
 C     -3.8012758996     -0.4156339060     -0.7996335233
 C     -3.3142413152     -1.4869802440     -1.0937492008
 C     -2.3741034822     -2.4093751567     -1.4029517726
 C     -1.1915160349     -2.6849825458     -1.5167258153
 C      0.1215440949     -2.8506232053     -1.6074222974
 C      1.3283306079     -2.9220767606     -1.4921164004
 C      2.5725837752     -2.6099708599     -0.9684847476
 C      3.3217101670     -1.8842220794     -0.3289444112
 C      3.7722750887     -0.7542084660      0.2208039267
 C      3.8536544385      0.3366557076      0.7501836067
 C      3.3266813779      1.4651097285      1.1578814845
 C      2.3729680055      2.1635116792      1.4231599505
18
# ORCA AIMD Position Step 444, t=444.00 fs, E_Pot=-685.23372030 Hartree, Unit is Angstrom
 C      1.1661682417      2.7293409855      1.6110566002
 C     -0.0393643918      2.8931237459      1.5615243047
 C     -1.3499342801      2.8480377460      1.2809206982
 C     -2.4759091672      2.5062483172      0.9125093192
 C     -3.4537295444      1.7581686424      0.3196727038
 C     -3.8871672770      0.7630348107     -0.2354252121
 C     -3.8033322355     -0.4156547610     -0.8050094939
 C     -3.3169219292     -1.4775836790     -1.0986581610
 C     -2.3753044282     -2.4023402150     -1.4071231372
 C     -1.1828286574     -2.6850208944     -1.5229309810
 C      0.1254770023     -2.8480657522     -1.6084421715
 C      1.3231120398     -2.9226121132     -1.4905284183
 C      2.5710386761     -2.6137448393     -0.9740931469
 C      3.3192706311     -1.8874006782     -0.3304176484
 C      3.7682721060     -0.7528201857      0.2250596196
 C      3.8518486689      0.3333379508      0.7420983418
 C      3.3255417061      1.4607173209      1.1617688498
 C      2.3725067647      2.1679904250      1.4285170509
18
# ORCA AIMD Position Step 445, t=445.00 fs, E_Pot=-685.23310576 Hartree, Unit is Angstrom
 C      1.1672695906      2.7252346201      1.6140885359
 C     -0.0386119425      2.8865357265      1.5650598100
 C     -1.3514214292      2.8423644352      1.2854309746
 C     -2.4647929044      2.5026422818      0.9220542152
 C     -3.4537979383      1.7584865502      0.3151538150
 C     -3.8884041999      0.7722296885     -0.2305206232
 C     -3.8059934606     -0.4163502665     -0.8105715502
 C     -3.3191628050     -1.4693152203     -1.1041012761
 C     -2.3755667291     -2.3949217183     -1.4112686581
 C     -1.1760407124     -2.6850401063     -1.5293498237
 C      0.1294629829     -2.8460713735     -1.6095656788
 C      1.3199135834     -2.9228802706     -1.4881006222
 C      2.5686762264     -2.6172618977     -0.9798600736
 C      3.3164220692     -1.8909738812     -0.3326616173
 C      3.7647833287     -0.7524789274      0.2291846974
 C      3.8505223698      0.3294541464      0.7337276674
 C      3.3236568960      1.4576066379      1.1662741902
 C      2.3722183754      2.1728612123      1.4341244586
18
# ORCA AIMD Position Step 446, t=446.00 fs, E_Pot=-685.23171595 Hartree, Unit is Angstrom
 C      1.1679608244      2.7211985935      1.6170605473
 C     -0.0376337557      2.8801464640      1.5685829305
 C     -1.3534854916      2.8366026592      1.2899660370
 C     -2.4540974802      2.4986570922      0.9311812903
 C     -3.4528623151      1.7599013360      0.3114925651
 C     -3.8898153909      0.7819729085     -0.2255183240
 C     -3.8095309096     -0.4167765560     -0.8159653749
 C     -3.3207033193     -1.4626526672     -1.1102150570
 C     -2.3742370372     -2.3873323578     -1.4154807729
 C     -1.1720258583     -2.6847942743     -1.5358845115
 C      0.1331355813     -2.8446508955     -1.6108644907
 C      1.3191704826     -2.9229493907     -1.4848573178
 C      2.5657191844     -2.6203784521     -0.9856122014
 C      3.3131278078     -1.8949032350     -0.3356891726
 C      3.7617037950     -0.7539767303      0.2327749444
 C      3.8496211864      0.3258110080      0.7254576586
 C      3.3208621062      1.4558506820      1.1714067233
 C      2.3726152822      2.1777605655      1.4398638768
18
# ORCA AIMD Position Step 447, t=447.00 fs, E_Pot=-685.23112131 Hartree, Unit is Angstrom
 C      1.1679954288      2.7173375222      1.6200149787
 C     -0.0364112307      2.8739639234      1.5721083954
 C     -1.3552070688      2.8309920100      1.2948306554
 C     -2.4448694389      2.4939498761      0.9394857392
 C     -3.4505127791      1.7630574147      0.3091335232
 C     -3.8916339985      0.7912683708     -0.2209656970
 C     -3.8141416270     -0.4161665024     -0.8208899869
 C     -3.3213788349     -1.4578885039     -1.1170880860
 C     -2.3709509121     -2.3797125008     -1.4198295993
 C     -1.1712193725     -2.6841350382     -1.5424823812
 C      0.1362422167     -2.8438058618     -1.6123836743
 C      1.3209962250     -2.9228958048     -1.4808731096
 C      2.5624244775     -2.6229758529     -0.9911861861
 C      3.3093875903     -1.8991383915     -0.3394864239
 C      3.7589394916     -0.7579316996      0.2355155870
 C      3.8490617198      0.3231303776      0.7176245694
 C      3.3171460793      1.4553583243      1.1771116074
 C      2.3740527817      2.1824412454      1.4456600631
18
# ORCA AIMD Position Step 448, t=448.00 fs, E_Pot=-685.23249740 Hartree, Unit is Angstrom
 C      1.1672697500      2.7137206643      1.6229869144
 C     -0.0350164133      2.8680074543      1.5756399429
 C     -1.3557305526      2.8257611133      1.3003034139
 C     -2.4380081552      2.4882598129      0.9466269613
 C     -3.4464891878      1.7683683903      0.3083793088
 C     -3.8940303273      0.7993441611     -0.2172865716
 C     -3.8198856952     -0.4140827056     -0.8251470141
 C     -3.3211618032     -1.4550515688     -1.1247241068
 C     -2.3656802341     -2.3721183294     -1.4243471764
 C     -1.1735734578     -2.6830290715     -1.5491293925
 C      0.1386700557     -2.8435348273     -1.6141320652
 C      1.3251389119     -2.9228000228     -1.4762846764
 C      2.5590693009     -2.6249741768     -0.9964364652
 C      3.3052567150     -1.9036051018     -0.3440001756
 C      3.7564297418     -0.7646268817      0.2372444293
 C      3.8487352654      0.3218821235      0.7104546616
 C      3.3126638075      1.4558837268      1.1832634371
 C      2.3766656317      2.1868024976      1.4514877143
18
# ORCA AIMD Position Step 449, t=449.00 fs, E_Pot=-685.23556986 Hartree, Unit is Angstrom
 C      1.1658629025      2.7103762339      1.6259986216
 C     -0.0336004151      2.8623163617      1.5791710906
 C     -1.3544801750      2.8210747999      1.3065629777
 C     -2.4340626076      2.4814864780      0.9523970766
 C     -3.4407709445      1.7758653923      0.3093041092
 C     -3.8970479350      0.8057989663     -0.2147014603
 C     -3.8266491257     -0.4104901643     -0.8286657324
 C     -3.3201846279     -1.4538699135     -1.1330168853
 C     -2.3587553822     -2.3645189773     -1.4290180124
 C     -1.1785498836     -2.6815660238     -1.5558416754
 C      0.1404427235     -2.8438318681     -1.6160804662
 C      1.3309887468     -2.9227456626     -1.4712962654
 C      2.5559368450     -2.6263450785     -1.0012434799
 C      3.3008602012     -1.9081941263     -0.3491230807
 C      3.7541596912     -0.7739024409      0.2379870032
 C      3.8485131345      0.3221676154      0.7040298485
 C      3.3077284009      1.4570486142      1.1896694545
 C      2.3803422041      2.1908965075      1.4573651588
18
# ORCA AIMD Position Step 450, t=450.00 fs, E_Pot=-685.23855876 Hartree, Unit is Angstrom
 C      1.1640322828      2.7072910929      1.6290603783
 C     -0.0323589672      2.8569393821      1.5826954901
 C     -1.3513353945      2.8169837203      1.3136354980
 C     -2.4330567324      2.4737371560      0.9567948176
 C     -3.4336227655      1.7851433545      0.3117083386
 C     -3.9005744311      0.8106649618     -0.2131885956
 C     -3.8341612221     -0.4057198083     -0.8315050547
 C     -3.3187228884     -1.4538053187     -1.1417650249
 C     -2.3508387456     -2.3567917197     -1.4337848218
 C     -1.1851760535     -2.6799509698     -1.5626648505
 C      0.1416927174     -2.8446852152     -1.6181674977
 C      1.3376637012     -2.9228168504     -1.4661635228
 C      2.5532876851     -2.6271228528     -1.0055351103
 C      3.2963897574     -1.9127639241     -0.3546976374
 C      3.7521603925     -0.7851667792      0.2379490684
 C      3.8482544171      0.3237026549      0.6982837485
 C      3.3027682737      1.4583862415      1.1960921142
 C      2.3847508283      2.1949102087      1.4633533754
18
# ORCA AIMD Position Step 451, t=451.00 fs, E_Pot=-685.23945236 Hartree, Unit is Angstrom
 C      1.1621584934      2.7044177653      1.6321798675
 C     -0.0314911389      2.8519218797      1.5862156135
 C     -1.3466588809      2.8134039926      1.3213962753
 C     -2.4344559674      2.4653239276      0.9600485916
 C     -3.4255642430      1.7954395704      0.3151538781
 C     -3.9043686532      0.8143351096     -0.2125276309
 C     -3.8420583280     -0.4003296809     -0.8338182176
 C     -3.3171394184     -1.4541619150     -1.1507194981
 C     -2.3428279126     -2.3487275761     -1.4385640678
 C     -1.1921888597     -2.6784751215     -1.5696765881
 C      0.1426015800     -2.8460758888     -1.6203177436
 C      1.3441669129     -2.9230979970     -1.4611595669
 C      2.5513238640     -2.6274098248     -1.0093031081
 C      3.2920932206     -1.9171419971     -0.3605256756
 C      3.7504920618     -0.7975395780      0.2374583614
 C      3.8478163148      0.3259191472      0.6930361971
 C      3.2982550705      1.4593986230      1.2022868100
 C      2.3894273340      2.1991190032      1.4695450823
18
# ORCA AIMD Position Step 452, t=452.00 fs, E_Pot=-685.23751272 Hartree, Unit is Angstrom
 C      1.1606611091      2.7016933520      1.6353666049
 C     -0.0311511812      2.8472946710      1.5897484003
 C     -1.3411725654      2.8101477479      1.3296148279
 C     -2.4373029278      2.4567076666      0.9625751472
 C     -3.4172831583      1.8058020049      0.3190556456
 C     -3.9081250071      0.8173939462     -0.2123941604
 C     -3.8499589192     -0.3949371291     -0.8358007474
 C     -3.3158174336     -1.4542170303     -1.1596313911
 C     -2.3356934453     -2.3400662726     -1.4432659695
 C     -1.1982536538     -2.6774656613     -1.5769757984
 C      0.1433430669     -2.8479825684     -1.6224590516
 C      1.3495561897     -2.9236699853     -1.4565386469
 C      2.5501563525     -2.6273717170     -1.0126112712
 C      3.2882572974     -1.9211322448     -0.3663829519
 C      3.7492274834     -0.8100420673      0.2368856377
 C      3.8470657700      0.3281261267      0.6880561671
 C      3.2946180932      1.4596286376      1.2080370537
 C      2.3938945286      2.2038114737      1.4760425742
18
# ORCA AIMD Position Step 453, t=453.00 fs, E_Pot=-685.23381672 Hartree, Unit is Angstrom
 C      1.1599059761      2.6990624469      1.6386363517
 C     -0.0314122151      2.8430703180      1.5933261542
 C     -1.3357531937      2.8069798297      1.3380219800
 C     -2.4404472605      2.4484117020      0.9648945030
 C     -3.4095249245      1.8152703290      0.3227877046
 C     -3.9115428587      0.8204325302     -0.2124596141
 C     -3.8575274041     -0.3900744036     -0.8376385191
 C     -3.3151058281     -1.4533243737     -1.1682864325
 C     -2.3302748101     -2.3305583590     -1.4478208718
 C     -1.2022130336     -2.6772206104     -1.5846613285
 C      0.1440390364     -2.8503869604     -1.6245364649
 C      1.3530816569     -2.9246033078     -1.4525050310
 C      2.5497870699     -2.6272231074     -1.0155894955
 C      3.2851842597     -1.9245257926     -0.3720373591
 C      3.7484385513     -0.8217642515      0.2365758422
 C      3.8458859682      0.3296565567      0.6831199964
 C      3.2921658559      1.4587296914      1.2131820602
 C      2.3977886343      2.2092042721      1.4829296307
18
# ORCA AIMD Position Step 454, t=454.00 fs, E_Pot=-685.23043446 Hartree, Unit is Angstrom
 C      1.1601307101      2.6964937102      1.6420123013
 C     -0.0322432856      2.8392424866      1.5969935525
 C     -1.3312325283      2.8036733146      1.3463733889
 C     -2.4427794409      2.4409334180      0.9675330601
 C     -3.4029857391      1.8230178803      0.3257795956
 C     -3.9143790659      0.8239103980     -0.2124694312
 C     -3.8645144747     -0.3860935428     -0.8394663558
 C     -3.3152846940     -1.4509774028     -1.1765259485
 C     -2.3270736773     -2.3200392047     -1.4522050003
 C     -1.2033179316     -2.6779376412     -1.5928062317
 C      0.1447284098     -2.8532773313     -1.6265210844
 C      1.3542766578     -2.9259522509     -1.4491924865
 C      2.5501097855     -2.6272035645     -1.0184151597
 C      3.2831648950     -1.9271184080     -0.3772704965
 C      3.7481853723     -0.8319766413      0.2368007067
 C      3.8441805158      0.3299733763      0.6780556899
 C      3.2910289003      1.4565153451      1.2176328048
 C      2.4009511812      2.2153744250      1.4902465354
18
# ORCA AIMD Position Step 455, t=455.00 fs, E_Pot=-685.22904544 Hartree, Unit is Angstrom
 C      1.1613966655      2.6939916946      1.6455217241
 C     -0.0335010662      2.8357922421      1.6008011759
 C     -1.3282641974      2.8000493008      1.3544837156
 C     -2.4434162964      2.4346731938      0.9709318967
 C     -3.3982211528      1.8284382587      0.3275912311
 C     -3.9164711090      0.8280854298     -0.2122830513
 C     -3.8707684920     -0.3831351615     -0.8413464549
 C     -3.3165515608     -1.4468328941     -1.1842485040
 C     -2.3261149152     -2.3084983756     -1.4564553900
 C     -1.2013881405     -2.6796559852     -1.6014285405
 C      0.1453599301     -2.8566494923     -1.6284130961
 C      1.3529956597     -2.9277504145     -1.4466590657
 C      2.5509350891     -2.6275434957     -1.0212782081
 C      3.2824437585     -1.9287383215     -0.3818998681
 C      3.7485107992     -0.8401755635      0.2377368842
 C      3.8418760143      0.3287268178      0.6727692686
 C      3.2911377062      1.4529838799      1.2213741160
 C      2.4034757542      2.2222167709      1.4979686777
18
# ORCA AIMD Position Step 456, t=456.00 fs, E_Pot=-685.23000609 Hartree, Unit is Angstrom
 C      1.1635666610      2.6916045151      1.6491864291
 C     -0.0349354174      2.8326979240      1.6047938359
 C     -1.3272497876      2.7960059869      1.3622337853
 C     -2.4418366914      2.4298859394      0.9753628612
 C     -3.3955732189      1.8311922420      0.3279690629
 C     -3.9177436142      0.8329897034     -0.2118808106
 C     -3.8762246796     -0.3811400746     -0.8432643857
 C     -3.3190104318     -1.4407250810     -1.1913916192
 C     -2.3269273478     -2.2961290435     -1.4606673383
 C     -1.1968509227     -2.6822279544     -1.6104639127
 C      0.1457996028     -2.8604989106     -1.6302383170
 C      1.3494136176     -2.9300046230     -1.4448922168
 C      2.5520382417     -2.6284215529     -1.0243336970
 C      3.2831779731     -1.9292826601     -0.3858035208
 C      3.7494385197     -0.8460868512      0.2394560819
 C      3.8389278568      0.3257832806      0.6672654352
 C      3.2922429454      1.4483147246      1.2244500742
 C      2.4056900272      2.2294333522      1.5059890015
18
# ORCA AIMD Position Step 457, t=457.00 fs, E_Pot=-685.23237309 Hartree, Unit is Angstrom
 C      1.1663194128      2.6894194620      1.6530190997
 C     -0.0362207085      2.8299410092      1.6090014942
 C     -1.3282861551      2.7915332092      1.3695749288
 C     -2.4379732053      2.4266400118      0.9808709437
 C     -3.3951068581      1.8312469646      0.3268903848
 C     -3.9182123762      0.8384412395     -0.2113572473
 C     -3.8809004928     -0.3798766312     -0.8451368308
 C     -3.3226563403     -1.4326805180     -1.1979296551
 C     -2.3286545814     -2.2833142904     -1.4649747633
 C     -1.1906499228     -2.6853342135     -1.6197647992
 C      0.1458552654     -2.8648154251     -1.6320428136
 C      1.3439973505     -2.9326944575     -1.4438183767
 C      2.5532173708     -2.6299188688     -1.0276545628
 C      3.2853890022     -1.9287621434     -0.3889533400
 C      3.7509679866     -0.8496731604      0.2419210543
 C      3.8353260185      0.3212443521      0.6616534509
 C      3.2939589493      1.4428406924      1.2269488332
 C      2.4081000791      2.2365645346      1.5141232843
18
# ORCA AIMD Position Step 458, t=458.00 fs, E_Pot=-685.23464772 Hartree, Unit is Angstrom
 C      1.1692156113      2.6875416165      1.6570260603
 C     -0.0370108345      2.8275018243      1.6134420981
 C     -1.3311415819      2.7867082698      1.3765516792
 C     -2.4322324645      2.4247958253      0.9872633397
 C     -3.3965869207      1.8288869886      0.3245759795
 C     -3.9179880130      0.8440870218     -0.2109003306
 C     -3.8848995796     -0.3789779694     -0.8468321534
 C     -3.3273652950     -1.4229157022     -1.2038925755
 C     -2.3302673173     -2.2705295414     -1.4695291066
 C     -1.1840345530     -2.6885471027     -1.6291421612
 C      0.1453173324     -2.8695878563     -1.6338890654
 C      1.3374200761     -2.9357802257     -1.4433158281
 C      2.5543507332     -2.6319905635     -1.0312071474
 C      3.2889382031     -1.9273287980     -0.3914415137
 C      3.7530747439     -0.8511443960      0.2449945279
 C      3.8310951174      0.3154402357      0.6561287094
 C      3.2958355753      1.4369814356      1.2289908827
 C      2.4112943296      2.2430769224      1.5221488292
18
# ORCA AIMD Position Step 459, t=459.00 fs, E_Pot=-685.23565839 Hartree, Unit is Angstrom
 C      1.1718038997      2.6860679346      1.6612136481
 C     -0.0370066329      2.8253585228      1.6181267676
 C     -1.3352785117      2.7816831164      1.3833101207
 C     -2.4254201640      2.4240319073      0.9941551949
 C     -3.3995276316      1.8246685048      0.3214483257
 C     -3.9172705513      0.8494563283     -0.2107652667
 C     -3.8884033288     -0.3779905878     -0.8481956710
 C     -3.3328966005     -1.4118131716     -1.2093769611
 C     -2.3308016284     -2.2582197948     -1.4744734107
 C     -1.1783037483     -2.6914162984     -1.6384135083
 C      0.1440027616     -2.8748124545     -1.6358484937
 C      1.3304358163     -2.9392160149     -1.4432378566
 C      2.5554265514     -2.6344703335     -1.0348550852
 C      3.2935466957     -1.9252642830     -0.3934759732
 C      3.7557171356     -0.8509356868      0.2484594924
 C      3.8262842206      0.3088928248      0.6509457243
 C      3.2974421106      1.4311590560      1.2307068758
 C      2.4158245417      2.2484656081      1.5298543497
18
# ORCA AIMD Position Step 460, t=460.00 fs, E_Pot=-685.23518119 Hartree, Unit is Angstrom
 C      1.1737396612      2.6850624578      1.6655874694
 C     -0.0360146915      2.8234902075      1.6230608034
 C     -1.3399233316      2.7766633517      1.3900842259
 C     -2.4186002645      2.4239113978      1.0010424342
 C     -3.4032931591      1.8193243857      0.3180577077
 C     -3.9163279033      0.8540207640     -0.2112468852
 C     -3.8916474443     -0.3764308909     -0.8490674004
 C     -3.3389056352     -1.3998854752     -1.2145439921
 C     -2.3295438882     -2.2467060482     -1.4799161967
 C     -1.1745875109     -2.6935450265     -1.6474355120
 C      0.1417899987     -2.8804963865     -1.6379893928
 C      1.3237545275     -2.9429578256     -1.4434400448
 C      2.5565307704     -2.6371055512     -1.0383890276
 C      3.2988478977     -1.9229338914     -0.3953404789
 C      3.7588436569     -0.8496530471      0.2520450754
 C      3.8209578226      0.3022591819      0.6463935636
 C      3.2984325481      1.4257308345      1.2322163779
 C      2.4220962170      2.2523368604      1.5370720996
18
# ORCA AIMD Position Step 461, t=461.00 fs, E_Pot=-685.23399733 Hartree, Unit is Angstrom
 C      1.1748802547      2.6845395421      1.6701509429
 C     -0.0339838011      2.8218809329      1.6282437775
 C     -1.3441864520      2.7718785910      1.3971569880
 C     -2.4129146435      2.4239636334      1.0073901524
 C     -3.4072106536      1.8136503449      0.3149920701
 C     -3.9154631730      0.8572634640     -0.2126389638
 C     -3.8948849619     -0.3738483243     -0.8493064973
 C     -3.3449726434     -1.3877236781     -1.2195987766
 C     -2.3261299550     -2.2361364965     -1.4859157153
 C     -1.1736998197     -2.6946406600     -1.6561170670
 C      0.1386405158     -2.8866552418     -1.6403655355
 C      1.3179446486     -2.9469662154     -1.4438002363
 C      2.5578069367     -2.6396086085     -1.0415708369
 C      3.3044528602     -1.9207256556     -0.3973421182
 C      3.7624022148     -0.8479954137      0.2554560097
 C      3.8151855117      0.2962546639      0.6427687297
 C      3.2985910835      1.4209421292      1.2336061080
 C      2.4302803076      2.2544640483      1.5437006140
18
# ORCA AIMD Position Step 462, t=462.00 fs, E_Pot=-685.23339320 Hartree, Unit is Angstrom
 C      1.1753348847      2.6844580863      1.6749037342
 C     -0.0310144480      2.8205234212      1.6336685248
 C     -1.3472340518      2.7675383988      1.4047966311
 C     -2.4093754523      2.4237684421      1.0127258964
 C     -3.4106770818      1.8083821642      0.3127841085
 C     -3.9149665840      0.8587699827     -0.2151792035
 C     -3.8983434103     -0.3698991054     -0.8488181922
 C     -3.3506487139     -1.3759272114     -1.2247578557
 C     -2.3205795382     -2.2264765927     -1.4924734751
 C     -1.1760495093     -2.6945449907     -1.6644185358
 C      0.1346073951     -2.8933060768     -1.6430068114
 C      1.3133735513     -2.9512044795     -1.4442309965
 C      2.5594035800     -2.6417099984     -1.0441789664
 C      3.3100082077     -1.9189917586     -0.3997596235
 C      3.7663454623     -0.8466561644      0.2584055410
 C      3.8090370108      0.2915564815      0.6403423291
 C      3.2978532089      1.4169013678      1.2349163813
 C      2.4402677367      2.2548157042      1.5497140978
18
# ORCA AIMD Position Step 463, t=463.00 fs, E_Pot=-685.23428667 Hartree, Unit is Angstrom
 C      1.1754616131      2.6847255158      1.6798361543
 C     -0.0273396933      2.8194199840      1.6393197326
 C     -1.3484905581      2.7637787907      1.4131799124
 C     -2.4086539829      2.4230370069      1.0167230625
 C     -3.4132486902      1.8040684489      0.3118297911
 C     -3.9150568799      0.8583452444     -0.2189822378
 C     -3.9021784629     -0.3644358653     -0.8475875639
 C     -3.3555125848     -1.3650226718     -1.2302108106
 C     -2.3132965030     -2.2175227247     -1.4995267753
 C     -1.1815907203     -2.6932549826     -1.6723443315
 C      0.1298362337     -2.9004567366     -1.6459119701
 C      1.3101857435     -2.9556312418     -1.4446853890
 C      2.5614209673     -2.6432009202     -1.0460454093
 C      3.3152357883     -1.9180040635     -0.4028021962
 C      3.7706314568     -0.8462085476      0.2606547364
 C      3.8025857632      0.2886882224      0.6393200643
 C      3.2963105774      1.4135772908      1.2361375547
 C      2.4516618780      2.2535632348      1.5551576595
18
# ORCA AIMD Position Step 464, t=464.00 fs, E_Pot=-685.23642121 Hartree, Unit is Angstrom
 C      1.1758062644      2.6852127052      1.6849273203
 C     -0.0232813369      2.8185806887      1.6451724072
 C     -1.3478050860      2.7606199262      1.4223218093
 C     -2.4109161957      2.4216677290      1.0192697559
 C     -3.4147059410      1.8009720896      0.3123209098
 C     -3.9158316217      0.8561177203     -0.2239753199
 C     -3.9064344360     -0.3575894278     -0.8457142945
 C     -3.3592302607     -1.3553825689     -1.2360792166
 C     -2.3050425590     -2.2089263414     -1.5069491914
 C     -1.1898064552     -2.6909366432     -1.6799356137
 C      0.1245539098     -2.9080934345     -1.6490474445
 C      1.3083133276     -2.9601960110     -1.4451536227
 C      2.5638710488     -2.6439654702     -1.0470833518
 C      3.3199581983     -1.9179221438     -0.4065804825
 C      3.7752215911     -0.8469896919      0.2620496813
 C      3.7959151679      0.2878949377      0.6397980883
 C      3.2942005520      1.4108094804      1.2372134711
 C      2.4638114336      2.2510702848      1.5601411973
18
# ORCA AIMD Position Step 465, t=465.00 fs, E_Pot=-685.23840068 Hartree, Unit is Angstrom
 C      1.1769888400      2.6857763660      1.6901512501
 C     -0.0191809247      2.8180162013      1.6511978037
 C     -1.3455009458      2.7579540487      1.4320588364
 C     -2.4157778035      2.4197554037      1.0204942980
 C     -3.4150747645      1.7990341942      0.3142185366
 C     -3.9172479187      0.8525746269     -0.2298764362
 C     -3.9110310854     -0.3497969511     -0.8434301391
 C     -3.3616070615     -1.3471624653     -1.2423945859
 C     -2.2968624299     -2.2002225193     -1.5145645934
 C     -1.1997580120     -2.6879203504     -1.6872703060
 C      0.1190389183     -2.9161808576     -1.6523528515
 C      1.3075168363     -2.9648413954     -1.4456560576
 C      2.5666555346     -2.6440006364     -1.0473047670
 C      3.3241199966     -1.9187739090     -0.4110970568
 C      3.7800804727     -0.8490271315      0.2625523196
 C      3.7891219864      0.2890571719      0.6417243170
 C      3.2918725898      1.4083367044      1.2380552832
 C      2.4758949029      2.2478568148      1.5648327345
18
# ORCA AIMD Position Step 466, t=466.00 fs, E_Pot=-685.23880628 Hartree, Unit is Angstrom
 C      1.1795757503      2.6862841754      1.6954845697
 C     -0.0153224573      2.8177305220      1.6573734741
 C     -1.3422715616      2.7555718856      1.4420940776
 C     -2.4224193236      2.4175513097      1.0207278015
 C     -3.4145906857      1.7979202602      0.3172850712
 C     -3.9191465952      0.8484989059     -0.2362338495
 C     -3.9157863567     -0.3417542930     -0.8410812655
 C     -3.3626044678     -1.3402882981     -1.2491050252
 C     -2.2899433936     -2.1908770477     -1.5221760245
 C     -1.2102277058     -2.6846602927     -1.6944612445
 C      0.1135821817     -2.9246703963     -1.6557550173
 C      1.3074500136     -2.9695109379     -1.4462311757
 C      2.5695631109     -2.6434186151     -1.0468219128
 C      3.3277920696     -1.9204537374     -0.4162499812
 C      3.7851727417     -0.8520477232      0.2622374122
 C      3.7823161846      0.2916908313      0.6448995199
 C      3.2897248878      1.4058542696      1.2385665535
 C      2.4870524150      2.2445221012      1.5694382136
18
# ORCA AIMD Position Step 467, t=467.00 fs, E_Pot=-685.23740096 Hartree, Unit is Angstrom
 C      1.1839637678      2.6866359132      1.7009127684
 C     -0.0118692507      2.8177146434      1.6636878633
 C     -1.3389762943      2.7532188926      1.4520742059
 C     -2.4298019638      2.4153890397      1.0204201547
 C     -3.4136176124      1.7971410019      0.3211634571
 C     -3.9213090122      0.8448187141     -0.2425119719
 C     -3.9204617035     -0.3342988709     -0.8390798159
 C     -3.3623194455     -1.3345054446     -1.2560995184
 C     -2.2854157636     -2.1803671030     -1.5296034583
 C     -1.2199459954     -2.6816541859     -1.7016379909
 C      0.1084551909     -2.9335094231     -1.6591794890
 C      1.3077348646     -2.9741556012     -1.4469234299
 C      2.5722844336     -2.6424308084     -1.0458326085
 C      3.3311582464     -1.9227396178     -0.4218523426
 C      3.7904596817     -0.8555687807      0.2612599531
 C      3.7756224574      0.2950382269      0.6490115335
 C      3.2881222659      1.4030925739      1.2386752635
 C      2.4965171869      2.2416466283      1.5741696018
18
# ORCA AIMD Position Step 468, t=468.00 fs, E_Pot=-685.23534511 Hartree, Unit is Angstrom
 C      1.1903032390      2.6867772889      1.7064306440
 C     -0.0088339142      2.8179426471      1.6701399563
 C     -1.3364300792      2.7506521081      1.4616648059
 C     -2.4368884708      2.4136090301      1.0200440186
 C     -3.4125514187      1.7961877420      0.3254712296
 C     -3.9235189406      0.8424264242     -0.2481943697
 C     -3.9248152876     -0.3282564775     -0.8378352752
 C     -3.3609446212     -1.3294585543     -1.2632404723
 C     -2.2841098746     -2.1682977385     -1.5367236846
 C     -1.2278642865     -2.6793296809     -1.7089132298
 C      0.1038853467     -2.9426460557     -1.6625593390
 C      1.3080290741     -2.9787359411     -1.4477724540
 C      2.5744442433     -2.6413137311     -1.0445897955
 C      3.3344819465     -1.9253275005     -0.4276610374
 C      3.7958948188     -0.8590327210      0.2598055921
 C      3.7691811599      0.2982096114      0.6536885190
 C      3.2873152986      1.3999023393      1.2383667518
 C      2.5037248061      2.2396911855      1.5792039751
18
# ORCA AIMD Position Step 469, t=469.00 fs, E_Pot=-685.23420366 Hartree, Unit is Angstrom
 C      1.1984657180      2.6867054911      1.7120404900
 C     -0.0060894402      2.8183718088      1.6767327673
 C     -1.3352509060      2.7476803887      1.4705985282
 C     -2.4428042826      2.4125003266      1.0200176695
 C     -3.4117358085      1.7946446908      0.3298801443
 C     -3.9256095260      0.8420120318     -0.2528756136
 C     -3.9286465646     -0.3242881892     -0.8376825289
 C     -3.3587309815     -1.3247687733     -1.2703898946
 C     -2.2863355522     -2.1545259187     -1.5435038314
 C     -1.2333907445     -2.6779311827     -1.7163441657
 C      0.1000405807     -2.9520276760     -1.6658406597
 C      1.3080698550     -2.9832211239     -1.4488047753
 C      2.5756494556     -2.6403626397     -1.0433603254
 C      3.3380560795     -1.9278778617     -0.4334117519
 C      3.8014211762     -0.8619341680      0.2580433442
 C      3.7631439509      0.3003288136      0.6585533679
 C      3.2873840787      1.3963173741      1.2377055305
 C      2.5083864540      2.2389170604      1.5846455958
18
# ORCA AIMD Position Step 470, t=470.00 fs, E_Pot=-685.23470050 Hartree, Unit is Angstrom
 C      1.2080457589      2.6864702499      1.7177465249
 C     -0.0034137409      2.8189439116      1.6834613164
 C     -1.3357752116      2.7441878690      1.4786944505
 C     -2.4469270300      2.4122635159      1.0206524505
 C     -3.4114011473      1.7922620224      0.3341691648
 C     -3.9274882638      0.8439385344     -0.2563272500
 C     -3.9318248693     -0.3227653322     -0.8388200504
 C     -3.3559655163     -1.3200905627     -1.2774226945
 C     -2.2917698995     -2.1392532869     -1.5500147868
 C     -1.2365006935     -2.6774504958     -1.7239041370
 C      0.0970194900     -2.9615904699     -1.6689813315
 C      1.3076955447     -2.9875856220     -1.4500292648
 C      2.5755529836     -2.6398371155     -1.0423778825
 C      3.3421407120     -1.9300727579     -0.4388615532
 C      3.8069709220     -0.8639102869      0.2560924833
 C      3.7576664048      0.3006565147      0.6632708699
 C      3.2882203495      1.3925722120      1.2368382472
 C      2.5105162517      2.2393448313      1.5905004600
18
# ORCA AIMD Position Step 471, t=471.00 fs, E_Pot=-685.23627955 Hartree, Unit is Angstrom
 C      1.2184021702      2.6861689455      1.7235505290
 C     -0.0005511770      2.8195905740      1.6903058865
 C     -1.3380273435      2.7401405964      1.4858629638
 C     -2.4489334990      2.4129903518      1.0221238807
 C     -3.4116312508      1.7889924713      0.3382505233
 C     -3.9291449166      0.8481784888     -0.2585273816
 C     -3.9343094866     -0.3236949275     -0.8412719918
 C     -3.3529549635     -1.3151458712     -1.2842363739
 C     -2.2994934270     -2.1230353852     -1.5564199633
 C     -1.2376840992     -2.6776321012     -1.7314828516
 C      0.0948411983     -2.9712530250     -1.6719526096
 C      1.3068463719     -2.9918057898     -1.4514366015
 C      2.5739236810     -2.6399028078     -1.0417935054
 C      3.3468955667     -1.9316779259     -0.4438318007
 C      3.8124649339     -0.8647945459      0.2540037712
 C      3.7528909142      0.2986915520      0.6675873801
 C      3.2895560831      1.3890624681      1.2359762275
 C      2.5104263577      2.2407569864      1.5966680858
18
# ORCA AIMD Position Step 472, t=472.00 fs, E_Pot=-685.23768005 Hartree, Unit is Angstrom
 C      1.2287374963      2.6859390786      1.7294566668
 C      0.0027290584      2.8202398004      1.6972359212
 C     -1.3417323107      2.7355813683      1.4921123483
 C     -2.4488112460      2.4146568933      1.0244627812
 C     -3.4123545650      1.7849883075      0.3421768513
 C     -3.9306480176      0.8543312118     -0.2596573521
 C     -3.9361600028     -0.3267120441     -0.8448860409
 C     -3.3500106161     -1.3097384528     -1.2907633861
 C     -2.3081829159     -2.1066859839     -1.5629480256
 C     -1.2377585889     -2.6780515499     -1.7389208212
 C      0.0934399737     -2.9809234048     -1.6747423495
 C      1.3055443410     -2.9958646520     -1.4530040147
 C      2.5707061429     -2.6405885870     -1.0416404248
 C      3.3523339333     -1.9325956191     -0.4482494422
 C      3.8178224713     -0.8646332921      0.2517540722
 C      3.7489200530      0.2942427815      0.6713682926
 C      3.2910324082      1.3862474927      1.2353539131
 C      2.5086789193      2.2427490902      1.6029647207
18
# ORCA AIMD Position Step 473, t=473.00 fs, E_Pot=-685.23780481 Hartree, Unit is Angstrom
 C      1.2381939026      2.6859460572      1.7354803925
 C      0.0065930713      2.8208218777      1.7042176364
 C     -1.3463648691      2.7306177268      1.4975485654
 C     -2.4468302935      2.4171330652      1.0275674873
 C     -3.4133686138      1.7805657507      0.3461248441
 C     -3.9321342910      0.8617188962     -0.2600551480
 C     -3.9375311423     -0.3311550365     -0.8493688683
 C     -3.3474160935     -1.3037631066     -1.2969860101
 C     -2.3163812178     -2.0911181650     -1.5698565962
 C     -1.2376316724     -2.6782280868     -1.7460548840
 C      0.0926683248     -2.9905127845     -1.6773553059
 C      1.3038662479     -2.9997590532     -1.4547037538
 C      2.5660499615     -2.6417693405     -1.0418213074
 C      3.3583071923     -1.9328949707     -0.4521749525
 C      3.8229849305     -0.8636712869      0.2492514066
 C      3.7457920010      0.2874575853      0.6746224582
 C      3.2922834502      1.3845327455      1.2351753913
 C      2.5059875752      2.2448210128      1.6091699038
18
# ORCA AIMD Position Step 474, t=474.00 fs, E_Pot=-685.23643005 Hartree, Unit is Angstrom
 C      1.2459644540      2.6863631293      1.7416499824
 C      0.0111099223      2.8212769757      1.7112219984
 C     -1.3512189403      2.7254053956      1.5023621840
 C     -2.4434809729      2.4202116595      1.0312346353
 C     -3.4143899550      1.7761312130      0.3503517184
 C     -3.9337804962      0.8695375999     -0.2601427258
 C     -3.9386581540     -0.3361827938     -0.8543415739
 C     -3.3453895720     -1.2972151663     -1.3029413098
 C     -2.3227431335     -2.0771923695     -1.5773957795
 C     -1.2380972013     -2.6777258269     -1.7527522795
 C      0.0923144714     -2.9999421828     -1.6798128700
 C      1.3019034269     -3.0035024005     -1.4565095203
 C      2.5602878844     -2.6431897139     -1.0421292896
 C      3.3645263476     -1.9327961904     -0.4557867693
 C      3.8279207853     -0.8623048613      0.2463460271
 C      3.7434748296      0.2787867268      0.6774995156
 C      3.2930122729      1.3841846238      1.2355773238
 C      2.5031060790      2.2464652971      1.6150683131
18
# ORCA AIMD Position Step 475, t=475.00 fs, E_Pot=-685.23429201 Hartree, Unit is Angstrom
 C      1.2513914882      2.6873478755      1.7480060169
 C      0.0162359513      2.8215607778      1.7182260681
 C     -1.3554898689      2.7201278684      1.5068041326
 C     -2.4393869955      2.4236434210      1.0351966028
 C     -3.4151224072      1.7720913917      0.3551292276
 C     -3.9357662683      0.8770160902     -0.2603348411
 C     -3.9398259711     -0.3409058941     -0.8593980060
 C     -3.3440456789     -1.2901966378     -1.3087230590
 C     -2.3262180607     -2.0655952881     -1.5857742066
 C     -1.2397074149     -2.6762224285     -1.7589264027
 C      0.0921273572     -3.0091464066     -1.6821474399
 C      1.2997271185     -3.0071218133     -1.4584047796
 C      2.5538800137     -2.6445127722     -1.0422888595
 C      3.3706105953     -1.9326288314     -0.4593490000
 C      3.8326314823     -0.8610140953      0.2428580503
 C      3.7418774419      0.2689071685      0.6802591083
 C      3.2930341351      1.3852819614      1.2366116567
 C      2.5007146985      2.2472515246      1.6204833699
18
# ORCA AIMD Position Step 476, t=476.00 fs, E_Pot=-685.23262754 Hartree, Unit is Angstrom
 C      1.2540745416      2.6890156308      1.7545893889
 C      0.0217934594      2.8216481972      1.7252136964
 C     -1.3583718948      2.7149754490      1.5111500872
 C     -2.4352069129      2.4271727174      1.0391724731
 C     -3.4153178113      1.7687792335      0.3606854592
 C     -3.9382374015      0.8835342675     -0.2609668583
 C     -3.9413337706     -0.3444906073     -0.8641589408
 C     -3.3433522487     -1.2829310186     -1.3144806562
 C     -2.3261730668     -2.0567501318     -1.5951259646
 C     -1.2427120291     -2.6735483556     -1.7645391435
 C      0.0918422448     -3.0180697296     -1.6844002311
 C      1.2973802395     -3.0106492372     -1.4603816221
 C      2.5473265580     -2.6453852380     -1.0420132380
 C      3.3761512244     -1.9327624485     -0.4631488523
 C      3.8371350158     -0.8602960390      0.2385999430
 C      3.7408703259      0.2586191944      0.6832247800
 C      3.2923042247      1.3877055856      1.2382459063
 C      2.4993140113      2.2468878648      1.6252973013
18
# ORCA AIMD Position Step 477, t=477.00 fs, E_Pot=-685.23245283 Hartree, Unit is Angstrom
 C      1.2539449900      2.6914172086      1.7614299886
 C      0.0274584288      2.8215335857      1.7321668098
 C     -1.3591617290      2.7101240106      1.5156507516
 C     -2.4315224356      2.4305743933      1.0429159983
 C     -3.4148304185      1.7663768544      0.3671393283
 C     -3.9412642555      0.8887113689     -0.2622321851
 C     -3.9434479432     -0.3462486744     -0.8683110394
 C     -3.3431334102     -1.2757383112     -1.3203953620
 C     -2.3224625026     -2.0507758345     -1.6054862859
 C     -1.2470303383     -2.6697091914     -1.7695954764
 C      0.0911978485     -3.0266511550     -1.6866136244
 C      1.2948786183     -3.0141165587     -1.4624335191
 C      2.5410967595     -2.6454947393     -1.0410539538
 C      3.3807701107     -1.9335449928     -0.4674482250
 C      3.8414613729     -0.8605802731      0.2334080196
 C      3.7403090233      0.2487232264      0.6867296361
 C      3.2909183099      1.3911532214      1.2403631767
 C      2.4991378039      2.2452661338      1.6294715781
18
# ORCA AIMD Position Step 478, t=478.00 fs, E_Pot=-685.23388883 Hartree, Unit is Angstrom
 C      1.2513093601      2.6945172557      1.7685333927
 C      0.0327628831      2.8212344254      1.7390569417
 C     -1.3573795958      2.7057087723      1.5204775286
 C     -2.4287271132      2.4336869837      1.0462636743
 C     -3.4136588256      1.7648701009      0.3744502397
 C     -3.9448100479      0.8924489838     -0.2641424550
 C     -3.9463432311     -0.3457302455     -0.8716440173
 C     -3.3431185784     -1.2689652161     -1.3266353311
 C     -2.3154577302     -2.0474698644     -1.6167717846
 C     -1.2522350184     -2.6649071704     -1.7741395586
 C      0.0899700113     -3.0348174741     -1.6888219278
 C      1.2922143503     -3.0175432777     -1.4645522850
 C      2.5355569402     -2.6446246993     -1.0392468372
 C      3.3841706015     -1.9352480981     -0.4724390274
 C      3.8456337023     -0.8621311060      0.2271970597
 C      3.7400634306      0.2398867638      0.6910389478
 C      3.2891017545      1.3951714763      1.2427826486
 C      2.5001146023      2.2424896569      1.6330467233
18
# ORCA AIMD Position Step 479, t=479.00 fs, E_Pot=-685.23602578 Hartree, Unit is Angstrom
 C      1.2468345410      2.6981943893      1.7758783060
 C      0.0371251224      2.8207902936      1.7458467148
 C     -1.3528710628      2.7018022921      1.5256822938
 C     -2.4269388007      2.4364349639      1.0491740156
 C     -3.4119476790      1.7640523209      0.3824144651
 C     -3.9487304321      0.8949228726     -0.2665284824
 C     -3.9500538199     -0.3427942268     -0.8740859838
 C     -3.3430168553     -1.2628956855     -1.3333142436
 C     -2.3060335395     -2.0463150364     -1.6287842233
 C     -1.2575609192     -2.6595491848     -1.7782548153
 C      0.0879925496     -3.0424847627     -1.6910486452
 C      1.2893733451     -3.0209312506     -1.4667203347
 C      2.5309071338     -2.6426955479     -1.0365452622
 C      3.3861862553     -1.9380162393     -0.4782071126
 C      3.8496567950     -0.8649772125      0.2199940724
 C      3.7400349501      0.2325284738      0.6962917530
 C      3.2871897405      1.3991977441      1.2452768786
 C      2.5018790019      2.2388651089      1.6361410094
18
# ORCA AIMD Position Step 480, t=480.00 fs, E_Pot=-685.23753384 Hartree, Unit is Angstrom
 C      1.2414397098      2.7022672675      1.7834293461
 C      0.0399327520      2.8202567741      1.7525016897
 C     -1.3458496723      2.6984008461      1.5311860861
 C     -2.4259717639      2.4388350179      1.0517424874
 C     -3.4099513607      1.7635769626      0.3907125971
 C     -3.9528039025      0.8965257737     -0.2690816874
 C     -3.9544512790     -0.3376365031     -0.8757251521
 C     -3.3426026673     -1.2576570750     -1.3404603344
 C     -2.2954632368     -2.0465373072     -1.6412510162
 C     -1.2619732714     -2.6542166453     -1.7820631504
 C      0.0851793679     -3.0495746737     -1.6933054975
 C      1.2863432077     -3.0242673577     -1.4689120791
 C      2.5271317688     -2.6397872012     -1.0330370617
 C      3.3868201796     -1.9418364834     -0.4847173602
 C      3.8535140779     -0.8688849628      0.2119485380
 C      3.7401672573      0.2267433847      0.7024724925
 C      3.2855795665      1.4026272974      1.2476019087
 C      2.5038535441      2.2348457628      1.6389353846
18
# ORCA AIMD Position Step 481, t=481.00 fs, E_Pot=-685.23766260 Hartree, Unit is Angstrom
 C      1.2361159481      2.7065312155      1.7911500650
 C      0.0406615591      2.8196967178      1.7590040157
 C     -1.3368549588      2.6954301340      1.5368021031
 C     -2.4253943089      2.4409754379      1.0541741748
 C     -3.4079675264      1.7630442786      0.3989874856
 C     -3.9567814791      0.8977702230     -0.2714252293
 C     -3.9592645890     -0.3307450998     -0.8767941827
 C     -3.3417691397     -1.2531775629     -1.3480117814
 C     -2.2852103520     -2.0472308705     -1.6538811013
 C     -1.2643245695     -2.6495805333     -1.7857106343
 C      0.0815381386     -3.0560282105     -1.6955906940
 C      1.2831164480     -3.0275260064     -1.4710955404
 C      2.5239848396     -2.6361380217     -1.0289384506
 C      3.3862566029     -1.9465310528     -0.4918165648
 C      3.8571686147     -0.8734065432      0.2033110564
 C      3.7404496721      0.2223115677      0.7094152688
 C      3.2846605479      1.4049052965      1.2495393399
 C      2.5053837602      2.2309328230      1.6416358987
18
# ORCA AIMD Position Step 482, t=482.00 fs, E_Pot=-685.23680139 Hartree, Unit is Angstrom
 C      1.2317261240      2.7107980845      1.7990093389
 C      0.0390062010      2.8191679518      1.7653595523
 C     -1.3266507771      2.6927712821      1.5422775937
 C     -2.4246492682      2.4429743075      1.0567281283
 C     -3.4062640369      1.7620938383      0.4069189784
 C     -3.9604335410      0.8991789039     -0.2731853042
 C     -3.9641285850     -0.3227947094     -0.8776265184
 C     -3.3405372883     -1.2492118966     -1.3558329899
 C     -2.2766573214     -2.0475253178     -1.6664184239
 C     -1.2635866137     -2.6462702384     -1.7893379055
 C      0.0771747554     -3.0618116668     -1.6978922143
 C      1.2796949459     -3.0306745513     -1.4732320280
 C      2.5210168547     -2.6321184220     -1.0245693660
 C      3.3848437219     -1.9517747415     -0.4992493313
 C      3.8605682444     -0.8779764671      0.1943883355
 C      3.7409092971      0.2187846685      0.7168452473
 C      3.2847325240      1.4056156905      1.2509344339
 C      2.5058851453      2.2275609948      1.6444266627
18
# ORCA AIMD Position Step 483, t=483.00 fs, E_Pot=-685.23601988 Hartree, Unit is Angstrom
 C      1.2288373493      2.7149236525      1.8069794118
 C      0.0349966680      2.8187134145      1.7716001995
 C     -1.3161064099      2.6902900413      1.5473403159
 C     -2.4231969549      2.4449310369      1.0596497102
 C     -3.4050201147      1.7604792681      0.4142798631
 C     -3.9635804422      0.9011893606     -0.2740490131
 C     -3.9686509812     -0.3145154371     -0.8785931614
 C     -3.3390234220     -1.2454115393     -1.3637454598
 C     -2.2708096324     -2.0467696801     -1.6786825880
 C     -1.2591283573     -2.6447125942     -1.7930461817
 C      0.0722888649     -3.0669183545     -1.7001890353
 C      1.2760961254     -3.0336775045     -1.4752772033
 C      2.5176390496     -2.6281827411     -1.0203136745
 C      3.3830481115     -1.9571358003     -0.5066883277
 C      3.8636515982     -0.8820232300      0.1854945615
 C      3.7415975639      0.2156086259      0.7244312689
 C      3.2859332180      1.4045535111      1.2517290861
 C      2.5049652242      2.2249982942      1.6474228607
18
# ORCA AIMD Position Step 484, t=484.00 fs, E_Pot=-685.23601761 Hartree, Unit is Angstrom
 C      1.2276448868      2.7188168758      1.8150324941
 C      0.0290442878      2.8183610126      1.7777812308
 C     -1.3061036939      2.6878597480      1.5517361962
 C     -2.4206202352      2.4468974568      1.0631187141
 C     -3.4042922224      1.7581064680      0.4209669692
 C     -3.9661143035      0.9040886156     -0.2738130122
 C     -3.9724610181     -0.3065892141     -0.8800410096
 C     -3.3373979682     -1.2413942387     -1.3715575819
 C     -2.2680906254     -2.0446668711     -1.6905802726
 C     -1.2509345997     -2.6450059216     -1.7968796338
 C      0.0671864561     -3.0713701763     -1.7024473999
 C      1.2723394484     -3.0365001565     -1.4771884973
 C      2.5132226712     -2.6248052924     -1.0165635362
 C      3.3813860850     -1.9621314767     -0.5137796395
 C      3.8663531443     -0.8850602126      0.1769140804
 C      3.7425757674      0.2122304198      0.7318307706
 C      3.2881924800      1.4017669412      1.2519825287
 C      2.5024994016      2.2232854734      1.6506363795
18
# ORCA AIMD Position Step 485, t=485.00 fs, E_Pot=-685.23653215 Hartree, Unit is Angstrom
 C      1.2279722758      2.7224372433      1.8231323123
 C      0.0219135208      2.8181239629      1.7839770959
 C     -1.2974360277      2.6853836042      1.5552605732
 C     -2.4167161474      2.4488476720      1.0672107133
 C     -3.4039961529      1.7550542629      0.4270102845
 C     -3.9680014007      0.9079644549     -0.2724058905
 C     -3.9752629044     -0.2995368277     -0.8822384270
 C     -3.3358290547     -1.2368307548     -1.3790993775
 C     -2.2682503886     -2.0413264805     -1.7020990315
 C     -1.2397077987     -2.6468588663     -1.8008202043
 C      0.0622416934     -3.0752183845     -1.7046294493
 C      1.2684708942     -3.0391128498     -1.4789216989
 C      2.5072230564     -2.6223944944     -1.0136562816
 C      3.3803212530     -1.9663152142     -0.5201997796
 C      3.8686070197     -0.8867544271      0.1688672658
 C      3.7438993122      0.2082020976      0.7387410261
 C      3.2912428896      1.3975336754      1.2518582851
 C      2.4986339315      2.2222362772      1.6539747365
18
# ORCA AIMD Position Step 486, t=486.00 fs, E_Pot=-685.23674868 Hartree, Unit is Angstrom
 C      1.2293671824      2.7257850157      1.8312383660
 C      0.0145953884      2.8180075123      1.7902758352
 C     -1.2907287074      2.6828041942      1.5577831602
 C     -2.4115272958      2.4506781132      1.0718859525
 C     -3.4039200511      1.7515538260      0.4325629431
 C     -3.9692803356      0.9127037506     -0.2698947026
 C     -3.9768620013     -0.2936623611     -0.8853424056
 C     -3.3344402110     -1.2314925716     -1.3862494606
 C     -2.2705066449     -2.0371787547     -1.7132794210
 C     -1.2267336448     -2.6496657330     -1.8048160096
 C      0.0578670885     -3.0785473233     -1.7066977677
 C      1.2645641967     -3.0414967332     -1.4804354918
 C      2.4993088932     -2.6212033866     -1.0118022225
 C      3.3801519147     -1.9693716570     -0.5257293251
 C      3.8703589419     -0.8869594866      0.1614889849
 C      3.7456038876      0.2032455219      0.7449369668
 C      3.2946695496      1.3922919192      1.2515926972
 C      2.4937352443      2.2214859663      1.6572646054
18
# ORCA AIMD Position Step 487, t=487.00 fs, E_Pot=-685.23606926 Hartree, Unit is Angstrom
 C      1.2312389825      2.7288864203      1.8393129204
 C      0.0081203421      2.8180147948      1.7967719464
 C     -1.2863615383      2.6801089589      1.5592648293
 C     -2.4053281252      2.4522222548      1.0770032667
 C     -3.4037643449      1.7479452450      0.4378703653
 C     -3.9700490030      0.9180155899     -0.2664673142
 C     -3.9771734999     -0.2890294530     -0.8893909656
 C     -3.3332835465     -1.2252746199     -1.3929497180
 C     -2.2738114894     -2.0328097294     -1.7241866340
 C     -1.2135931858     -2.6526643119     -1.8088153752
 C      0.0544650827     -3.0814711430     -1.7086237067
 C      1.2607126002     -3.0436505134     -1.4816964554
 C      2.4894537011     -2.6212667180     -1.0110391153
 C      3.3809320896     -1.9711810124     -0.5302981240
 C      3.8715669015     -0.8857209310      0.1548148761
 C      3.7476996463      0.1972767931      0.7502980955
 C      3.2979971165      1.3865422533      1.2514477418
 C      2.4882983217      2.2205743489      1.6602937581
18
# ORCA AIMD Position Step 488, t=488.00 fs, E_Pot=-685.23451984 Hartree, Unit is Angstrom
 C      1.2329948901      2.7317788385      1.8473275846
 C      0.0033838190      2.8181481769      1.8035528774
 C     -1.2844151881      2.6773329753      1.5597675805
 C     -2.3985843392      2.4532748584      1.0823428949
 C     -3.4031989359      1.7446091563      0.4432214472
 C     -3.9704401892      0.9235073581     -0.2623857590
 C     -3.9762141884     -0.2854934646     -0.8943153795
 C     -3.3323202210     -1.2182044721     -1.3992173104
 C     -2.2771173649     -2.0288006792     -1.7348854532
 C     -1.2018684446     -2.6550909476     -1.8127880629
 C      0.0523693025     -3.0841228126     -1.7103942829
 C      1.2570253631     -3.0455939214     -1.4826822405
 C      2.4779644069     -2.6223888751     -1.0112227488
 C      3.3824438995     -1.9718416923     -0.5340011323
 C      3.8722066079     -0.8832508307      0.1487860075
 C      3.7501697809      0.1904062102      0.7548158125
 C      3.3007633902      1.3807580690      1.2516708823
 C      2.4828518830      2.2190270747      1.6628516748
18
# ORCA AIMD Position Step 489, t=489.00 fs, E_Pot=-685.23264973 Hartree, Unit is Angstrom
 C      1.2341488385      2.7344960165      1.8552642979
 C      0.0010039835      2.8184071463      1.8106838079
 C     -1.2846430423      2.6745601928      1.5594538602
 C     -2.3918961177      2.4536168059      1.0876364977
 C     -3.4019255709      1.7418958963      0.4488891268
 C     -3.9705885733      0.9287618321     -0.2579307339
 C     -3.9740839061     -0.2827463530     -0.8999631724
 C     -3.3314211927     -1.2104329765     -1.4051408620
 C     -2.2795591911     -2.0256187575     -1.7454242275
 C     -1.1929002440     -2.6563029279     -1.8167296938
 C      0.0517755671     -3.0866312359     -1.7120190602
 C      1.2536155869     -3.0473679957     -1.4833832431
 C      2.4654360609     -2.6241862965     -1.0120617805
 C      3.3842446149     -1.9716308954     -0.5370650251
 C      3.8722698019     -0.8798902062      0.1432626812
 C      3.7529732233      0.1829145756      0.7585857652
 C      3.3025785261      1.3753175985      1.2524638280
 C      2.4778780226      2.2164224156      1.6647606635
18
# ORCA AIMD Position Step 490, t=490.00 fs, E_Pot=-685.23119000 Hartree, Unit is Angstrom
 C      1.2343937370      2.7370551129      1.8631122847
 C      0.0012543152      2.8187869607      1.8181951571
 C     -1.2865036995      2.6719175422      1.5585726870
 C     -2.3859282033      2.4530416663      1.0925994657
 C     -3.3997350481      1.7400562947      0.4550704621
 C     -3.9705960366      0.9334194569     -0.2533437511
 C     -3.9709390824     -0.2803818517     -0.9061266920
 C     -3.3303832710     -1.2022108250     -1.4108668264
 C     -2.2805523619     -2.0235618287     -1.7558243161
 C     -1.1876313841     -2.6558511666     -1.8206555191
 C      0.0526905323     -3.0890959593     -1.7135329271
 C      1.2505799202     -3.0490340637     -1.4838058289
 C      2.4526634212     -2.6261611399     -1.0131736397
 C      3.3857569327     -1.9709361231     -0.5397943337
 C      3.8717614210     -0.8760538622      0.1380543420
 C      3.7560498712      0.1752056284      0.7617813061
 C      3.3031583777      1.3704693021      1.2539665727
 C      2.4737563330      2.2124379579      1.6658948273
18
# ORCA AIMD Position Step 491, t=491.00 fs, E_Pot=-685.23068825 Hartree, Unit is Angstrom
 C      1.2336610890      2.7394439673      1.8708599859
 C      0.0040354904      2.8192782932      1.8260720979
 C     -1.2892309769      2.6695651314      1.5574336072
 C     -2.3813329665      2.4513787076      1.0969642927
 C     -3.3965522751      1.7392017379      0.4618424316
 C     -3.9705065408      0.9372287781     -0.2487854505
 C     -3.9669669360     -0.2779571985     -0.9125708531
 C     -3.3289530291     -1.1938626703     -1.4165771297
 C     -2.2798210926     -2.0227411120     -1.7660743159
 C     -1.1865213484     -2.6535191495     -1.8245862864
 C      0.0548888641     -3.0915617326     -1.7149993707
 C      1.2479966248     -3.0506675017     -1.4839678030
 C      2.4405244851     -2.6277867402     -1.0141534152
 C      3.3863780242     -1.9701690027     -0.5425030533
 C      3.8706959723     -0.8721832956      0.1329481565
 C      3.7593257987      0.1677508092      0.7646198080
 C      3.3023419951      1.3663224591      1.2562492674
 C      2.4707193869      2.2068845789      1.6661929502
18
# ORCA AIMD Position Step 492, t=492.00 fs, E_Pot=-685.23129669 Hartree, Unit is Angstrom
 C      1.2321452417      2.7416127044      1.8784866077
 C      0.0089028535      2.8198693706      1.8342504505
 C     -1.2919663938      2.6676758343      1.5563638660
 C     -2.3786480343      2.4485214850      1.1005223319
 C     -3.3924583195      1.7392760476      0.4691300206
 C     -3.9702938293      0.9400769141     -0.2443172506
 C     -3.9623607306     -0.2750486213     -0.9190551362
 C     -3.3268624605     -1.1857516925     -1.4224616257
 C     -2.2774075773     -2.0230814947     -1.7761237328
 C     -1.1895151225     -2.6493360243     -1.8285382469
 C      0.0579124036     -3.0940072170     -1.7165063632
 C      1.2459240897     -3.0523496409     -1.4838960996
 C      2.4298762959     -2.6285822860     -1.0146284879
 C      3.3855755897     -1.9696948565     -0.5454609123
 C      3.8690933559     -0.8686935722      0.1277460473
 C      3.7627193140      0.1610275917      0.7673224668
 C      3.3001070070      1.3628417220      1.2593060450
 C      2.4688225041      2.1997365297      1.6656679570
18
# ORCA AIMD Position Step 493, t=493.00 fs, E_Pot=-685.23267580 Hartree, Unit is Angstrom
 C      1.2302952810      2.7434716596      1.8859595913
 C      0.0151403116      2.8205518632      1.8426247279
 C     -1.2939446429      2.6663992285      1.5556454105
 C     -2.3781700227      2.4444613126      1.1031766291
 C     -3.3876919111      1.7400598042      0.4767118078
 C     -3.9698655176      0.9419921685     -0.2399035589
 C     -3.9572916698     -0.2713137888     -0.9253624452
 C     -3.3238713425     -1.1782240788     -1.4286892557
 C     -2.2736837127     -2.0243159901     -1.7858863436
 C     -1.1960437068     -2.6435841652     -1.8325222076
 C      0.0611410954     -3.0963500971     -1.7181529944
 C      1.2443928623     -3.0541555363     -1.4836233082
 C      2.4214361337     -2.6281817253     -1.0143102229
 C      3.3829698649     -1.9697744779     -0.5488536755
 C      3.8669752110     -0.8659092557      0.1223048749
 C      3.7661505418      0.1554377131      0.7700672274
 C      3.2965845181      1.3598459783      1.2630518972
 C      2.4679220317      2.1911559895      1.6644168888
18
# ORCA AIMD Position Step 494, t=494.00 fs, E_Pot=-685.23409813 Hartree, Unit is Angstrom
 C      1.2287562443      2.7449013744      1.8932401564
 C      0.0218633167      2.8213244941      1.8510671651
 C     -1.2946503475      2.6658299622      1.5554603629
 C     -2.3798516845      2.4393086939      1.1049856515
 C     -3.3826204209      1.7412069854      0.4842570653
 C     -3.9690864238      0.9431091084     -0.2354399292
 C     -3.9518771849     -0.2665366379     -0.9313298269
 C     -3.3198093640     -1.1715461985     -1.4353814144
 C     -2.2693402247     -2.0259923707     -1.7952559084
 C     -1.2050798126     -2.6367811147     -1.8365475842
 C      0.0638938651     -3.0984656015     -1.7200356389
 C      1.2434097303     -3.0561425478     -1.4831799952
 C      2.4156702411     -2.6263877175     -1.0130366467
 C      3.3783910407     -1.9705166456     -0.5527532446
 C      3.8643611468     -0.8640208122      0.1165592633
 C      3.7695496483      0.1512391750      0.7729535782
 C      3.2920581526      1.3570158738      1.2673271724
 C      2.4676795266      2.1814865194      1.6626199499
18
# ORCA AIMD Position Step 495, t=495.00 fs, E_Pot=-685.23483838 Hartree, Unit is Angstrom
 C      1.2282484352      2.7457710886      1.9002909090
 C      0.0281656347      2.8221942464      1.8594516186
 C     -1.2939100481      2.6659871961      1.5558610269
 C     -2.3832691643      2.4332944422      1.1061762924
 C     -3.3776889157      1.7423041115      0.4913854419
 C     -3.9678115134      0.9436144781     -0.2307946006
 C     -3.9461550619     -0.2606547226     -0.9368745358
 C     -3.3146102983     -1.1658475047     -1.4425914502
 C     -2.2653265562     -2.0275101346     -1.8041280149
 C     -1.2152662218     -2.6296248889     -1.8406279475
 C      0.0655573366     -3.1002116182     -1.7222311915
 C      1.2429512138     -3.0583416860     -1.4825889774
 C      2.4127090631     -2.6232080953     -1.0108017092
 C      3.3719153026     -1.9718491008     -0.5571032242
 C      3.8612643152     -0.8630597050      0.1105348122
 C      3.7728643522      0.1485015840      0.7759782463
 C      3.2869391136      1.3539208174      1.2719149530
 C      2.4676036352      2.1712144206      1.6605246713
18
# ORCA AIMD Position Step 496, t=496.00 fs, E_Pot=-685.23463568 Hartree, Unit is Angstrom
 C      1.2294081474      2.7459620188      1.9070798894
 C      0.0332809156      2.8231715682      1.8676728133
 C     -1.2918831533      2.6668158515      1.5567783594
 C     -2.3876865010      2.4267457876      1.1071145773
 C     -3.3733552102      1.7429386534      0.4977301987
 C     -3.9659202820      0.9436868044     -0.2258550631
 C     -3.9400749626     -0.2537601258     -0.9420029955
 C     -3.3083305170     -1.1610889361     -1.4502933992
 C     -2.2627139257     -2.0282032439     -1.8124187144
 C     -1.2251155735     -2.6228967819     -1.8447837122
 C      0.0656968628     -3.1014513828     -1.7247815165
 C      1.2429501926     -3.0607533648     -1.4818653898
 C      2.4123048927     -2.6188727064     -1.0077677228
 C      3.3638788122     -1.9735054808     -0.5617140228
 C      3.8576904815     -0.8629054720      0.1043422675
 C      3.7760626987      0.1470996824      0.7790341623
 C      3.2817158560      1.3500727964      1.2765699256
 C      2.4671251544      2.1609001166      1.6584162830
18
# ORCA AIMD Position Step 497, t=497.00 fs, E_Pot=-685.23393299 Hartree, Unit is Angstrom
 C      1.2326274300      2.7453894141      1.9135820689
 C      0.0367231601      2.8242627927      1.8756556802
 C     -1.2889663318      2.6682069812      1.5580597380
 C     -2.3921966094      2.4200380270      1.1082414527
 C     -3.3700228364      1.7427704882      0.5029959402
 C     -3.9633456067      0.9434393515     -0.2205667596
 C     -3.9335092823     -0.2460684881     -0.9468003608
 C     -3.3011505671     -1.1570687409     -1.4583821803
 C     -2.2624881712     -2.0274668164     -1.8200807499
 C     -1.2332585236     -2.6173298325     -1.8490384051
 C      0.0641224511     -3.1020679813     -1.7276871405
 C      1.2432806603     -3.0633508351     -1.4810194222
 C      2.4138415892     -2.6138266530     -1.0042586913
 C      3.3548716166     -1.9750341411     -0.5662713410
 C      3.8536407401     -0.8633186420      0.0981625879
 C      3.7791305957      0.1467478553      0.7819259910
 C      3.2768782114      1.3450019286      1.2810542853
 C      2.4656980721      2.1510899941      1.6565771249
18
# ORCA AIMD Position Step 498, t=498.00 fs, E_Pot=-685.23354641 Hartree, Unit is Angstrom
 C      1.2379408556      2.7440202878      1.9197776470
 C      0.0383709266      2.8254627412      1.8833557168
 C     -1.2856634795      2.6700252186      1.5595202532
 C     -2.3958932173      2.4135379109      1.1099918651
 C     -3.3679777571      1.7415905633      0.5070090079
 C     -3.9600909557      0.9428852775     -0.2149641348
 C     -3.9262870957     -0.2378735596     -0.9514023975
 C     -3.2933568968     -1.1534532238     -1.4666893747
 C     -2.2652960476     -2.0249095042     -1.8271117179
 C     -1.2387123514     -2.6134586289     -1.8534102396
 C      0.0609029303     -3.1019741240     -1.7309042732
 C      1.2437501484     -3.0660856449     -1.4800646693
 C      2.4164017974     -2.6086939441     -1.0007277961
 C      3.3456934452     -1.9758348994     -0.5703628864
 C      3.8491194955     -0.8639938710      0.0922166851
 C      3.7820663780      0.1470575080      0.7844036315
 C      3.2728283688      1.3383507381      1.2851821742
 C      2.4629120080      2.1422171912      1.6552381364
18
# ORCA AIMD Position Step 499, t=499.00 fs, E_Pot=-685.23401386 Hartree, Unit is Angstrom
 C      1.2449921395      2.7418838769      1.9256507278
 C      0.0384675717      2.8267496105      1.8907514985
 C     -1.2824619476      2.6721352034      1.5609891899
 C     -2.3980280902      2.4075475979      1.1127173381
 C     -3.3673349464      1.7393677330      0.5097533467
 C     -3.9562387060      0.9419211672     -0.2091865233
 C     -3.9182384061     -0.2294943947     -0.9559597035
 C     -3.2853157851     -1.1498263250     -1.4750022846
 C     -2.2712255023     -2.0204847235     -1.8335555282
 C     -1.2410978814     -2.6114951394     -1.8579057429
 C      0.0563350299     -3.1011190454     -1.7343500829
 C      1.2441075672     -3.0688964541     -1.4790248262
 C      2.4189053302     -2.6041967582     -0.9976939643
 C      3.3372530164     -1.9752416333     -0.5735343088
 C      3.8441462587     -0.8646142768      0.0867332939
 C      3.7848737249      0.1476047231      0.7862028929
 C      3.2697970953      1.3299633901      1.2888564003
 C      2.4585929830      2.1345159549      1.6545370717
18
# ORCA AIMD Position Step 500, t=500.00 fs, E_Pot=-685.23525534 Hartree, Unit is Angstrom
 C      1.2530921484      2.7390733939      1.9311911323
 C      0.0375370794      2.8280856391      1.8978348035
 C     -1.2797365080      2.6744241102      1.5623449396
 C     -2.3981293596      2.4022595879      1.1166270407
 C     -3.3680050624      1.7362701279      0.5113879724
 C     -3.9519455214      0.9403350873     -0.2034746336
 C     -3.9092377135     -0.2212224496     -0.9606037979
 C     -3.2774371499     -1.1457485362     -1.4830907123
 C     -2.2797297392     -2.0145373206     -1.8394981941
 C     -1.2407072721     -2.6112864472     -1.8625186827
 C      0.0508789714     -3.0994924259     -1.7379146666
 C      1.2440676321     -3.0717182186     -1.4779365100
 C      2.4203117272     -2.6010268583     -0.9956490023
 C      3.3304000756     -1.9726532782     -0.5753762530
 C      3.8387609443     -0.8648980889      0.0819195950
 C      3.7875596082      0.1479943763      0.7870885954
 C      3.2677947638      1.3199383766      1.2920862994
 C      2.4528632534      2.1279696831      1.6544952768
18
# ORCA AIMD Position Step 501, t=501.00 fs, E_Pot=-685.23676564 Hartree, Unit is Angstrom
 C      1.2613475651      2.7357363669      1.9363989190
 C      0.0362433268      2.8294228149      1.9046033938
 C     -1.2776821953      2.6768173872      1.5635376021
 C     -2.3960632437      2.3977301481      1.1217583259
 C     -3.3696992184      1.7326485960      0.5122349407
 C     -3.9474220550      0.9378401424     -0.1981426733
 C     -3.8992347454     -0.2132750816     -0.9654217275
 C     -3.2701242028     -1.1408172989     -1.4907412600
 C     -2.2897523950     -2.0077308055     -1.8450592794
 C     -1.2383790094     -2.6123792107     -1.8672340889
 C      0.0450706133     -3.0971243273     -1.7414794224
 C      1.2433509346     -3.0744919708     -1.4768469064
 C      2.4198615262     -2.5996846584     -0.9949449073
 C      3.3257102120     -1.9676956365     -0.5756327870
 C      3.8330281283     -0.8646346496      0.0779341020
 C      3.7901304004      0.1479198678      0.7868935537
 C      3.2666168941      1.3086136967      1.2949812338
 C      2.4461296259      2.1223156739      1.6550219121
18
# ORCA AIMD Position Step 502, t=502.00 fs, E_Pot=-685.23798404 Hartree, Unit is Angstrom
 C      1.2688206298      2.7320526144      1.9412884828
 C      0.0352388250      2.8307100757      1.9110571280
 C     -1.2762820095      2.6792886478      1.5645971617
 C     -2.3920296259      2.3938796163      1.1279844254
 C     -3.3719829812      1.7289734853      0.5127276213
 C     -3.9428953729      0.9341330119     -0.1935233989
 C     -3.8882681798     -0.2057627562     -0.9704437156
 C     -3.2637166928     -1.1347270639     -1.4977945106
 C     -2.2999915489     -2.0008887397     -1.8503781479
 C     -1.2352418393     -2.6141585639     -1.8720353199
 C      0.0394270017     -3.0940784119     -1.7449361729
 C      1.2417264282     -3.0771723922     -1.4758068552
 C      2.4172725508     -2.6003427315     -0.9957028019
 C      3.3233032990     -1.9603589799     -0.5742913763
 C      3.8270395258     -0.8637042565      0.0748648728
 C      3.7925901363      0.1472119344      0.7855490677
 C      3.2659023836      1.2964883414      1.2977209136
 C      2.4389984569      2.1171115458      1.6559444515
18
# ORCA AIMD Position Step 503, t=503.00 fs, E_Pot=-685.23862714 Hartree, Unit is Angstrom
 C      1.2746757069      2.7282030088      1.9458883187
 C      0.0350434525      2.8319026823      1.9171910674
 C     -1.2753170320      2.6818619467      1.5656293480
 C     -2.3864970807      2.3905214981      1.1350512884
 C     -3.3743683525      1.7257356224      0.5133223469
 C     -3.9385623854      0.9289725617     -0.1898924248
 C     -3.8764598933     -0.1986776712     -0.9756432659
 C     -3.2584402100     -1.1273251622     -1.5041740927
 C     -2.3091824888     -1.9948202713     -1.8555952498
 C     -1.2324436912     -2.6159967488     -1.8769086785
 C      0.0343693394     -3.0904379557     -1.7482088885
 C      1.2390443171     -3.0797281147     -1.4748581556
 C      2.4127905153     -2.6028003164     -0.9977856343
 C      3.3227964605     -1.9510415375     -0.5716111968
 C      3.8208974860     -0.8620825967      0.0727273890
 C      3.7949434749      0.1458626637      0.7830975091
 C      3.2652278548      1.2841169146      1.3005082762
 C      2.4321561620      2.1118354662      1.6570576059
18
# ORCA AIMD Position Step 504, t=504.00 fs, E_Pot=-685.23868054 Hartree, Unit is Angstrom
 C      1.2782926888      2.7243439821      1.9502309698
 C      0.0359741213      2.8329676193      1.9229951238
 C     -1.2744109683      2.6845998476      1.5667983869
 C     -2.3800999742      2.3874093452      1.1426297237
 C     -3.3764183855      1.7233304773      0.5144059970
 C     -3.9345383731      0.9222729936     -0.1874010916
 C     -3.8640153884     -0.1919129914     -0.9809413505
 C     -3.2543561840     -1.1186504977     -1.5099154488
 C     -2.3163057065     -1.9901727842     -1.8608237324
 C     -1.2309493536     -2.6173676823     -1.8818463310
 C      0.0301646657     -3.0862928253     -1.7512514142
 C      1.2352504636     -3.0821421025     -1.4740340884
 C      2.4070806300     -2.6065524400     -1.0008526135
 C      3.3234088364     -1.9404778639     -0.5680667360
 C      3.8147229408     -0.8598353185      0.0714626752
 C      3.7971902221      0.1440272929      0.7796948400
 C      3.2641898238      1.2720144440      1.3035287197
 C      2.4262403305      2.1059893260      1.6581679733
18
# ORCA AIMD Position Step 505, t=505.00 fs, E_Pot=-685.23842299 Hartree, Unit is Angstrom
 C      1.2793434787      2.7205768001      1.9543446132
 C      0.0381231934      2.8338891479      1.9284524247
 C     -1.2731156723      2.6875883478      1.5682933558
 C     -2.3735225843      2.3842861052      1.1503742312
 C     -3.3778271462      1.7219721850      0.5162134798
 C     -3.9308278639      0.9141663156     -0.1860128526
 C     -3.8511959945     -0.1852914187     -0.9862273898
 C     -3.2513446656     -1.1089520550     -1.5151651384
 C     -2.3207158223     -1.9873468794     -1.8661364316
 C     -1.2314230225     -2.6179061364     -1.8868439720
 C      0.0269111097     -3.0817270033     -1.7540544181
 C      1.2303919107     -3.0844040570     -1.4733473839
 C      2.4010204260     -2.6109305685     -1.0044543888
 C      3.3241589995     -1.9295950076     -0.5642556502
 C      3.8086442275     -0.8570992357      0.0709546474
 C      3.7993274100      0.1419988847      0.7755867032
 C      3.2624709859      1.2605885257      1.3069211416
 C      2.4217322071      2.0991866114      1.6591369168
18
# ORCA AIMD Position Step 506, t=506.00 fs, E_Pot=-685.23824741 Hartree, Unit is Angstrom
 C      1.2778259649      2.7169210110      1.9582442896
 C      0.0413743637      2.8346725675      1.9335380187
 C     -1.2710185029      2.6909071535      1.5702940450
 C     -2.3673708434      2.3809334189      1.1579799568
 C     -3.3784657819      1.7216482285      0.5187899663
 C     -3.9273191455      0.9050380344     -0.1854797122
 C     -3.8382932169     -0.1786098270     -0.9913837948
 C     -3.2491210036     -1.0986758353     -1.5201719967
 C     -2.3221714261     -1.9864718262     -1.8715542518
 C     -1.2341872404     -2.6174263595     -1.8918998676
 C      0.0245449227     -3.0768098746     -1.7566423323
 C      1.2246022540     -3.0865028612     -1.4727932682
 C      2.3955079417     -2.6152442039     -1.0081262968
 C      3.3240532124     -1.9193659472     -0.5608026238
 C      3.8027917789     -0.8540525833      0.0710533559
 C      3.8013533579      0.1401621291      0.7710803124
 C      3.2598675980      1.2501111880      1.3107732246
 C      2.4188921671      2.0912152676      1.6598916107
18
# ORCA AIMD Position Step 507, t=507.00 fs, E_Pot=-685.23829692 Hartree, Unit is Angstrom
 C      1.2740703987      2.7133238336      1.9619200835
 C      0.0454235314      2.8353419758      1.9382311852
 C     -1.2678471545      2.6946096602      1.5729248180
 C     -2.3620725357      2.3772027561      1.1652276268
 C     -3.3783717024      1.7221404720      0.5220008494
 C     -3.9238107092      0.8954941815     -0.1853675946
 C     -3.8256096680     -0.1716798892     -0.9963125126
 C     -3.2472730098     -1.0884149024     -1.5252567395
 C     -2.3208179712     -1.9874041955     -1.8770465285
 C     -1.2392151955     -2.6159321467     -1.8970121359
 C      0.0228647660     -3.0715908408     -1.7590611244
 C      1.2180890966     -3.0884256607     -1.4723472534
 C      2.3912942135     -2.6188884881     -1.0114659294
 C      3.3222419260     -1.9106685907     -0.5582638250
 C      3.7972835244     -0.8509031556      0.0715843961
 C      3.8032738535      0.1389214939      0.7665068626
 C      3.2563134602      1.2407231393      1.3151014293
 C      2.4177299906      2.0820464262      1.6604511734
18
# ORCA AIMD Position Step 508, t=508.00 fs, E_Pot=-685.23847910 Hartree, Unit is Angstrom
 C      1.2687049293      2.7096569573      1.9653435972
 C      0.0498188757      2.8359420318      1.9425147184
 C     -1.2635455434      2.6986955375      1.5762285136
 C     -2.3578137486      2.3730389169      1.1720095632
 C     -3.3777017043      1.7230909696      0.5255866774
 C     -3.9200625989      0.8862825977     -0.1851189277
 C     -3.8134136298     -0.1643802137     -1.0009646602
 C     -3.2453408540     -1.0788150259     -1.5307596466
 C     -2.3171518326     -1.9897656623     -1.8825469498
 C     -1.2461378653     -2.6136096368     -1.9021784555
 C      0.0215704560     -3.0661006359     -1.7613725068
 C      1.2111181309     -3.0901473167     -1.4719650599
 C      2.3888932644     -2.6214273526     -1.0141807543
 C      3.3181134458     -1.9041772933     -0.5570641066
 C      3.7922178309     -0.8478726408      0.0723640250
 C      3.8051019707      0.1386433296      0.7621740649
 C      3.2518766740      1.2324289151      1.3198681522
 C      2.4180051757      2.0718545624      1.6609155134
18
# ORCA AIMD Position Step 509, t=509.00 fs, E_Pot=-685.23860303 Hartree, Unit is Angstrom
 C      1.2625760349      2.7057357715      1.9684753235
 C      0.0540083763      2.8365376393      1.9463753673
 C     -1.2582992546      2.7031011803      1.5801633025
 C     -2.3545282134      2.3684830819      1.1783255466
 C     -3.3766680327      1.7240943117      0.5292478578
 C     -3.9158437593      0.8781794670     -0.1841493492
 C     -3.8019030134     -0.1566970243     -1.0053595895
 C     -3.2429065373     -1.0704616944     -1.5369852773
 C     -2.3119649410     -1.9929894785     -1.8879696758
 C     -1.2542710764     -2.6108179073     -1.9073993692
 C      0.0203093855     -3.0603550788     -1.7636459194
 C      1.2040077180     -3.0916289960     -1.4715826229
 C      2.3885237168     -2.6226354534     -1.0161190963
 C      3.3113428038     -1.9002895138     -0.5574543863
 C      3.7876610019     -0.8451690147      0.0732228746
 C      3.8068566187      0.1395911070      0.7583225700
 C      3.2467543564      1.2251035405      1.3249854630
 C      2.4192700488      2.0609920642      1.6614558682
18
# ORCA AIMD Position Step 510, t=510.00 fs, E_Pot=-685.23843851 Hartree, Unit is Angstrom
 C      1.2566322367      2.7013563413      1.9712683176
 C      0.0574212293      2.8372050221      1.9498161977
 C     -1.2525106724      2.7077108609      1.5846046961
 C     -2.3519484918      2.3636493125      1.1842695326
 C     -3.3754614216      1.7247956680      0.5327192661
 C     -3.9109823054      0.8718636490     -0.1819384952
 C     -3.7911746895     -0.1487439384     -1.0096069337
 C     -3.2396623230     -1.0637816634     -1.5441419912
 C     -2.3062657010     -1.9963764780     -1.8932319466
 C     -1.2626857588     -2.6080599617     -1.9126757838
 C      0.0187346242     -3.0543593010     -1.7659484422
 C      1.1971048776     -3.0928215812     -1.4711224782
 C      2.3900766456     -2.6225202519     -1.0172870748
 C      3.3019290433     -1.8990712215     -0.5594718123
 C      3.7836357728     -0.8429800444      0.0740121836
 C      3.8085623237      0.1418802303      0.7550909606
 C      3.2412563727      1.2185123256      1.3303247960
 C      2.4209226772      2.0499432097      1.6623006874
18
# ORCA AIMD Position Step 511, t=511.00 fs, E_Pot=-685.23800402 Hartree, Unit is Angstrom
 C      1.2517687785      2.6963211607      1.9736831110
 C      0.0595732337      2.8380217364      1.9528555925
 C     -1.2467284382      2.7123689520      1.5893773421
 C     -2.3496877719      2.3586965304      1.1899856346
 C     -3.3741969199      1.7249682508      0.5358415438
 C     -3.9053916546      0.8678078223     -0.1781263024
 C     -3.7812171926     -0.1407525734     -1.0138835808
 C     -3.2354580826     -1.0589680733     -1.5523084831
 C     -2.3011484170     -1.9991912808     -1.8982681239
 C     -1.2703336667     -2.6059155460     -1.9180139658
 C      0.0165641868     -3.0481180203     -1.7683336152
 C      1.1907472534     -3.0936628372     -1.4705026084
 C      2.3931101140     -2.6213375203     -1.0178564988
 C      3.2902070858     -1.9002319131     -0.5629307977
 C      3.7801193540     -0.8414548192      0.0746178131
 C      3.8102467940      0.1454474940      0.7524991564
 C      3.2357647525      1.2123518098      1.3357328906
 C      2.4222921341      2.0392688488      1.6637042975
18
# ORCA AIMD Position Step 512, t=512.00 fs, E_Pot=-685.23753492 Hartree, Unit is Angstrom
 C      1.2486660240      2.6904762468      1.9756923762
 C      0.0601783705      2.8390539876      1.9555280525
 C     -1.2415538299      2.7169077768      1.5942889473
 C     -2.3473415235      2.3537958290      1.1956277769
 C     -3.3728804190      1.7245529505      0.5385989371
 C     -3.8990772597      0.8662046346     -0.1725762071
 C     -3.7719262175     -0.1330289274     -1.0183983241
 C     -3.2303166045     -1.0559582941     -1.5614269994
 C     -2.2976135231     -2.0007818119     -1.9030426426
 C     -1.2762336431     -2.6049364620     -1.9234256130
 C      0.0136393330     -3.0416459308     -1.7708304401
 C      1.1852159267     -3.0940859704     -1.4696523513
 C      2.3968659889     -2.6195885468     -1.0181603342
 C      3.2768435887     -1.9031381541     -0.5674306030
 C      3.7770474562     -0.8406871657      0.0749689313
 C      3.8119406420      0.1500547704      0.7504489453
 C      3.2306749764      1.2063110755      1.3410628516
 C      2.4227386512      2.0295200208      1.6659113859
18
# ORCA AIMD Position Step 513, t=513.00 fs, E_Pot=-685.23729327 Hartree, Unit is Angstrom
 C      1.2476601592      2.6837421972      1.9772848991
 C      0.0592340848      2.8403411977      1.9578830045
 C     -1.2375483039      2.7211719268      1.5991608575
 C     -2.3445762804      2.3490998588      1.2013216491
 C     -3.3713954990      1.7236761732      0.5411351698
 C     -3.8921355263      0.8669310326     -0.1654120823
 C     -3.7631409111     -0.1258885474     -1.0233413299
 C     -3.2244186282     -1.0544597460     -1.5713171639
 C     -2.2963531257     -2.0007155024     -1.9075594146
 C     -1.2796960425     -2.6055185770     -1.9289249310
 C      0.0099686444     -3.0349784064     -1.7734345608
 C      1.1806900042     -3.0940280535     -1.4685284101
 C      2.4003354094     -2.6179849837     -1.0186650333
 C      3.2627859567     -1.9068771072     -0.5723945438
 C      3.7743296356     -0.8407023897      0.0750425325
 C      3.8136776916      0.1553156674      0.7487421086
 C      3.2263194079      1.2001492214      1.3462043998
 C      2.4217581113      2.0211449524      1.6691181589
18
# ORCA AIMD Position Step 514, t=514.00 fs, E_Pot=-685.23737878 Hartree, Unit is Angstrom
 C      1.2486820122      2.6761341547      1.9784688172
 C      0.0570433053      2.8418852433      1.9599795457
 C     -1.2351528079      2.7250396835      1.6038535467
 C     -2.3411933119      2.3447207678      1.2071402991
 C     -3.3695120428      1.7226395417      0.5437418045
 C     -3.8847434171      0.8695575975     -0.1570162973
 C     -3.7546860649     -0.1195889440     -1.0288356771
 C     -3.2180684126     -1.0540100648     -1.5817098663
 C     -2.2975713558     -1.9988907186     -1.9118666743
 C     -1.2805146078     -2.6077920212     -1.9345242374
 C      0.0057466898     -3.0281803489     -1.7761042056
 C      1.1772163046     -3.0934404797     -1.4671288256
 C      2.4023955724     -2.6173528619     -1.0199049216
 C      3.2491415445     -1.9103853648     -0.5771506385
 C      3.7718659142     -0.8414565917      0.0748595341
 C      3.8154926318      0.1607475529      0.7471158564
 C      3.2228957735      1.1937672081      1.3511102699
 C      2.4190757874      2.0144033977      1.6734367044
18
# ORCA AIMD Position Step 515, t=515.00 fs, E_Pot=-685.23774410 Hartree, Unit is Angstrom
 C      1.2512827804      2.6677675738      1.9792741125
 C      0.0541522540      2.8436488702      1.9618783293
 C     -1.2346205059      2.7284404578      1.6082880020
 C     -2.3371623332      2.3407183782      1.2130933831
 C     -3.3669178351      1.7218734288      0.5468176078
 C     -3.8771374272      0.8734093074     -0.1479842821
 C     -3.7464095100     -0.1142763046     -1.0349060612
 C     -3.2116475836     -1.0540539934     -1.5922909450
 C     -2.3009236658     -1.9955759584     -1.9160559372
 C     -1.2790356546     -2.6115780700     -1.9402309593
 C      0.0013330976     -3.0213474331     -1.7787657384
 C      1.1747035047     -3.0922990414     -1.4654986736
 C      2.4020214138     -2.6184688713     -1.0223751374
 C      3.2369796544     -1.9126435984     -0.5810526094
 C      3.7695618916     -0.8428497639      0.0744721044
 C      3.8174167332      0.1658424775      0.7452887116
 C      3.2204246835      1.1872433745      1.3558085213
 C      2.4147046026      2.0093129788      1.6788725362
18
# ORCA AIMD Position Step 516, t=516.00 fs, E_Pot=-685.23833338 Hartree, Unit is Angstrom
 C      1.2547333501      2.6588475749      1.9797534211
 C      0.0512195323      2.8455636195      1.9636312256
 C     -1.2359663518      2.7313660907      1.6124607229
 C     -2.3326251103      2.3370970955      1.2191275817
 C     -3.3632775864      1.7218560240      0.5508000871
 C     -3.8695758767      0.8776770093     -0.1390348587
 C     -3.7382104137     -0.1099601408     -1.0414674219
 C     -3.2055632069     -1.0540218454     -1.6027478359
 C     -2.3056142608     -1.9913479936     -1.9202528116
 C     -1.2760595528     -2.6164402489     -1.9460496577
 C     -0.0028118839     -3.0145997781     -1.7813259265
 C      1.1729408814     -3.0906126375     -1.4637250902
 C      2.3985476682     -2.6218519237     -1.0263981739
 C      3.2270801543     -1.9129095467     -0.5836260771
 C      3.7673402768     -0.8447516974      0.0739469895
 C      3.8194712939      0.1701461486      0.7430102692
 C      3.2187580235      1.1808155064      1.3603919974
 C      2.4089471275      2.0056456731      1.6853242639
18
# ORCA AIMD Position Step 517, t=517.00 fs, E_Pot=-685.23899865 Hartree, Unit is Angstrom
 C      1.2581641504      2.6496444785      1.9799807732
 C      0.0488638130      2.8475439591      1.9652717237
 C     -1.2389469603      2.7338762511      1.6164502622
 C     -2.3278717405      2.3338130895      1.2251407086
 C     -3.3583104410      1.7230008645      0.5560670896
 C     -3.8622871412      0.8815659676     -0.1308832403
 C     -3.7300512084     -0.1065135421     -1.0483368615
 C     -3.2001919770     -1.0534090546     -1.6128134286
 C     -2.3106148866     -1.9869511892     -1.9246001020
 C     -1.2726223685     -2.6218034244     -1.9519813127
 C     -0.0062166570     -3.0080686255     -1.7836915041
 C      1.1716360623     -3.0884279926     -1.4619280531
 C      2.3918865072     -2.6275834490     -1.0320071983
 C      3.2197225177     -1.9109124534     -0.5846920931
 C      3.7651461203     -0.8470285893      0.0733464965
 C      3.8216579499      0.1733283753      0.7401064442
 C      3.2176340987      1.1748112839      1.3649866166
 C      2.4023409883      2.0029799024      1.6926053346
18
# ORCA AIMD Position Step 518, t=518.00 fs, E_Pot=-685.23941769 Hartree, Unit is Angstrom
 C      1.2607108094      2.6404591013      1.9800460273
 C      0.0475369572      2.8495029218      1.9668096219
 C     -1.2430810438      2.7360935416      1.6204098114
 C     -2.3232913638      2.3307890161      1.2310053583
 C     -3.3518746643      1.7255359184      0.5628326310
 C     -3.8554097882      0.8844524066     -0.1241071984
 C     -3.7219577187     -0.1036937348     -1.0552594423
 C     -3.1958271014     -1.0518451348     -1.6222996271
 C     -2.3149097193     -1.9831293609     -1.9292349310
 C     -1.2697449572     -2.6270916222     -1.9580241897
 C     -0.0085000109     -3.0018773421     -1.7857897025
 C      1.1704572955     -3.0858308672     -1.4602465449
 C      2.3825860628     -2.6352539431     -1.0389125114
 C      3.2146278468     -1.9069129282     -0.5844051848
 C      3.7629511725     -0.8495646372      0.0727168386
 C      3.8239497709      0.1752308290      0.7365099857
 C      3.2167574934      1.1695546192      1.3697093282
 C      2.3955604638      2.0007885113      1.7004813048
18
# ORCA AIMD Position Step 519, t=519.00 fs, E_Pot=-685.23922587 Hartree, Unit is Angstrom
 C      1.2616445010      2.6315803811      1.9800459455
 C      0.0474483065      2.8513673450      1.9682314468
 C     -1.2477164982      2.7381876211      1.6245470434
 C     -2.3192977480      2.3279391873      1.2366016434
 C     -3.3440337080      1.7294099944      0.5710654871
 C     -3.8489451500      0.8860020599     -0.1190414692
 C     -3.7140079343     -0.1011750365     -1.0619400673
 C     -3.1926331447     -1.0491444822     -1.6311198516
 C     -2.3176950929     -1.9804783910     -1.9342675296
 C     -1.2682292581     -2.6318380838     -1.9641734110
 C     -0.0094599303     -2.9961231734     -1.7875872233
 C      1.1690744245     -3.0829410064     -1.4588228577
 C      2.3716987422     -2.6440674970     -1.0465679530
 C      3.2110826703     -1.9015972957     -0.5831884499
 C      3.7607481322     -0.8522769043      0.0720810866
 C      3.8262878398      0.1758811607      0.7322703101
 C      3.2158779093      1.1652821502      1.3746311187
 C      2.3892992554      1.9985379255      1.7087125218
18
# ORCA AIMD Position Step 520, t=520.00 fs, E_Pot=-685.23828413 Hartree, Unit is Angstrom
 C      1.2604732704      2.6232428974      1.9800715252
 C      0.0485454658      2.8530901805      1.9695066895
 C     -1.2521377032      2.7403479383      1.6290900052
 C     -2.3162359639      2.3252036329      1.2418568464
 C     -3.3350828898      1.7342647651      0.5804627424
 C     -3.8427440892      0.8862122071     -0.1157380123
 C     -3.7063122681     -0.0985920177     -1.0680770464
 C     -3.1906236038     -1.0453241467     -1.6392934789
 C     -2.3184970547     -1.9793520776     -1.9397656432
 C     -1.2685399763     -2.6357476076     -1.9704194671
 C     -0.0091264424     -2.9908651088     -1.7891011722
 C      1.1671918680     -3.0799026594     -1.4577893476
 C      2.3605362317     -2.6530432828     -1.0542994615
 C      3.2081669203     -1.8958733420     -0.5816067642
 C      3.7585458767     -0.8551149372      0.0714423646
 C      3.8285836584      0.1754695912      0.7275389812
 C      3.2148428076      1.1620931706      1.3797566190
 C      2.3841592149      1.9957735817      1.7170938522
18
# ORCA AIMD Position Step 521, t=521.00 fs, E_Pot=-685.23678289 Hartree, Unit is Angstrom
 C      1.2570058649      2.6155920308      1.9801965583
 C      0.0505448534      2.8546577337      1.9705972597
 C     -1.2556960555      2.7427477929      1.6342452828
 C     -2.3142861456      2.3225862630      1.2467841708
 C     -3.3255247359      1.7394845920      0.5904873116
 C     -3.8365385473      0.8853695918     -0.1139948309
 C     -3.6989889875     -0.0955899181     -1.0733972384
 C     -3.1896687398     -1.0405819114     -1.6469299317
 C     -2.3172089582     -1.9798265304     -1.9457492274
 C     -1.2707726211     -2.6387138249     -1.9767481773
 C     -0.0077627201     -2.9861213268     -1.7904001294
 C      1.1645764804     -3.0768719070     -1.4572568007
 C      2.3504212490     -2.6612194756     -1.0614373368
 C      3.2049715296     -1.8906642959     -0.5802374474
 C      3.7563671888     -0.8580432883      0.0707968064
 C      3.8307293639      0.1742910879      0.7225335615
 C      3.2136156790      1.1599406721      1.3850223063
 C      2.3805641591      1.9921799693      1.7254822408
18
# ORCA AIMD Position Step 522, t=522.00 fs, E_Pot=-685.23514344 Hartree, Unit is Angstrom
 C      1.2513794110      2.6086620142      1.9804697691
 C      0.0529887897      2.8560929423      1.9714678159
 C     -1.2579298811      2.7455105442      1.6401587266
 C     -2.3133957924      2.3201811549      1.2515059597
 C     -3.3159999286      1.7443050009      0.6004556087
 C     -3.8300032081      0.8839510252     -0.1134341437
 C     -3.6921382246     -0.0918781573     -1.0776904824
 C     -3.1895333741     -1.0352401374     -1.6541942571
 C     -2.3140702861     -1.9817122337     -1.9521939881
 C     -1.2746858620     -2.6408084183     -1.9831421609
 C     -0.0058197267     -2.9818760562     -1.7915965104
 C      1.1610916576     -3.0739977273     -1.4573012445
 C      2.3424984314     -2.6677942130     -1.0674109294
 C      3.2007395741     -1.8867645274     -0.5795814775
 C      3.7542437116     -0.8610247033      0.0701463571
 C      3.8326117461      0.1726731252      0.7174919073
 C      3.2122688431      1.1586558886      1.3903112466
 C      2.3787091352      1.9876112946      1.7338093569
18
# ORCA AIMD Position Step 523, t=523.00 fs, E_Pot=-685.23390023 Hartree, Unit is Angstrom
 C      1.2440423160      2.6023738809      1.9809136879
 C      0.0553166909      2.8574553385      1.9720949174
 C     -1.2586408850      2.7486859617      1.6468894501
 C     -2.3132679467      2.3181784114      1.2562504094
 C     -3.3071959709      1.7479393646      0.6096474951
 C     -3.8228207343      0.8825075848     -0.1136012531
 C     -3.6858209026     -0.0872790037     -1.0808375233
 C     -3.1899340287     -1.0296634263     -1.6612629411
 C     -2.3096085769     -1.9846017300     -1.9590402686
 C     -1.2797734165     -2.6422513324     -1.9895848444
 C     -0.0038593339     -2.9780941283     -1.7928305558
 C      1.1567382786     -3.0714014555     -1.4579510157
 C      2.3376013580     -2.6722036638     -1.0718067059
 C      3.1949431549     -1.8847560763     -0.5800088301
 C      3.7522086248     -0.8640092233      0.0695037926
 C      3.8341238570      0.1709062675      0.7126296012
 C      3.2109626665      1.1579867957      1.3954735916
 C      2.3785495232      1.9820945399      1.7420801090
18
# ORCA AIMD Position Step 524, t=524.00 fs, E_Pot=-685.23351069 Hartree, Unit is Angstrom
 C      1.2356911150      2.5965557410      1.9815293850
 C      0.0569431056      2.8588347779      1.9724735905
 C     -1.2579084384      2.7522468129      1.6544017817
 C     -2.3134209872      2.3168379013      1.2613146497
 C     -3.2997456234      1.7497007655      0.6174140778
 C     -3.8147413086      0.8815579433     -0.1140537660
 C     -3.6800449987     -0.0817618771     -1.0828261122
 C     -3.1905999629     -1.0241781101     -1.6682759266
 C     -2.3045560145     -1.9879348762     -1.9662093470
 C     -1.2853546726     -2.6433731483     -1.9960611592
 C     -0.0024694986     -2.9747357021     -1.7942516534
 C      1.1516874553     -3.0691606781     -1.4591759885
 C      2.3361580479     -2.6741651195     -1.0744072717
 C      3.1873310466     -1.8849519406     -0.5817195287
 C      3.7502872207     -0.8669372996      0.0688912559
 C      3.8351736008      0.1691990652      0.7081110496
 C      3.2099214394      1.1576347727      1.4003437779
 C      2.3798271149      1.9758098320      1.7503566286
18
# ORCA AIMD Position Step 525, t=525.00 fs, E_Pot=-685.23417506 Hartree, Unit is Angstrom
 C      1.2271628774      2.5909820253      1.9823055981
 C      0.0573475339      2.8603384896      1.9726209477
 C     -1.2560503904      2.7561010614      1.6625766333
 C     -2.3133100533      2.3164356195      1.2669984880
 C     -3.2941220930      1.7491070435      0.6232791838
 C     -3.8056244675      0.8815059598     -0.1144359716
 C     -3.6747630976     -0.0754585541     -1.0837574535
 C     -3.1913176355     -1.0190107664     -1.6753013474
 C     -2.2997503241     -1.9910795242     -1.9736109175
 C     -1.2906807457     -2.6445613645     -2.0025581706
 C     -0.0021785350     -2.9717700603     -1.7959982358
 C      1.1462850676     -3.0673000128     -1.4608865238
 C      2.3381245924     -2.6737085844     -1.0752176109
 C      3.1779702299     -1.8873476774     -0.5847102482
 C      3.7484860502     -0.8697549658      0.0683271163
 C      3.8356864852      0.1676613381      0.7040400949
 C      3.2094051435      1.1572871648      1.4047540988
 C      2.3821264295      1.9690517289      1.7587345186
18
# ORCA AIMD Position Step 526, t=526.00 fs, E_Pot=-685.23561904 Hartree, Unit is Angstrom
 C      1.2192888267      2.5854205095      1.9832267111
 C      0.0561797619      2.8620712452      1.9725784812
 C     -1.2535480491      2.7601195887      1.6712357947
 C     -2.3124768876      2.3171910981      1.2735261101
 C     -3.2905437806      1.7459677866      0.6270283209
 C     -3.7954623963      0.8825787276     -0.1145346602
 C     -3.6698793516     -0.0686497200     -1.0838336592
 C     -3.1919544604     -1.0142572851     -1.6823207225
 C     -2.2960054551     -1.9934253763     -1.9811558471
 C     -1.2950667145     -2.6461889482     -2.0090650149
 C     -0.0033711668     -2.9691845533     -1.7981747814
 C      1.1410031063     -3.0657930016     -1.4629486374
 C      2.3429532995     -2.6712029442     -1.0744847351
 C      3.1672826472     -1.8915781968     -0.5887455220
 C      3.7467841362     -0.8724330254      0.0678119497
 C      3.8356075815      0.1663106024      0.7004635307
 C      3.2096737668      1.1566539288      1.4085509018
 C      2.3849541859      1.9621708991      1.7673159184
18
# ORCA AIMD Position Step 527, t=527.00 fs, E_Pot=-685.23702457 Hartree, Unit is Angstrom
 C      1.2127324810      2.5796794640      1.9842804904
 C      0.0533615995      2.8641118423      1.9724116944
 C     -1.2509564005      2.7641676749      1.6801789665
 C     -2.3106783888      2.3192060885      1.2809852793
 C     -3.2889101743      1.7404365728      0.6287710312
 C     -3.7843830637      0.8847866515     -0.1143204106
 C     -3.6652645085     -0.0617201838     -1.0833317973
 C     -3.1924606965     -1.0098836987     -1.6892385591
 C     -2.2939637653     -1.9944910647     -1.9887680011
 C     -1.2980420743     -2.6485272332     -2.0155762841
 C     -0.0062109637     -2.9669898873     -1.8008326802
 C      1.1363355867     -3.0645719732     -1.4652154219
 C      2.3496245518     -2.6673578645     -1.0726954225
 C      3.1560509999     -1.8969087059     -0.5933527389
 C      3.7451309939     -0.8749790363      0.0673210218
 C      3.8349035042      0.1650925295      0.6973795443
 C      3.2109410257      1.1555071212      1.4116168661
 C      2.3878322674      1.9555028470      1.7761846402
18
# ORCA AIMD Position Step 528, t=528.00 fs, E_Pot=-685.23737189 Hartree, Unit is Angstrom
 C      1.2078650597      2.5736414341      1.9854620857
 C      0.0491435306      2.8664934673      1.9722066065
 C     -1.2488155172      2.7681358946      1.6892224817
 C     -2.3079500634      2.3224353897      1.2893065807
 C     -3.2888007950      1.7330117939      0.6289534771
 C     -3.7726355991      0.8879061282     -0.1139698846
 C     -3.6607762661     -0.0550928260     -1.0825617685
 C     -3.1928539074     -1.0057553084     -1.6959123360
 C     -2.2939672000     -1.9940129259     -1.9963974834
 C     -1.2994784696     -2.6516698537     -2.0220972514
 C     -0.0105924051     -2.9652221248     -1.8039576818
 C      1.1326751860     -3.0635446117     -1.4675655168
 C      2.3567667499     -2.6631700545     -1.0705329006
 C      3.1453553558     -1.9022944857     -0.5978625696
 C      3.7434549179     -0.8774336628      0.0668077302
 C      3.8335624392      0.1639074015      0.6947505098
 C      3.2133293019      1.1537203503      1.4138936342
 C      2.3903857624      1.9492963748      1.7853878798
18
# ORCA AIMD Position Step 529, t=529.00 fs, E_Pot=-685.23622544 Hartree, Unit is Angstrom
 C      1.2047234868      2.5672766298      1.9867756514
 C      0.0440823924      2.8691955370      1.9720624334
 C     -1.2475746808      2.7719625119      1.6982314474
 C     -2.3045941209      2.3266979232      1.2982853042
 C     -3.2895441168      1.7244762839      0.6283081987
 C     -3.7605594336      0.8914972039     -0.1138586059
 C     -3.6562826262     -0.0491590265     -1.0818223520
 C     -3.1931931159     -1.0016842865     -1.7021892050
 C     -2.2960026349     -1.9919824302     -2.0040276677
 C     -1.2996397146     -2.6554984003     -2.0286482686
 C     -0.0161441828     -2.9639422526     -1.8074698518
 C      1.1302198487     -3.0626136667     -1.4699339366
 C      2.3628664370     -2.6597890943     -1.0687797984
 C      3.1364207771     -1.9065328254     -0.6015076937
 C      3.7416798095     -0.8798530252      0.0662173856
 C      3.8315927292      0.1626362649      0.6925177131
 C      3.2168389024      1.1512939486      1.4153963180
 C      2.3924041581      1.9436643888      1.7949237045
18
# ORCA AIMD Position Step 530, t=530.00 fs, E_Pot=-685.23437039 Hartree, Unit is Angstrom
 C      1.2030629884      2.5606324899      1.9882323310
 C      0.0389406248      2.8721502139      1.9720819487
 C     -1.2475354142      2.7756445911      1.7071382797
 C     -2.3011159962      2.3317137343      1.3076266184
 C     -3.2903354749      1.7157862476      0.6277512490
 C     -3.7485432942      0.8949665934     -0.1145139011
 C     -3.6516807403     -0.0442270972     -1.0813630117
 C     -3.1935469432     -0.9974853848     -1.7079416368
 C     -2.2997452749     -1.9886163783     -2.0116725733
 C     -1.2991267309     -2.6597067532     -2.0352642575
 C     -0.0222886481     -2.9632314854     -1.8112383510
 C      1.1289413491     -3.0616938376     -1.4723241052
 C      2.3665748469     -2.6582738710     -1.0681558993
 C      3.1303547381     -1.9085296554     -0.6035914060
 C      3.7397446070     -0.8822839855      0.0655041406
 C      3.8290191914      0.1611650475      0.6906185602
 C      3.2213421823      1.1483562290      1.4162148531
 C      2.3938599590      1.9385717390      1.8047361531
18
# ORCA AIMD Position Step 531, t=531.00 fs, E_Pot=-685.23332604 Hartree, Unit is Angstrom
 C      1.2024700611      2.5538099257      1.9898481104
 C      0.0345391686      2.8752586767      1.9723596476
 C     -1.2488176766      2.7792375780      1.7159443370
 C     -2.2981404207      2.3371482813      1.3169948421
 C     -3.2903736364      1.7079228319      0.6282342235
 C     -3.7369704202      0.8976808590     -0.1165124346
 C     -3.6469126171     -0.0404948137     -1.0813640646
 C     -3.1939646230     -0.9930300718     -1.7130938082
 C     -2.3046716237     -1.9842788855     -2.0193636097
 C     -1.2987372737     -2.6638710195     -2.0419881533
 C     -0.0283475189     -2.9631809575     -1.8151064568
 C      1.1286145476     -3.0607242636     -1.4748001433
 C      2.3670396338     -2.6592983755     -1.0691254058
 C      3.1278377472     -1.9076160588     -0.6036865179
 C      3.7376226776     -0.8847402703      0.0646480010
 C      3.8258805575      0.1594047013      0.6890000826
 C      3.2266047490      1.1451385229      1.4164990507
 C      2.3948805367      1.9338587722      1.8147196185
18
# ORCA AIMD Position Step 532, t=532.00 fs, E_Pot=-685.23402393 Hartree, Unit is Angstrom
 C      1.2024909619      2.5469380368      1.9916392797
 C      0.0316048820      2.8784070905      1.9729693089
 C     -1.2513456365      2.7828405974      1.7247039453
 C     -2.2963212652      2.3426536042      1.3260513889
 C     -3.2890043658      1.7017109747      0.6305588416
 C     -3.7261519542      0.8991284932     -0.1203230689
 C     -3.6419782945     -0.0380401461     -1.0819291980
 C     -3.1944546216     -0.9882917505     -1.7176354106
 C     -2.3101892791     -1.9793916062     -2.0271304946
 C     -1.2992847657     -2.6675369828     -2.0488533861
 C     -0.0336712477     -2.9638742775     -1.8189191610
 C      1.1288830017     -3.0596769550     -1.4774645043
 C      2.3641357494     -2.6629301514     -1.0717527223
 C      3.1288973898     -1.9037887755     -0.6017869728
 C      3.7353368309     -0.8871856477      0.0636654215
 C      3.8222306278      0.1573112648      0.6876344815
 C      3.2323188172      1.1419345326      1.4164355000
 C      2.3956934531      1.9292953345      1.8247216520
18
# ORCA AIMD Position Step 533, t=533.00 fs, E_Pot=-685.23602508 Hartree, Unit is Angstrom
 C      1.2027411020      2.5401483212      1.9936179622
 C      0.0306386402      2.8814820674      1.9739532827
 C     -1.2548628343      2.7865735827      1.7334991008
 C     -2.2962422776      2.3479099842      1.3344929462
 C     -3.2858477261      1.6976359516      0.6351861347
 C     -3.7162571622      0.8990957301     -0.1261314949
 C     -3.6369405105     -0.0368234973     -1.0830841586
 C     -3.1949699759     -0.9833761335     -1.7216321862
 C     -2.3157495887     -1.9743549445     -2.0349822064
 C     -1.3014216244     -2.6703039624     -2.0558654614
 C     -0.0377711542     -2.9653661022     -1.8225537822
 C      1.1293351860     -3.0585575935     -1.4804296428
 C      2.3584860653     -2.6686010432     -1.0756826714
 C      3.1328803923     -1.8977508313     -0.5983341996
 C      3.7329658076     -0.8895289514      0.0626131708
 C      3.8181393128      0.1549037791      0.6865295445
 C      3.2381461623      1.1390492562      1.4162195960
 C      2.3965600613      1.9246399897      1.8345558735
18
# ORCA AIMD Position Step 534, t=534.00 fs, E_Pot=-685.23801795 Hartree, Unit is Angstrom
 C      1.2029825381      2.5335417359      1.9957918402
 C      0.0318287233      2.8843874718      1.9753173923
 C     -1.2589931109      2.7905509588      1.7424188651
 C     -2.2983086103      2.3526788320      1.3421051868
 C     -3.2808658325      1.6957198548      0.6421141053
 C     -3.7072591017      0.8977743744     -0.1337274772
 C     -3.6319135614     -0.0366959551     -1.0847822167
 C     -3.1954077445     -0.9785175401     -1.7252333349
 C     -2.3209325486     -1.9694841272     -2.0429095557
 C     -1.3055089742     -2.6718941637     -2.0629985986
 C     -0.0404333482     -2.9676645148     -1.8259488987
 C      1.1295816053     -3.0574001572     -1.4837960362
 C      2.3512433791     -2.6753051234     -1.0802670509
 C      3.1386521342     -1.8907114386     -0.5940924201
 C      3.7306360601     -0.8916363607      0.0615809934
 C      3.8136853131      0.1522691323      0.6857316566
 C      3.2437715267      1.1367460109      1.4160274922
 C      2.3977124252      1.9196882050      1.8440366974
18
# ORCA AIMD Position Step 535, t=535.00 fs, E_Pot=-685.23888303 Hartree, Unit is Angstrom
 C      1.2031588623      2.5271623725      1.9981668059
 C      0.0350387439      2.8870587406      1.9770357891
 C     -1.2633388726      2.7948559063      1.7515395127
 C     -2.3026605761      2.3568520860      1.3488128640
 C     -3.2743425561      1.6955357169      0.6508863977
 C     -3.6989395003      0.8957318955     -0.1425231530
 C     -3.6270404559     -0.0374248194     -1.0869218026
 C     -3.1956231090     -0.9740444056     -1.7286619153
 C     -2.3254932713     -1.9649724451     -2.0508960131
 C     -1.3115664811     -2.6721883479     -2.0702036521
 C     -0.0417639933     -2.9707259480     -1.8291205738
 C      1.1293171358     -3.0562560362     -1.4876380138
 C      2.3437428288     -2.6819138890     -1.0847671938
 C      3.1449201495     -1.8840500256     -0.5899383379
 C      3.7285008876     -0.8933565178      0.0606770345
 C      3.8089460842      0.1495497179      0.6853179932
 C      3.2489487337      1.1352081694      1.4159961500
 C      2.3993072548      1.9143012002      1.8530140982
18
# ORCA AIMD Position Step 536, t=536.00 fs, E_Pot=-685.23838132 Hartree, Unit is Angstrom
 C      1.2033835192      2.5209941622      2.0007497828
 C      0.0398662186      2.8894653646      1.9790606898
 C     -1.2675781075      2.7995165151      1.7609010479
 C     -2.3091310901      2.3604787549      1.3547023133
 C     -3.2667914085      1.6963486184      0.6607274863
 C     -3.6909603516      0.8937606313     -0.1516967936
 C     -3.6224695482     -0.0387336543     -1.0893703354
 C     -3.1954594838     -0.9703211250     -1.7321815572
 C     -2.3293606084     -1.9608910646     -2.0589269918
 C     -1.3193024225     -2.6712244298     -2.0774169323
 C     -0.0421494934     -2.9744647122     -1.8321560092
 C      1.1283589204     -3.0551805255     -1.4919957052
 C      2.3372007052     -2.6874341090     -1.0885230097
 C      3.1505149069     -1.8790230343     -0.5866759885
 C      3.7267141289     -0.8945477387      0.0600062904
 C      3.8039902789      0.1469149053      0.6853818565
 C      3.2535209322      1.1345272143      1.4162146081
 C      2.4014047531      1.9084196495      1.8613927653
18
# ORCA AIMD Position Step 537, t=537.00 fs, E_Pot=-685.23714918 Hartree, Unit is Angstrom
 C      1.2038891592      2.5149753685      2.0035504146
 C      0.0457427998      2.8916074055      1.9813348811
 C     -1.2715283574      2.8044964525      1.7704903962
 C     -2.3172587934      2.3637618855      1.3600143146
 C     -3.2588393987      1.6973039972      0.6707247158
 C     -3.6829588995      0.8926833755     -0.1603776709
 C     -3.6183316590     -0.0403473989     -1.0919880351
 C     -3.1947832713     -0.9676772618     -1.7360508771
 C     -2.3326039461     -1.9572144796     -2.0669957183
 C     -1.3281989350     -2.6691707248     -2.0845709665
 C     -0.0421540504     -2.9787676257     -1.8351909113
 C      1.1266591187     -3.0542200106     -1.4968714851
 C      2.3325422001     -2.6911349099     -1.0910432390
 C      3.1545414245     -1.8765915825     -0.5849239268
 C      3.7254019855     -0.8951100600      0.0596491385
 C      3.7988773399      0.1445242750      0.6860080212
 C      3.2574212999      1.1347139698      1.4167287754
 C      2.4039730585      1.9020591573      1.8691324166
18
# ORCA AIMD Position Step 538, t=538.00 fs, E_Pot=-685.23625498 Hartree, Unit is Angstrom
 C      1.2049515514      2.5090256026      2.0065814429
 C      0.0520463334      2.8935013441      1.9838018713
 C     -1.2751587783      2.8096998054      1.7802391724
 C     -2.3263557665      2.3670274973      1.3651085161
 C     -3.2511243760      1.6975869903      0.6799891418
 C     -3.6746217515      0.8931956444     -0.1678059702
 C     -3.6147202009     -0.0420348069     -1.0946524530
 C     -3.1935230826     -0.9663356777     -1.7404728629
 C     -2.3353814739     -1.9538617151     -2.0751059815
 C     -1.3376145676     -2.6662867108     -2.0916027874
 C     -0.0423963464     -2.9835114736     -1.8383783960
 C      1.1242985334     -3.0534016050     -1.5022303461
 C      2.3303195114     -2.6925876045     -1.0920413175
 C      3.1564464050     -1.8773373468     -0.5850586037
 C      3.7246391763     -0.8950141412      0.0596377053
 C      3.7936613320      0.1424920402      0.6872531078
 C      3.2606575759      1.1357215009      1.4175528947
 C      2.4069064075      1.8952999582      1.8762399793
18
# ORCA AIMD Position Step 539, t=539.00 fs, E_Pot=-685.23656911 Hartree, Unit is Angstrom
 C      1.2068025749      2.5030814944      2.0098571899
 C      0.0582064922      2.8951624027      1.9864135697
 C     -1.2785612415      2.8149870817      1.7900304548
 C     -2.3356123347      2.3706668683      1.3704045345
 C     -3.2442164286      1.6965301562      0.6877665349
 C     -3.6657296014      0.8957692859     -0.1734301955
 C     -3.6116785892     -0.0436387424     -1.0972758997
 C     -3.1917014507     -0.9663535197     -1.7455497432
 C     -2.3378823701     -1.9507431977     -2.0832714926
 C     -1.3468834659     -2.6628803290     -2.0984583562
 C     -0.0434348259     -2.9885757115     -1.8418585385
 C      1.1214618635     -3.0527294404     -1.5080025988
 C      2.3306880747     -2.6916631518     -1.0914416300
 C      3.1560380475     -1.8814283898     -0.5871902187
 C      3.7244305383     -0.8943216020      0.0599399861
 C      3.7883963060      0.1408629327      0.6891283410
 C      3.2632952574      1.1374654466      1.4186801835
 C      2.4100520210      1.8882734434      1.8827553660
18
# ORCA AIMD Position Step 540, t=540.00 fs, E_Pot=-685.23820801 Hartree, Unit is Angstrom
 C      1.2095582112      2.4971256295      2.0133896094
 C      0.0637794177      2.8965869700      1.9891321083
 C     -1.2818871778      2.8202000589      1.7997164960
 C     -2.3442259664      2.3750586703      1.3763051913
 C     -3.2385418527      1.6937063467      0.6935350974
 C     -3.6561868611      0.9005809515     -0.1769810230
 C     -3.6091948659     -0.0450821147     -1.0998085020
 C     -3.1894525744     -0.9675870388     -1.7512528176
 C     -2.3402790944     -1.9477990702     -2.0915144550
 C     -1.3553758483     -2.6592766760     -2.1050912269
 C     -0.0456788997     -2.9938465218     -1.8457322413
 C      1.1183871701     -3.0521823246     -1.5140921264
 C      2.3333839662     -2.6885445736     -1.0893926542
 C      3.1535101150     -1.8885890097     -0.5911413673
 C      3.7247048060     -0.8931900330      0.0604588830
 C      3.7831393494      0.1396068016      0.6915937128
 C      3.2654497771      1.1398265394      1.4200813337
 C      2.4132230258      1.8811547362      1.8887409837
18
# ORCA AIMD Position Step 541, t=541.00 fs, E_Pot=-685.24031210 Hartree, Unit is Angstrom
 C      1.2131650921      2.4912018390      2.0171866076
 C      0.0684969236      2.8977421235      1.9919323042
 C     -1.2852807009      2.8251886445      1.8091472482
 C     -2.3515374079      2.3804929873      1.3831214843
 C     -3.2343160788      1.6889879664      0.6970780462
 C     -3.6460235951      0.9074907177     -0.1785022120
 C     -3.6072052755     -0.0463551993     -1.1022322586
 C     -3.1870175578     -0.9696986972     -1.7574234028
 C     -2.3426816141     -1.9450306952     -2.0998676503
 C     -1.3625694922     -2.6557769417     -2.1114658549
 C     -0.0493351663     -2.9992222741     -1.8500470747
 C      1.1153181142     -3.0517181798     -1.5203891222
 C      2.3377343000     -2.6837268122     -1.0862655368
 C      3.1494309835     -1.8981155031     -0.5964599899
 C      3.7253265755     -0.8918609094      0.0610424028
 C      3.7779531910      0.1386261976      0.6945608138
 C      3.2672772070      1.1426610607      1.4217112316
 C      2.4162199582      1.8741492182      1.8942768318
18
# ORCA AIMD Position Step 542, t=542.00 fs, E_Pot=-685.24143648 Hartree, Unit is Angstrom
 C      1.2173934444      2.4854135564      2.0212538459
 C      0.0722865517      2.8985631795      1.9948046021
 C     -1.2888324206      2.8298365117      1.8182010228
 C     -2.3571405725      2.3871117995      1.3910183666
 C     -3.2314899021      1.6825900730      0.6985460626
 C     -3.6353880395      0.9160540841     -0.1783583948
 C     -3.6056044343     -0.0474966962     -1.1045553873
 C     -3.1847140353     -0.9722048569     -1.7638046629
 C     -2.3451151307     -1.9425114514     -2.1083796565
 C     -1.3681040147     -2.6526219293     -2.1175646861
 C     -0.0543776045     -3.0046226470     -1.8547918257
 C      1.1124322700     -3.0512815534     -1.5267956188
 C      2.3427026311     -2.6780016093     -1.0826364318
 C      3.1447140379     -1.9089383865     -0.6024593762
 C      3.7261230277     -0.8906096774      0.0615173084
 C      3.7728970909      0.1377704124      0.6979034542
 C      3.2689651509      1.1458067922      1.4235089470
 C      2.4188505293      1.8674693919      1.8994608992
18
# ORCA AIMD Position Step 543, t=543.00 fs, E_Pot=-685.24047154 Hartree, Unit is Angstrom
 C      1.2218783335      2.4799052937      2.0255981980
 C      0.0752373718      2.8989612994      1.9977544623
 C     -1.2925378302      2.8340810184      1.8268112030
 C     -2.3609332679      2.3948845660      1.3999945805
 C     -3.2297448879      1.6750635530      0.6984672449
 C     -3.6245288283      0.9255716970     -0.1772060529
 C     -3.6042670234     -0.0485587612     -1.1067961279
 C     -3.1828817160     -0.9745671836     -1.7701001876
 C     -2.3475206539     -1.9403770772     -2.1171141241
 C     -1.3718086499     -2.6499655209     -2.1233925432
 C     -0.0605699089     -3.0099953019     -1.8599062812
 C      1.1098008952     -3.0508129194     -1.5332449133
 C      2.3470014900     -2.6723805472     -1.0792273158
 C      3.1405175516     -1.9197561752     -0.6083066092
 C      3.7269148490     -0.8896985978      0.0617215925
 C      3.7680205370      0.1368629675      0.7014806805
 C      3.2707165643      1.1490941917      1.4254037775
 C      2.4209476651      1.8613120558      1.9044030854
18
# ORCA AIMD Position Step 544, t=544.00 fs, E_Pot=-685.23771126 Hartree, Unit is Angstrom
 C      1.2261816034      2.4748455975      2.0302309140
 C      0.0775361582      2.8988349763      2.0008005162
 C     -1.2962710164      2.8379226729      1.8349786456
 C     -2.3630985668      2.4036266368      1.4099047684
 C     -3.2285552052      1.6672246068      0.6976810163
 C     -3.6137680331      0.9351627652     -0.1759298371
 C     -3.6030706172     -0.0495693009     -1.1089640158
 C     -3.1818316239     -0.9762772698     -1.7760272988
 C     -2.3497720300     -1.9388061350     -2.1261451930
 C     -1.3736854887     -2.6478691352     -2.1289753759
 C     -0.0675225972     -3.0153159219     -1.8652964450
 C      1.1073686833     -3.0502606246     -1.5397135389
 C      2.3492919857     -2.6679356645     -1.0767964191
 C      3.1380685429     -1.9292454992     -0.6131544426
 C      3.7275467767     -0.8893280030      0.0615356207
 C      3.7633555463      0.1357230641      0.7051528028
 C      3.2727280186      1.1523573645      1.4273227374
 C      2.4223861633      1.8558343818      1.9092150233
18
# ORCA AIMD Position Step 545, t=545.00 fs, E_Pot=-685.23489624 Hartree, Unit is Angstrom
 C      1.2298673813      2.4703948653      2.0351681956
 C      0.0793932272      2.8980876878      2.0039708363
 C     -1.2997819194      2.8414225214      1.8427731334
 C     -2.3640401851      2.4130438734      1.4204983346
 C     -3.2272875594      1.6600244588      0.6972086626
 C     -3.6034537312      0.9438933400     -0.1755178303
 C     -3.6019144012     -0.0505147170     -1.1110455815
 C     -3.1817903103     -0.9769494816     -1.7813754611
 C     -2.3517218312     -1.9379724077     -2.1355420922
 C     -1.3738841382     -2.6463119693     -2.1343580128
 C     -0.0747644267     -3.0205881665     -1.8708572681
 C      1.1049781482     -3.0495860415     -1.5462180804
 C      2.3484723707     -2.6655449631     -1.0759678249
 C      3.1383761563     -1.9363463256     -0.6163208101
 C      3.7279075986     -0.8896157107      0.0608980694
 C      3.7589237946      0.1341834576      0.7087933223
 C      3.2751649428      1.1554579484      1.4292011023
 C      2.4230933525      1.8511415624      1.9139947118
18
# ORCA AIMD Position Step 546, t=546.00 fs, E_Pot=-685.23398752 Hartree, Unit is Angstrom
 C      1.2325645051      2.4666895364      2.0404269491
 C      0.0809753815      2.8966418962      2.0072967430
 C     -1.3027129475      2.8446885251      1.8503138493
 C     -2.3642888015      2.4227795803      1.4314675781
 C     -3.2253313989      1.6543767739      0.6980531295
 C     -3.5939043321      0.9509270028     -0.1768876376
 C     -3.6007349655     -0.0513255038     -1.1130002757
 C     -3.1828651243     -0.9763823588     -1.7860340539
 C     -2.3532448725     -1.9380051012     -2.1453481295
 C     -1.3726519545     -2.6452142320     -2.1395945519
 C     -0.0818055100     -3.0258327966     -1.8764858163
 C      1.1024038196     -3.0487705888     -1.5528005832
 C      2.3439799380     -2.6656331227     -1.0770623061
 C      3.1419408736     -1.9405340017     -0.6174660371
 C      3.7279376614     -0.8905870349      0.0598098201
 C      3.7547384093      0.1321078311      0.7122997695
 C      3.2781354294      1.1582931430      1.4309949272
 C      2.4230582873      1.8472825211      1.9188074846
18
# ORCA AIMD Position Step 547, t=547.00 fs, E_Pot=-685.23555683 Hartree, Unit is Angstrom
 C      1.2340127101      2.4638298871      2.0460112659
 C      0.0823602388      2.8944552281      2.0108027772
 C     -1.3046437153      2.8478493926      1.8577322249
 C     -2.3644055164      2.4324520918      1.4424760985
 C     -3.2222356762      1.6509660084      0.7009528336
 C     -3.5853446005      0.9556932938     -0.1806546198
 C     -3.5995128031     -0.0518814704     -1.1147582543
 C     -3.1850213922     -0.9745907711     -1.7900032042
 C     -2.3542752094     -1.9389486725     -2.1555505527
 C     -1.3702920084     -2.6444643095     -2.1447322349
 C     -0.0881904308     -3.0310704446     -1.8820864764
 C      1.0994048586     -3.0478203036     -1.5595025396
 C      2.3359821213     -2.6680296079     -1.0799983488
 C      3.1485684518     -1.9419548592     -0.6166858265
 C      3.7276290389     -0.8921775948      0.0583359084
 C      3.7508166691      0.1294076082      0.7155916884
 C      3.2816685275      1.1607995787      1.4326841029
 C      2.4223347766      1.8442533365      1.9236664546
18
# ORCA AIMD Position Step 548, t=548.00 fs, E_Pot=-685.23834869 Hartree, Unit is Angstrom
 C      1.2341054661      2.4618621644      2.0519063315
 C      0.0835162192      2.8915364162      2.0145005466
 C     -1.3051737843      2.8510218293      1.8651391217
 C     -2.3648818793      2.4417038184      1.4531988815
 C     -3.2178152683      1.6500687796      0.7061584429
 C     -3.5778336782      0.9580523969     -0.1869226117
 C     -3.5982688253     -0.0520331983     -1.1162300503
 C     -3.1880814812     -0.9718072370     -1.7933929422
 C     -2.3548328422     -1.9407388976     -2.1660653232
 C     -1.3671308011     -2.6439412850     -2.1498056627
 C     -0.0935563861     -3.0363138419     -1.8875815000
 C      1.0957854468     -3.0467639718     -1.5663437595
 C      2.3253452447     -2.6720202193     -1.0843151227
 C      3.1573988848     -1.9413687234     -0.6144837100
 C      3.7270241739     -0.8942491190      0.0565929817
 C      3.7471803233      0.1260612727      0.7186174280
 C      3.2857011883      1.1629543924      1.4342753624
 C      2.4210392893      1.8419989420      1.9285267861
18
# ORCA AIMD Position Step 549, t=549.00 fs, E_Pot=-685.24038174 Hartree, Unit is Angstrom
 C      1.2329147821      2.4607610934      2.0580875157
 C      0.0843094923      2.8879467497      2.0183952185
 C     -1.3040261856      2.8542856990      1.8726068734
 C     -2.3660462102      2.4502687321      1.4633901533
 C     -3.2121721606      1.6514905447      0.7133547072
 C     -3.5712290641      0.9583510869     -0.1952159309
 C     -3.5970525797     -0.0516335829     -1.1173336442
 C     -3.1917571626     -0.9684376885     -1.7964082957
 C     -2.3550232963     -1.9432108308     -2.1767638111
 C     -1.3634800609     -2.6435313827     -2.1548436816
 C     -0.0976973885     -3.0415706848     -1.8929309817
 C      1.0914418085     -3.0456443984     -1.5733207888
 C      2.3133557294     -2.6765901311     -1.0893342965
 C      3.1671730540     -1.9399009192     -0.6116096981
 C      3.7262027665     -0.8966192179      0.0547299280
 C      3.7438459826      0.1221177161      0.7213677132
 C      3.2900922153      1.1647744596      1.4358019491
 C      2.4193345862      1.8404169484      1.9333007185
18
# ORCA AIMD Position Step 550, t=550.00 fs, E_Pot=-685.24036640 Hartree, Unit is Angstrom
 C      1.2306793987      2.4604310312      2.0645323338
 C      0.0845327710      2.8837887966      2.0224932896
 C     -1.3011269351      2.8576653051      1.8801573565
 C     -2.3680029127      2.4580159462      1.4729274307
 C     -3.2056266740      1.6546642436      0.7217806943
 C     -3.5652253798      0.9573195631     -0.2046073755
 C     -3.5959215310     -0.0505783767     -1.1180194646
 C     -3.1957059235     -0.9649753060     -1.7993141338
 C     -2.3550161701     -1.9461291888     -2.1875043630
 C     -1.3596085040     -2.6431387554     -2.1598760230
 C     -0.1005951752     -3.0468500730     -1.8981482077
 C      1.0863991956     -3.0445073315     -1.5804057809
 C      2.3013627866     -2.6807120015     -1.0943507206
 C      3.1765721353     -1.9387353672     -0.6088608094
 C      3.7252625755     -0.8991013289      0.0528968617
 C      3.7408160461      0.1176873594      0.7238784590
 C      3.2946497048      1.1663073553      1.4373179478
 C      2.4174027623      1.8393727391      1.9378794884
18
# ORCA AIMD Position Step 551, t=551.00 fs, E_Pot=-685.23834722 Hartree, Unit is Angstrom
 C      1.2277595377      2.4607240867      2.0712256910
 C      0.0839493865      2.8791883506      2.0268074431
 C     -1.2966343319      2.8611219288      1.8877546798
 C     -2.3706241682      2.4649497646      1.4818154869
 C     -3.1986019146      1.6588456031      0.7304639400
 C     -3.5594460355      0.9558716017     -0.2139602335
 C     -3.5949206276     -0.0488368343     -1.1182934341
 C     -3.1995915163     -0.9619059350     -1.8023796203
 C     -2.3550059606     -1.9492341904     -2.1981520284
 C     -1.3557331487     -2.6426890435     -2.1649360237
 C     -0.1024071245     -3.0521612862     -1.9032985322
 C      1.0808272301     -3.0433904139     -1.5875417469
 C      2.2905181200     -2.6835415246     -1.0987726476
 C      3.1844587669     -1.9388857466     -0.6069300424
 C      3.7242973810     -0.9015426932      0.0512195077
 C      3.7380797105      0.1129212333      0.7262235593
 C      3.2991599687      1.1676171012      1.4388897519
 C      2.4154205963      1.8387216691      1.9421491712
18
# ORCA AIMD Position Step 552, t=552.00 fs, E_Pot=-685.23541743 Hartree, Unit is Angstrom
 C      1.2245689290      2.4614695383      2.0781617741
 C      0.0823498307      2.8742741066      2.0313600216
 C     -1.2909239635      2.8645619959      1.8953104774
 C     -2.3735915256      2.4711799813      1.4901609596
 C     -3.1915167023      1.6632988090      0.7384497702
 C     -3.5535266851      0.9549142570     -0.2221623578
 C     -3.5940637418     -0.0464764424     -1.1182326675
 C     -3.2031323534     -0.9596242078     -1.8058274348
 C     -2.3551745150     -1.9522820253     -2.2085902013
 C     -1.3520368450     -2.6421209004     -2.1700625759
 C     -0.1034180208     -3.0575150843     -1.9084857436
 C      1.0750318749     -3.0423171294     -1.5946421205
 C      2.2816449067     -2.6844971558     -1.1021854512
 C      3.1899976153     -1.9410802231     -0.6063266733
 C      3.7233782483     -0.9038499408      0.0497827650
 C      3.7356142387      0.1079851640      0.7284967233
 C      3.3034105452      1.1687710378      1.4405872921
 C      2.4135472884      1.8383239655      1.9460013204
18
# ORCA AIMD Position Step 553, t=553.00 fs, E_Pot=-685.23298124 Hartree, Unit is Angstrom
 C      1.2215176093      2.4624963971      2.0853398613
 C      0.0796090893      2.8691585780      2.0361850497
 C     -1.2845347364      2.8678576865      1.9026999222
 C     -2.3764779620      2.4768714971      1.4981272352
 C     -3.1847126138      1.6674231436      0.7449549586
 C     -3.5471683154      0.9552046844     -0.2282928642
 C     -3.5933246887     -0.0436512911     -1.1179783106
 C     -3.2061348852     -0.9583775398     -1.8097932436
 C     -2.3556585139     -1.9550772213     -2.2187284029
 C     -1.3486723554     -2.6413854612     -2.1752968086
 C     -0.1039900379     -3.0629178761     -1.9138366535
 C      1.0694265819     -3.0412931788     -1.6015918201
 C      2.2752007110     -2.6832642359     -1.1043678488
 C      3.1926901578     -1.9457180859     -0.6073417510
 C      3.7225377055     -0.9060150715      0.0486146033
 C      3.7333915407      0.1030360217      0.7307930610
 C      3.3072055378      1.1698299967      1.4424776104
 C      2.4119039324      1.8380641459      1.9493430463
18
# ORCA AIMD Position Step 554, t=554.00 fs, E_Pot=-685.23204746 Hartree, Unit is Angstrom
 C      1.2189382524      2.4636634581      2.0927579379
 C      0.0757492206      2.8639257063      2.0413263722
 C     -1.2781188693      2.8708658116      1.9097752548
 C     -2.3788274697      2.4821942356      1.5058842397
 C     -3.1784237815      1.6708100477      0.7494357536
 C     -3.5401655702      0.9572789281     -0.2316975463
 C     -3.5926320678     -0.0405976629     -1.1177276251
 C     -3.2084993090     -0.9582383511     -1.8143009028
 C     -2.3565336508     -1.9574864934     -2.2284921154
 C     -1.3458017274     -2.6404305457     -2.1806827150
 C     -0.1044758794     -3.0683727641     -1.9194728477
 C      1.0644767326     -3.0403077550     -1.6082556634
 C      2.2713039800     -2.6797725984     -1.1052781883
 C      3.1923572387     -1.9528746071     -0.6100513747
 C      3.7217665049     -0.9081035641      0.0476942232
 C      3.7313811622      0.0981981264      0.7331888548
 C      3.3103749926      1.1708434750      1.4446180327
 C      2.4105849883      1.8378490023      1.9520964775
18
# ORCA AIMD Position Step 555, t=555.00 fs, E_Pot=-685.23280726 Hartree, Unit is Angstrom
 C      1.2170409913      2.4648743731      2.1003979593
 C      0.0709869655      2.8586259857      2.0468302035
 C     -1.2723824625      2.8734476005      1.9163776306
 C     -2.3802334997      2.4872771930      1.5135609120
 C     -3.1727689848      1.6732627847      0.7516108901
 C     -3.5324254880      0.9613996890     -0.2320338866
 C     -3.5918735677     -0.0375987563     -1.1177030836
 C     -3.2102169866     -0.9591015408     -1.8192517293
 C     -2.3578081589     -1.9594407539     -2.2378110477
 C     -1.3436049706     -2.6392008661     -2.1862578247
 C     -0.1051431092     -3.0738710159     -1.9254809463
 C      1.0606272937     -3.0393386519     -1.6144887293
 C      2.2697492539     -2.6741933329     -1.1050483521
 C      3.1891418762     -1.9622929582     -0.6143111480
 C      3.7210159381     -0.9102368053      0.0469652183
 C      3.7295553328      0.0935496353      0.7357201293
 C      3.3127820333      1.1718430011      1.4470488666
 C      2.4096537312      1.8376135136      1.9542010644
18
# ORCA AIMD Position Step 556, t=556.00 fs, E_Pot=-685.23454576 Hartree, Unit is Angstrom
 C      1.2158950600      2.4660804316      2.1082197547
 C      0.0657193575      2.8532807457      2.0527397907
 C     -1.2680019044      2.8754874467      1.9223556310
 C     -2.3804099576      2.4921733718      1.5212106615
 C     -3.1677438177      1.6748096632      0.7514817675
 C     -3.5239705551      0.9675228416     -0.2293008230
 C     -3.5909145836     -0.0349222133     -1.1181067717
 C     -3.2113575210     -0.9607140713     -1.8244430826
 C     -2.3594281910     -1.9609333134     -2.2466218517
 C     -1.3422557877     -2.6376505542     -2.1920446632
 C     -0.1061327351     -3.0793836169     -1.9318961680
 C      1.0582217364     -3.0383612442     -1.6201583633
 C      2.2700116998     -2.6669423015     -1.1039823263
 C      3.1835285186     -1.9733857730     -0.6197529882
 C      3.7202044832     -0.9125726709      0.0463463359
 C      3.7278904969      0.0891264316      0.7383819896
 C      3.3143343182      1.1728287058      1.4497808089
 C      2.4091398789      1.8373253270      1.9556217801
18
# ORCA AIMD Position Step 557, t=557.00 fs, E_Pot=-685.23597004 Hartree, Unit is Angstrom
 C      1.2154268476      2.4672788840      2.1161718125
 C      0.0604847597      2.8478788314      2.0590973840
 C     -1.2655331114      2.8769156378      1.9275989201
 C     -2.3792416320      2.4968594778      1.5288095005
 C     -3.1632208086      1.6756978084      0.7493370594
 C     -3.5149312164      0.9752997652     -0.2238535335
 C     -3.5896083333     -0.0327809665     -1.1190881019
 C     -3.2120492387     -0.9627158794     -1.8296040158
 C     -2.3613025550     -1.9620054977     -2.2548797303
 C     -1.3419040075     -2.6357478379     -2.1980585670
 C     -0.1074070418     -3.0848703691     -1.9386953190
 C      1.0574171563     -3.0373525159     -1.6251786518
 C      2.2712505202     -2.6586749525     -1.1025525857
 C      3.1763427177     -1.9852795679     -0.6258070856
 C      3.7192346968     -0.9152600909      0.0457613458
 C      3.7263634627      0.0849034030      0.7411240406
 C      3.3149999569      1.1737681558      1.4527935569
 C      2.4090323541      1.8369865496      1.9563585322
18
# ORCA AIMD Position Step 558, t=558.00 fs, E_Pot=-685.23593920 Hartree, Unit is Angstrom
 C      1.2154644775      2.4684976750      2.1242057994
 C      0.0558517572      2.8423854677      2.0659466034
 C     -1.2653129646      2.8777216862      1.9320661135
 C     -2.3768098207      2.5012404903      1.5362619535
 C     -3.1589556998      1.6763768245      0.7457352927
 C     -3.5055260803      0.9841158409     -0.2163730990
 C     -3.5878144728     -0.0312916336     -1.1207177258
 C     -3.2124492393     -0.9647086720     -1.8344493190
 C     -2.3633356961     -1.9627244436     -2.2625710013
 C     -1.3426351532     -2.6334894982     -2.2043105851
 C     -0.1087708215     -3.0902833196     -1.9458116072
 C      1.0581501933     -3.0362982403     -1.6295325742
 C      2.2723724444     -2.6502299592     -1.1013648124
 C      3.1686913353     -1.9969090452     -0.6317562772
 C      3.7180079048     -0.9184132602      0.0451573336
 C      3.7249486515      0.0808052564      0.7438656846
 C      3.3148138372      1.1745869721      1.4560335589
 C      2.4092749155      1.8366358569      1.9564502008
18
# ORCA AIMD Position Step 559, t=559.00 fs, E_Pot=-685.23426136 Hartree, Unit is Angstrom
 C      1.2158014958      2.4697744828      2.1322853009
 C      0.0523027346      2.8367578491      2.0733307301
 C     -1.2673878588      2.8779596553      1.9358018903
 C     -2.3733914925      2.5051607717      1.5434104375
 C     -3.1546155242      1.6774543953      0.7414495446
 C     -3.4960385223      0.9931627641     -0.2077919152
 C     -3.5854127792     -0.0304610820     -1.1229805058
 C     -3.2127106598     -0.9663227276     -1.8387269618
 C     -2.3654615696     -1.9631541186     -2.2697115463
 C     -1.3444401870     -2.6309134896     -2.2108089186
 C     -0.1099283979     -3.0955667157     -1.9531558487
 C      1.0601538110     -3.0351985839     -1.6332769466
 C      2.2721897933     -2.6425054599     -1.1010743202
 C      3.1618075130     -2.0071728476     -0.6368363292
 C      3.7164375826     -0.9220916829      0.0445189187
 C      3.7236163669      0.0767240807      0.7465134407
 C      3.3138733399      1.1751654496      1.4594151985
 C      2.4097664028      1.8363477793      1.9559714450
18
# ORCA AIMD Position Step 560, t=560.00 fs, E_Pot=-685.23192982 Hartree, Unit is Angstrom
 C      1.2162615253      2.4711361631      2.1403889234
 C      0.0501397648      2.8309625954      2.0812883891
 C     -1.2714799938      2.8777461010      1.9389424262
 C     -2.3694380904      2.5084184825      1.5500464705
 C     -3.1498246675      1.6796227813      0.7373721682
 C     -3.4867853916      1.0015366658     -0.1991800625
 C     -3.5823128479     -0.0301921792     -1.1257808116
 C     -3.2129553235     -0.9672704706     -1.8422527515
 C     -2.3676675245     -1.9633303273     -2.2763375525
 C     -1.3471991377     -2.6281064099     -2.2175569697
 C     -0.1105631090     -3.1006542889     -1.9606391119
 C      1.0630076613     -3.0340735648     -1.6365328560
 C      2.2696559417     -2.6362892992     -1.1022599989
 C      3.1568201683     -2.0151220302     -0.6403704752
 C      3.7144598754     -0.9262928956      0.0438741311
 C      3.7223332261      0.0725434546      0.7489772002
 C      3.3123241054      1.1753414323      1.4628249431
 C      2.4103670528      1.8362271386      1.9550239653
18
# ORCA AIMD Position Step 561, t=561.00 fs, E_Pot=-685.23046641 Hartree, Unit is Angstrom
 C      1.2167471287      2.4725835925      2.1485053808
 C      0.0494350583      2.8249921535      2.0898451573
 C     -1.2770014975      2.8772508709      1.9417083002
 C     -2.3655357685      2.5107844390      1.5559243483
 C     -3.1442303978      1.6835499906      0.7343744875
 C     -3.4780764465      1.0083568281     -0.1915959265
 C     -3.5784613226     -0.0302986444     -1.1289530826
 C     -3.2132551157     -0.9673801724     -1.8449288040
 C     -2.3700017071     -1.9632471546     -2.2824909540
 C     -1.3506806366     -2.6252046822     -2.2245486001
 C     -0.1104145317     -3.1054646756     -1.9681900951
 C      1.0661974940     -3.0329674863     -1.6394687894
 C      2.2641462339     -2.6320714815     -1.1052793431
 C      3.1544841157     -2.0201541843     -0.6419145862
 C      3.7120390687     -0.9309519598      0.0432929972
 C      3.7210650961      0.0681624180      0.7511834999
 C      3.3103401267      1.1749203577      1.4661289827
 C      2.4109126793      1.8363986705      1.9537243285
18
# ORCA AIMD Position Step 562, t=562.00 fs, E_Pot=-685.23073572 Hartree, Unit is Angstrom
 C      1.2172645720      2.4740834315      2.1566188100
 C      0.0500272931      2.8188813454      2.0989976761
 C     -1.2831196852      2.8766798083      1.9443801206
 C     -2.3623388778      2.5120313133      1.5607836100
 C     -3.1375939804      1.6897255393      0.7331169161
 C     -3.4701645617      1.0129067529     -0.1859006246
 C     -3.5738498402     -0.0305238912     -1.1322711976
 C     -3.2136244299     -0.9666106546     -1.8467471957
 C     -2.3725604438     -1.9628565671     -2.2882016680
 C     -1.3545561351     -2.6223893357     -2.2317562984
 C     -0.1093403957     -3.1098961146     -1.9757594120
 C      1.0691675766     -3.0319531447     -1.6422809510
 C      2.2556978012     -2.6299064791     -1.1101444908
 C      3.1549599259     -2.0221520681     -0.6413727083
 C      3.7091750562     -0.9359417814      0.0428820829
 C      3.7197791889      0.0635199714      0.7530823776
 C      3.3081013300      1.1736952560      1.4691816457
 C      2.4112364171      1.8369885724      1.9521922909
18
# ORCA AIMD Position Step 563, t=563.00 fs, E_Pot=-685.23229411 Hartree, Unit is Angstrom
 C      1.2179246980      2.4755680582      2.1646972458
 C      0.0515528039      2.8127153986      2.1087006802
 C     -1.2888797458      2.8762455563      1.9472593491
 C     -2.3604635065      2.5119822354      1.5643936840
 C     -3.1298856011      1.6982896339      0.7338443848
 C     -3.4631851338      1.0147868109     -0.1825635890
 C     -3.5685247288     -0.0305569829     -1.1354575848
 C     -3.2140199451     -0.9650564848     -1.8477904591
 C     -2.3754542818     -1.9620874106     -2.2934770202
 C     -1.3584359683     -2.6198658724     -2.2391234971
 C     -0.1073690071     -3.1138277464     -1.9833216142
 C      1.0713830138     -3.0311297419     -1.6451702893
 C      2.2450751336     -2.6293955437     -1.1164849522
 C      3.1577553448     -2.0215046694     -0.6390303119
 C      3.7059082784     -0.9410822063      0.0427716182
 C      3.7184465347      0.0586210209      0.7546579462
 C      3.3057686083      1.1714736876      1.4718377180
 C      2.4111992612      1.8380993271      1.9505364851
18
# ORCA AIMD Position Step 564, t=564.00 fs, E_Pot=-685.23386730 Hartree, Unit is Angstrom
 C      1.2189120585      2.4769506445      2.1726988995
 C      0.0535215928      2.8066120986      2.1188798537
 C     -1.2934092226      2.8761213301      1.9506120971
 C     -2.3603203434      2.5105811936      1.5666349596
 C     -3.1213298893      1.7089427304      0.7362756623
 C     -3.4571117478      1.0140127638     -0.1815534464
 C     -3.5625744165     -0.0300769701     -1.1382204086
 C     -3.2143565984     -0.9629156769     -1.8482127792
 C     -2.3787745299     -1.9608715266     -2.2983088340
 C     -1.3619277008     -2.6178307846     -2.2465766180
 C     -0.1046996257     -3.1171381178     -1.9908846643
 C      1.0723784708     -3.0306112254     -1.6483284062
 C      2.2335791216     -2.6298187166     -1.1236430434
 C      3.1618903235     -2.0189792637     -0.6354686076
 C      3.7023155049     -0.9461595425      0.0431010543
 C      3.7170428465      0.0535257903      0.7559303450
 C      3.3034530055      1.1681186986      1.4739804978
 C      2.4107238215      1.8397819402      1.9488395180
18
# ORCA AIMD Position Step 565, t=565.00 fs, E_Pot=-685.23438959 Hartree, Unit is Angstrom
 C      1.2204359913      2.4781461918      2.1805882823
 C      0.0554139920      2.8006930715      2.1294587110
 C     -1.2961082142      2.8763973607      1.9546194884
 C     -2.3619781849      2.5079429788      1.5675647095
 C     -3.1123768515      1.7209864234      0.7396462347
 C     -3.4517577921      1.0109903584     -0.1823802991
 C     -3.5561067306     -0.0287854122     -1.1402880917
 C     -3.2145282419     -0.9604467875     -1.8482120284
 C     -2.3825549581     -1.9591758284     -2.3026873529
 C     -1.3647102561     -2.6164311823     -2.2540465309
 C     -0.1016872223     -3.1197232902     -1.9985044764
 C      1.0718349609     -3.0305063173     -1.6519117991
 C      2.2226964190     -2.6303423567     -1.1308516469
 C      3.1661857507     -2.0155078863     -0.6314058804
 C      3.6984952565     -0.9509683900      0.0439964632
 C      3.7155469210      0.0483418633      0.7569603229
 C      3.3011905427      1.1635696628      1.4755432200
 C      2.4098193310      1.8420184083      1.9471424380
18
# ORCA AIMD Position Step 566, t=566.00 fs, E_Pot=-685.23366811 Hartree, Unit is Angstrom
 C      1.2226748073      2.4790898416      2.1883443063
 C      0.0567728438      2.7950601124      2.1403770155
 C     -1.2967492830      2.8770584423      1.9593498247
 C     -2.3651135761      2.5043641744      1.5674397065
 C     -3.1036216048      1.7334679245      0.7428857414
 C     -3.4468335425      1.0063806739     -0.1842713180
 C     -3.5492280030     -0.0264357933     -1.1414374380
 C     -3.2144279624     -0.9579205627     -1.8479976400
 C     -2.3867349649     -1.9570281831     -2.3066056707
 C     -1.3665958337     -2.6157336160     -2.2614821015
 C     -0.0988129638     -3.1215058822     -2.0062869480
 C      1.0696552159     -3.0308944720     -1.6560090500
 C      2.2137582339     -2.6302127200     -1.1374123166
 C      3.1695351793     -2.0119854659     -0.6275384601
 C      3.6945506803     -0.9553463969      0.0455527088
 C      3.7139393988      0.0432180508      0.7578482702
 C      3.2989320530      1.1578443326      1.4765149902
 C      2.4085895017      1.8447167614      1.9454363094
18
# ORCA AIMD Position Step 567, t=567.00 fs, E_Pot=-685.23237196 Hartree, Unit is Angstrom
 C      1.2257195619      2.4797535996      2.1959585076
 C      0.0572818555      2.7897785374      2.1515973734
 C     -1.2954712820      2.8779896414      1.9647581823
 C     -2.3690626135      2.5002901565      1.5666905579
 C     -3.0957013045      1.7453680023      0.7448500760
 C     -3.4420272040      1.0009251955     -0.1863926920
 C     -3.5420225760     -0.0228730493     -1.1415248120
 C     -3.2139710140     -0.9555593013     -1.8477453659
 C     -2.3911513575     -1.9545269866     -2.3100615726
 C     -1.3675546886     -2.6157148366     -2.2688548380
 C     -0.0966176017     -3.1224360138     -2.0143723394
 C      1.0659852108     -3.0318063072     -1.6606208274
 C      2.2077179053     -2.6288807494     -1.1428148263
 C      3.1710743471     -2.0091315396     -0.6244300979
 C      3.6905775636     -0.9591971175      0.0478217085
 C      3.7122025002      0.0383225173      0.7587189952
 C      3.2965516570      1.1510375327      1.4769395650
 C      2.4072215137      1.8477189289      1.9436674744
18
# ORCA AIMD Position Step 568, t=568.00 fs, E_Pot=-685.23155908 Hartree, Unit is Angstrom
 C      1.2295338006      2.4801535243      2.2034296961
 C      0.0568133656      2.7848719290      2.1631028325
 C     -1.2926837404      2.8790077595      1.9707132149
 C     -2.3729647894      2.4962397031      1.5658455892
 C     -3.0891990704      1.7557625163      0.7445181991
 C     -3.4370693062      0.9953114954     -0.1880131186
 C     -3.5345430571     -0.0180647036     -1.1405090381
 C     -3.2131090492     -0.9534911133     -1.8475631138
 C     -2.3955484531     -1.9518358633     -2.3130581158
 C     -1.3677119908     -2.6162678716     -2.2761553895
 C     -0.0956295014     -3.1224895129     -2.0229096537
 C      1.0612018278     -3.0332111890     -1.6656537696
 C      2.2050498302     -2.6260565541     -1.1467885124
 C      3.1702533865     -2.0074207110     -0.6224583434
 C      3.6866530965     -0.9625027747      0.0508032500
 C      3.7103218153      0.0338209175      0.7597032651
 C      3.2938709161      1.1433128468      1.4769046886
 C      2.4059600195      1.8508171569      1.9417514757
18
# ORCA AIMD Position Step 569, t=569.00 fs, E_Pot=-685.23207812 Hartree, Unit is Angstrom
 C      1.2339385811      2.4803492211      2.2107548783
 C      0.0554448621      2.7803252254      2.1748833484
 C     -1.2889425487      2.8799020386      1.9770320454
 C     -2.3759435962      2.4927088866      1.5654246029
 C     -3.0845603714      1.7639482736      0.7411447054
 C     -3.4317736097      0.9900931194     -0.1885969673
 C     -3.5268118703     -0.0121250996     -1.1384670899
 C     -3.2118393679     -0.9517252367     -1.8474695179
 C     -2.3996057400     -1.9491640927     -2.3156011326
 C     -1.3673231043     -2.6172215641     -2.2833857315
 C     -0.0962802845     -3.1216647609     -2.0320217737
 C      1.0558500036     -3.0350179672     -1.6709342419
 C      2.2057350924     -2.6217209661     -1.1493108027
 C      3.1668600145     -2.0070541509     -0.6217903570
 C      3.6828319979     -0.9653258148      0.0544399393
 C      3.7082887277      0.0298558308      0.7609189136
 C      3.2906883138      1.1348931093      1.4765300882
 C      2.4050745227      1.8537762883      1.9395915720
18
# ORCA AIMD Position Step 570, t=570.00 fs, E_Pot=-685.23414512 Hartree, Unit is Angstrom
 C      1.2386285326      2.4804306548      2.2179196820
 C      0.0534121326      2.7761006148      2.1869166578
 C     -1.2847998180      2.8804692356      1.9835212906
 C     -2.3772821805      2.4900719020      1.5658175860
 C     -3.0820142092      1.7695477768      0.7343913614
 C     -3.4260635430      0.9856171236     -0.1878744706
 C     -3.5188333396     -0.0052906438     -1.1355703042
 C     -3.2102108722     -0.9501473204     -1.8473927566
 C     -2.4029938692     -1.9467362232     -2.3177045317
 C     -1.3666950832     -2.6183861340     -2.2905471708
 C     -0.0988329327     -3.1199744768     -2.0417709124
 C      1.0505393676     -3.0370876503     -1.6762408910
 C      2.2092662921     -2.6161318551     -1.1506046106
 C      3.1610566690     -2.0079242204     -0.6223529362
 C      3.6791345605     -0.9678108315      0.0586141411
 C      3.7061026863      0.0265361317      0.7624539503
 C      3.2868336383      1.1260228772      1.4759390047
 C      2.4048025830      1.8563779994      1.9371092417
18
# ORCA AIMD Position Step 571, t=571.00 fs, E_Pot=-685.23700846 Hartree, Unit is Angstrom
 C      1.2431929579      2.4805174883      2.2249037115
 C      0.0511822111      2.7721293692      2.1991814930
 C     -1.2808514598      2.8805428360      1.9899760186
 C     -2.3765239330      2.4885199389      1.5672243819
 C     -3.0815341442      1.7725410251      0.7243446896
 C     -3.4199555437      0.9821123732     -0.1857451795
 C     -3.5105981385      0.0019968442     -1.1321606461
 C     -3.2082993580     -0.9485453673     -1.8471787675
 C     -2.4053777270     -1.9447796671     -2.3193832918
 C     -1.3662741785     -2.6195060703     -2.2976464340
 C     -0.1032332726     -3.1174707315     -2.0521181233
 C      1.0457769059     -3.0392628344     -1.6813687804
 C      2.2147911030     -2.6097574887     -1.1510778142
 C      3.1532965298     -2.0097049634     -0.6238888457
 C      3.6755777029     -0.9701148389      0.0631870416
 C      3.7037882973      0.0238708306      0.7643296194
 C      3.2821323949      1.1170336951      1.4752960725
 C      2.4053664520      1.8583999717      1.9342353922
18
# ORCA AIMD Position Step 572, t=572.00 fs, E_Pot=-685.23949624 Hartree, Unit is Angstrom
 C      1.2472290245      2.4807107885      2.2316866170
 C      0.0492238251      2.7683479612      2.2116477103
 C     -1.2774915409      2.8800091965      1.9962565754
 C     -2.3735649305      2.4880271350      1.5695844629
 C     -3.0828199470      1.7733158069      0.7115763279
 C     -3.4135722712      0.9795309566     -0.1824224484
 C     -3.5020905197      0.0092844281     -1.1285819154
 C     -3.2061906207     -0.9466616187     -1.8466426439
 C     -2.4065462213     -1.9434426740     -2.3206554476
 C     -1.3664208036     -2.6203898295     -2.3046966201
 C     -0.1091788946     -3.1142138160     -2.0629456179
 C      1.0418946895     -3.0413867898     -1.6861692644
 C      2.2211224611     -2.6032711286     -1.1513231281
 C      3.1443803031     -2.0117994780     -0.6259158266
 C      3.6721384830     -0.9724329928      0.0679962816
 C      3.7013689139      0.0218262575      0.7665346639
 C      3.2765047653      1.1081827832      1.4747194594
 C      2.4068639198      1.8597155572      1.9309538226
18
# ORCA AIMD Position Step 573, t=573.00 fs, E_Pot=-685.24054693 Hartree, Unit is Angstrom
 C      1.2503721077      2.4810997180      2.2382515831
 C      0.0480753029      2.7646868364      2.2243068479
 C     -1.2750653039      2.8788031988      2.0022499198
 C     -2.3685713433      2.4883908253      1.5726413967
 C     -3.0853534601      1.7725939928      0.6970206826
 C     -3.4071007193      0.9776854279     -0.1782645740
 C     -3.4932930511      0.0160438445     -1.1252551265
 C     -3.2039667846     -0.9442309826     -1.8455893283
 C     -2.4063717026     -1.9428176601     -2.3215472583
 C     -1.3675144715     -2.6208498559     -2.3117240933
 C     -0.1160539554     -3.1102905461     -2.0740511155
 C      1.0389445154     -3.0433300308     -1.6905947016
 C      2.2269843040     -2.5974175352     -1.1520027376
 C      3.1352452251     -2.0135182962     -0.6278551361
 C      3.6687964357     -0.9749120975      0.0729131756
 C      3.6988965590      0.0202312512      0.7689713726
 C      3.2698968439      1.0997499634      1.4743438885
 C      2.4093126707      1.8602623538      1.9272881963
18
# ORCA AIMD Position Step 574, t=574.00 fs, E_Pot=-685.24003530 Hartree, Unit is Angstrom
 C      1.2523966472      2.4817206946      2.2445823035
 C      0.0481412035      2.7610984664      2.2371541402
 C     -1.2736777404      2.8769187408      2.0079314368
 C     -2.3619541739      2.4892935512      1.5759885722
 C     -3.0884841986      1.7713484290      0.6818810054
 C     -3.4007932229      0.9761601608     -0.1738563901
 C     -3.4841953720      0.0218338839     -1.1225292140
 C     -3.2016670689     -0.9410645116     -1.8438751092
 C     -2.4049079654     -1.9428673736     -2.3220752168
 C     -1.3697869825     -2.6207928267     -2.3187636939
 C     -0.1231030162     -3.1057914359     -2.0851973557
 C      1.0367533090     -3.0449974616     -1.6946910162
 C      2.2311426944     -2.5929308001     -1.1537776505
 C      3.1268716726     -2.0141536729     -0.6290968597
 C      3.6655195350     -0.9776474678      0.0778507468
 C      3.6964210324      0.0188787825      0.7715210752
 C      3.2623524566      1.0918980417      1.4742403902
 C      2.4125773973      1.8601023419      1.9233245082
18
# ORCA AIMD Position Step 575, t=575.00 fs, E_Pot=-685.23878660 Hartree, Unit is Angstrom
 C      1.2532518996      2.4825516348      2.2506631907
 C      0.0496455165      2.7575674633      2.2501839670
 C     -1.2732212152      2.8743995879      2.0133555831
 C     -2.3542751646      2.4903714607      1.5791506733
 C     -3.0915342367      1.7706550715      0.6674481944
 C     -3.3949302647      0.9744083518     -0.1698914994
 C     -3.4748054404      0.0263345877     -1.1206597998
 C     -3.1992739429     -0.9370971421     -1.8414422131
 C     -2.4023767211     -1.9434283093     -2.3222431496
 C     -1.3733061537     -2.6202236873     -2.3258508979
 C     -0.1295437710     -3.1008067369     -2.0961437045
 C      1.0349897936     -3.0463280938     -1.6985764637
 C      2.2326531406     -2.5903803272     -1.1571662640
 C      3.1200364620     -2.0131616512     -0.6291555875
 C      3.6622833977     -0.9806677906      0.0827718501
 C      3.6939922846      0.0175421829      0.7740552064
 C      3.2539982151      1.0846841536      1.4744228830
 C      2.4163889563      1.8594120370      1.9192080786
18
# ORCA AIMD Position Step 576, t=576.00 fs, E_Pot=-685.23790420 Hartree, Unit is Angstrom
 C      1.2530798342      2.4835126639      2.2564694206
 C      0.0525815439      2.7541166556      2.2633813486
 C     -1.2733796866      2.8713309598      2.0186525966
 C     -2.3461727012      2.4912655521      1.5816477331
 C     -3.0938956009      1.7715258325      0.6549111963
 C     -3.3897722192      0.9718733295     -0.1670394899
 C     -3.4651613242      0.0293824878     -1.1197782449
 C     -3.1967068666     -0.9324280316     -1.8383485001
 C     -2.3991601155     -1.9442152825     -2.3220377401
 C     -1.3779491035     -2.6192541435     -2.3330139828
 C     -0.1346943289     -3.0954190428     -2.1066797966
 C      1.0332594417     -3.0472908540     -1.7024081547
 C      2.2310659761     -2.5900355188     -1.1624165212
 C      3.1151016359     -2.0103146850     -0.6278084885
 C      3.6590791112     -0.9839405104      0.0876829105
 C      3.6916576272      0.0160178442      0.7764625577
 C      3.2450422921      1.0780524908      1.4748438773
 C      2.4203600855      1.8584731278      1.9151382953
18
# ORCA AIMD Position Step 577, t=577.00 fs, E_Pot=-685.23795696 Hartree, Unit is Angstrom
 C      1.2522063244      2.4844736482      2.2619658048
 C      0.0567069047      2.7508099785      2.2767141150
 C     -1.2736914190      2.8678249454      2.0240034998
 C     -2.3382882216      2.4916591120      1.5830430389
 C     -3.0951105467      1.7747265197      0.6451706097
 C     -3.3855061191      0.9681572261     -0.1657760830
 C     -3.4553406789      0.0309801837     -1.1198861236
 C     -3.1938303173     -0.9273283227     -1.8347754897
 C     -2.3957711906     -1.9448448469     -2.3214311644
 C     -1.3833952920     -2.6181015149     -2.3402673526
 C     -0.1380630578     -3.0896989432     -2.1166463304
 C      1.0311861533     -3.0478788691     -1.7063495454
 C      2.2265183113     -2.5917991738     -1.1694361936
 C      3.1119116962     -2.0057810398     -0.6251722041
 C      3.6559204150     -0.9873819680      0.0926211302
 C      3.6894560147      0.0141557096      0.7786673326
 C      3.2357626107      1.0718523072      1.4754011699
 C      2.4240254732      1.8576406778      1.9113541763
18
# ORCA AIMD Position Step 578, t=578.00 fs, E_Pot=-685.23866804 Hartree, Unit is Angstrom
 C      1.2511035957      2.4852725815      2.2671089575
 C      0.0615718223      2.7477446382      2.2901301557
 C     -1.2736324828      2.8640015579      2.0296070678
 C     -2.3311872328      2.4913081120      1.5829883008
 C     -3.0949362860      1.7806010703      0.6386658614
 C     -3.3821909984      0.9631929505     -0.1662178588
 C     -3.4454651388      0.0312965722     -1.1208598428
 C     -3.1904717777     -0.9222311842     -1.8310240029
 C     -2.3927914870     -1.9448839206     -2.3203877443
 C     -1.3891603865     -2.6170632638     -2.3476078557
 C     -0.1394199003     -3.0837009804     -2.1259527721
 C      1.0284824624     -3.0481037011     -1.7105406159
 C      2.2196762574     -2.5952369900     -1.1778131084
 C      3.1098459402     -2.0000935270     -0.6216830596
 C      3.6528427153     -0.9908856315      0.0976335459
 C      3.6874184404      0.0118842664      0.7806451444
 C      3.2264748542      1.0658710679      1.4759555239
 C      2.4268993933      1.8572977968      1.9081081320
18
# ORCA AIMD Position Step 579, t=579.00 fs, E_Pot=-685.23936202 Hartree, Unit is Angstrom
 C      1.2503173647      2.4857413023      2.2718547232
 C      0.0665967082      2.7450355870      2.3035675541
 C     -1.2727371187      2.8599603189      2.0356368490
 C     -2.3252642691      2.4900732448      1.5812710157
 C     -3.0933695851      1.7889877690      0.6353010758
 C     -3.3797367100      0.9573295794     -0.1680531886
 C     -3.4356904732      0.0306414834     -1.1224729869
 C     -3.1864461326     -0.9176836476     -1.8274841115
 C     -2.3907749661     -1.9439239067     -2.3188750471
 C     -1.3946820878     -2.6164633744     -2.3550193415
 C     -0.1388215536     -3.0774627855     -2.1345902367
 C      1.0250014225     -3.0479907120     -1.7150758413
 C      2.2115369774     -2.5996985064     -1.1869248657
 C      3.1080033454     -1.9940143400     -0.6179835491
 C      3.6498939578     -0.9943562985      0.1027561718
 C      3.6855655415      0.0092182978      0.7824279545
 C      3.2174772392      1.0598911651      1.4763654999
 C      2.4285561923      1.8577871019      1.9056259050
18
# ORCA AIMD Position Step 580, t=580.00 fs, E_Pot=-685.23962664 Hartree, Unit is Angstrom
 C      1.2503671701      2.4857361699      2.2761686761
 C      0.0711835680      2.7427926275      2.3169687557
 C     -1.2707097678      2.8557527592      2.0421996139
 C     -2.3206619199      2.4879423073      1.5778511546
 C     -3.0906155788      1.7992801725      0.6345160911
 C     -3.3779292801      0.9512715366     -0.1706205169
 C     -3.4261864932      0.0294176202     -1.1244340896
 C     -3.1815870001     -0.9142649017     -1.8245793861
 C     -2.3901315784     -1.9416699925     -2.3168778083
 C     -1.3994427768     -2.6165788294     -2.3624797737
 C     -0.1365943766     -3.0710058361     -2.1426353623
 C      1.0207689457     -3.0475720100     -1.7199897865
 C      2.2031788982     -2.6044746482     -1.1960888012
 C      3.1054335564     -1.9883549187     -0.6147662138
 C      3.6471202119     -0.9977453216      0.1079942142
 C      3.6839067719      0.0062492938      0.7840986291
 C      3.2089857997      1.0537567531      1.4765272953
 C      2.4287118461      1.8593373289      1.9040637507
18
# ORCA AIMD Position Step 581, t=581.00 fs, E_Pot=-685.23957252 Hartree, Unit is Angstrom
 C      1.2516370501      2.4851685200      2.2800370368
 C      0.0748345016      2.7410976443      2.3302881249
 C     -1.2674902583      2.8513682357      2.0493075868
 C     -2.3172378406      2.4850338588      1.5728740160
 C     -3.0870166638      1.8106019681      0.6354660393
 C     -3.3764926424      0.9459006556     -0.1730930456
 C     -3.4171138870      0.0280542920     -1.1264355151
 C     -3.1757812598     -0.9124817868     -1.8226930786
 C     -2.3910227320     -1.9380226848     -2.3144144896
 C     -1.4030894741     -2.6175683444     -2.3699633921
 C     -0.1332830319     -3.0643393508     -2.1502403268
 C      1.0159948218     -3.0468786678     -1.7252490052
 C      2.1955570379     -2.6089307826     -1.2046902102
 C      3.1013223522     -1.9838196165     -0.6126370226
 C      3.6445506058     -1.0010777788      0.1133060856
 C      3.6824415005      0.0031220239      0.7857748336
 C      3.2010877245      1.0474305803      1.4764064215
 C      2.4272808984      1.8620075775      1.9034780938
18
# ORCA AIMD Position Step 582, t=582.00 fs, E_Pot=-685.23958486 Hartree, Unit is Angstrom
 C      1.2542840719      2.4840269309      2.2834744692
 C      0.0772484078      2.7399868158      2.3434899073
 C     -1.2632532970      2.8467389625      2.0568732067
 C     -2.3145957256      2.4815781502      1.5666537337
 C     -3.0829731341      1.8220086888      0.6372221709
 C     -3.3751539344      0.9420694339     -0.1746815691
 C     -3.4086012334      0.0269327646     -1.1282029668
 C     -3.1690049790     -0.9126581310     -1.8220894729
 C     -2.3933042006     -1.9331279888     -2.3115534323
 C     -1.4055093751     -2.6194294813     -2.3774391499
 C     -0.1295727730     -3.0574661984     -2.1576109650
 C      1.0110568764     -3.0459335725     -1.7307531532
 C      2.1893764599     -2.6125878099     -1.2122616456
 C      3.0951033457     -1.9809032471     -0.6120246735
 C      3.6421847341     -1.0044633690      0.1185947962
 C      3.6811607693      0.0000030086      0.7875863047
 C      3.1937292642      1.0410197192      1.4760503800
 C      2.4243949878      1.8656666656      1.9038161000
18
# ORCA AIMD Position Step 583, t=583.00 fs, E_Pot=-685.23991487 Hartree, Unit is Angstrom
 C      1.2581885670      2.4823877576      2.2865303810
 C      0.0783708553      2.7394426290      2.3565400173
 C     -1.2583496611      2.8417610613      2.0647277310
 C     -2.3121682484      2.4778803148      1.5596279517
 C     -3.0788782527      1.8326495881      0.6389347950
 C     -3.3736908993      0.9404353237     -0.1747948733
 C     -3.4007295333      0.0263244092     -1.1295352651
 C     -3.1613527421     -0.9148419418     -1.8228463643
 C     -2.3965347151     -1.9273832617     -2.3084244761
 C     -1.4068357353     -2.6219981868     -2.3848671842
 C     -0.1261921939     -3.0503897414     -2.1649740240
 C      1.0064501916     -3.0447477996     -1.7363506646
 C      2.1850302913     -2.6151621793     -1.2185238829
 C      3.0865126467     -1.9798364860     -0.6131306027
 C      3.6399845136     -1.0080856991      0.1237109893
 C      3.6800487772     -0.0029539553      0.7896498346
 C      3.1867425464      1.0347612150      1.4755777174
 C      2.4203786161      1.8700125773      1.9049286859
18
# ORCA AIMD Position Step 584, t=584.00 fs, E_Pot=-685.24047441 Hartree, Unit is Angstrom
 C      1.2629621072      2.4804104342      2.2892896658
 C      0.0783884095      2.7393969757      2.3694007425
 C     -1.2532188933      2.8363221917      2.0726550984
 C     -2.3093281158      2.4742724236      1.5522937762
 C     -3.0750674423      1.8418760363      0.6399417128
 C     -3.3719584851      0.9413587208     -0.1731327460
 C     -3.3935232179      0.0263557413     -1.1303218674
 C     -3.1530508910     -0.9187543090     -1.8248204738
 C     -2.4000498365     -1.9213917324     -2.3052220506
 C     -1.4073921343     -2.6249916032     -2.3922006146
 C     -0.1237996958     -3.0431189593     -2.1725383288
 C      1.0026986329     -3.0433218486     -1.7418696168
 C      2.1825840879     -2.6165789809     -1.2234004985
 C      3.0756044635     -1.9805714801     -0.6159118393
 C      3.6378724646     -1.0121680519      0.1284728280
 C      3.6790816396     -0.0056420280      0.7920458159
 C      3.1798982193      1.0289713116      1.4751501285
 C      2.4156933754      1.8746261258      1.9065988759
18
# ORCA AIMD Position Step 585, t=585.00 fs, E_Pot=-685.24092192 Hartree, Unit is Angstrom
 C      1.2680125545      2.4783179205      2.2918697766
 C      0.0776733296      2.7397442073      2.3820296614
 C     -1.2483041594      2.8303249950      2.0804300613
 C     -2.3054952435      2.4710647213      1.5451349364
 C     -3.0717802061      1.8492979241      0.6398280899
 C     -3.3698966570      0.9448726276     -0.1697088813
 C     -3.3869516722      0.0270092413     -1.1305409680
 C     -3.1444476970     -0.9238053217     -1.8276580234
 C     -2.4030757134     -1.9158802155     -2.3021944440
 C     -1.4076002263     -2.6280747657     -2.3993915570
 C     -0.1228653244     -3.0356723782     -2.1804536192
 C      1.0002398630     -3.0416502520     -1.7471621151
 C      2.1817899103     -2.6169677659     -1.2270165521
 C      3.0627387058     -1.9827993433     -0.6200904047
 C      3.6357397377     -1.0169215528      0.1327002675
 C      3.6782259009     -0.0080300157      0.7947993519
 C      3.1729635267      1.0239758502      1.4749346952
 C      2.4108637507      1.8790438851      1.9085817757
18
# ORCA AIMD Position Step 586, t=586.00 fs, E_Pot=-685.24090995 Hartree, Unit is Angstrom
 C      1.2726443784      2.4763649020      2.2944117437
 C      0.0766983359      2.7403616542      2.3943833831
 C     -1.2439819734      2.8237027052      2.0878535031
 C     -2.3002223418      2.4685046860      1.5385542583
 C     -3.0691344209      1.8548014119      0.6384499460
 C     -3.3675251324      0.9507075935     -0.1648225181
 C     -3.3809411567      0.0281574996     -1.1302354142
 C     -3.1359764760     -0.9291780733     -1.8308522115
 C     -2.4048546796     -1.9115968203     -2.2996193661
 C     -1.4078828191     -2.6309314619     -2.4064005654
 C     -0.1235769548     -3.0280801830     -2.1887779636
 C      0.9993134777     -3.0397269601     -1.7521505000
 C      2.1821282540     -2.6166431812     -1.2296827583
 C      3.0485431180     -1.9859934509     -0.6251840957
 C      3.6334598610     -1.0224906584      0.1362549574
 C      3.6774378648     -0.0101813954      0.7978686393
 C      3.1657540604      1.0200444837      1.4750686781
 C      2.4063999694      1.8828312049      1.9106432645
18
# ORCA AIMD Position Step 587, t=587.00 fs, E_Pot=-685.24033961 Hartree, Unit is Angstrom
 C      1.2761702212      2.4748026898      2.2970638907
 C      0.0759470725      2.7411292028      2.4064236160
 C     -1.2405161494      2.8164255301      2.0947788588
 C     -2.2932464106      2.4667515423      1.5328270281
 C     -3.0671159972      1.8585387367      0.6359285031
 C     -3.3649332348      0.9583475185     -0.1590005781
 C     -3.3753924602      0.0296148072     -1.1294798916
 C     -3.1280944383     -0.9339638435     -1.8338322335
 C     -2.4047638294     -1.9092000182     -2.2977666532
 C     -1.4085849879     -2.6333202195     -2.4132063729
 C     -0.1257972780     -3.0203875247     -2.1974624333
 C      0.9998863402     -3.0375508573     -1.7568604225
 C      2.1828844946     -2.6160641925     -1.2318548500
 C      3.0338449658     -1.9894773854     -0.6305638351
 C      3.6309048151     -1.0289091476      0.1390715748
 C      3.6766627142     -0.0122564603      0.8011470540
 C      3.1581689536      1.0173403594      1.4756350193
 C      2.4027299120      1.8856435431      1.9125933337
18
# ORCA AIMD Position Step 588, t=588.00 fs, E_Pot=-685.23948466 Hartree, Unit is Angstrom
 C      1.2780140256      2.4738443370      2.2999637872
 C      0.0758372734      2.7419455539      2.4181206672
 C     -1.2380339050      2.8085033166      2.1011282000
 C     -2.2845062955      2.4658687421      1.5280815488
 C     -3.0655868453      1.8608917035      0.6326166586
 C     -3.3622666103      0.9671033757     -0.1529236949
 C     -3.3702003419      0.0311847726     -1.1283541375
 C     -3.1212060422     -0.9373194062     -1.8360609991
 C     -2.4024194367     -1.9091472969     -2.2968533241
 C     -1.4099196036     -2.6351111481     -2.4198118867
 C     -0.1290882168     -3.0126573997     -2.2063600415
 C      1.0016398035     -3.0351313626     -1.7614294433
 C      2.1832623197     -2.6157657145     -1.2340664834
 C      3.0195680610     -1.9925186490     -0.6355346602
 C      3.6279629903     -1.0360764158      0.1411785296
 C      3.6758347903     -0.0144942033      0.8044748382
 C      3.1502106386      1.0158893557      1.4766450302
 C      2.4001429868      1.8872711570      1.9143114207
18
# ORCA AIMD Position Step 589, t=589.00 fs, E_Pot=-685.23887369 Hartree, Unit is Angstrom
 C      1.2778012645      2.4736334672      2.3032159779
 C      0.0766575434      2.7427400643      2.4294552445
 C     -1.2365110523      2.7999882131      2.1069034721
 C     -2.2741410616      2.4658276277      1.5243000730
 C     -3.0643104645      1.8624107824      0.6290385596
 C     -3.3597105176      0.9761975455     -0.1473429159
 C     -3.3652711780      0.0326954284     -1.1269254719
 C     -3.1155869012     -0.9386141293     -1.8371231563
 C     -2.3977629991     -1.9115936343     -2.2969979113
 C     -1.4119288278     -2.6363079510     -2.4262469478
 C     -0.1327977985     -3.0049725482     -2.2152555757
 C      1.0040240157     -3.0324916702     -1.7660875360
 C      2.1825345942     -2.6162616283     -1.2368313096
 C      3.0065898277     -1.9944459077     -0.6394446451
 C      3.6245529687     -1.0437633662      0.1426964612
 C      3.6748786312     -0.0171741161      0.8076649405
 C      3.1419917493      1.0155672444      1.4780317559
 C      2.3987477796      1.8876670407      1.9157638696
18
# ORCA AIMD Position Step 590, t=590.00 fs, E_Pot=-685.23889591 Hartree, Unit is Angstrom
 C      1.2754269194      2.4742197331      2.3068742639
 C      0.0785137010      2.7434808335      2.4404154901
 C     -1.2357602424      2.7909788649      2.1121945914
 C     -2.2624770301      2.4665193349      1.5213329588
 C     -3.0629954668      1.8637242250      0.6257997325
 C     -3.3574646657      0.9848604982     -0.1429871506
 C     -3.3605375888      0.0340275733     -1.1252350237
 C     -3.1113315816     -0.9375369410     -1.8367882762
 C     -2.3911131182     -1.9163260953     -2.2981881666
 C     -1.4144547967     -2.6370605497     -2.4325663475
 C     -0.1361891974     -2.9974341824     -2.2239086983
 C      1.0063569646     -3.0296700852     -1.7711179028
 C      2.1802124459     -2.6179263590     -1.2405235134
 C      2.9955769665     -1.9947790719     -0.6418097586
 C      3.6206326630     -1.0516425801      0.1438174557
 C      3.6737109436     -0.0205661909      0.8105350975
 C      3.1337346065      1.0161014310      1.4796500605
 C      2.3984499861      1.8869591656      1.9170124305
18
# ORCA AIMD Position Step 591, t=591.00 fs, E_Pot=-685.23941859 Hartree, Unit is Angstrom
 C      1.2710936478      2.4755479999      2.3109319598
 C      0.0812897951      2.7441791924      2.4509953753
 C     -1.2354298917      2.7816212049      2.1171823990
 C     -2.2500020402      2.4677719724      1.5189226362
 C     -3.0613509624      1.8654221741      0.6234727258
 C     -3.3557094018      0.9924370048     -0.1404636681
 C     -3.3559681802      0.0351405841     -1.1232838087
 C     -3.1083408522     -0.9341402339     -1.8350389377
 C     -2.3831610843     -1.9227601670     -2.3002759026
 C     -1.4171263339     -2.6376652672     -2.4388453233
 C     -0.1385823649     -2.9901538748     -2.2321014480
 C      1.0079437940     -3.0267206643     -1.7768078090
 C      2.1761814552     -2.6208891125     -1.2452728829
 C      2.9868452009     -1.9933416103     -0.6424220576
 C      3.6162033362     -1.0593350098      0.1447750106
 C      3.6722451751     -0.0248781656      0.8129409810
 C      3.1257581148      1.0170881749      1.4812849253
 C      2.3989581502      1.8854393900      1.9182080594
18
# ORCA AIMD Position Step 592, t=592.00 fs, E_Pot=-685.23986032 Hartree, Unit is Angstrom
 C      1.2653067232      2.4774638098      2.3153225190
 C      0.0846378962      2.7448895123      2.4612002131
 C     -1.2350306560      2.7720993837      2.1221302533
 C     -2.2373157438      2.4693747691      1.5167373772
 C     -3.0591452332      1.8679332954      0.6224759045
 C     -3.3545684696      0.9984967708     -0.1401594799
 C     -3.3515715402      0.0360870638     -1.1210238107
 C     -3.1063491961     -0.9288106850     -1.8320605734
 C     -2.3748860214     -1.9300192322     -2.3030011724
 C     -1.4193878672     -2.6385367252     -2.4451755557
 C     -0.1394780244     -2.9832419280     -2.2396807418
 C      1.0081965684     -3.0237087556     -1.7834012030
 C      2.1707439293     -2.6249900709     -1.2509216465
 C      2.9802986461     -1.9903072175     -0.6414001313
 C      3.6113076334     -1.0664658990      0.1458095642
 C      3.6703950982     -0.0302127338      0.8148043960
 C      3.1184408738      1.0180347644      1.4826750782
 C      2.3998311237      1.8835205772      1.9195680320
18
# ORCA AIMD Position Step 593, t=593.00 fs, E_Pot=-685.23972989 Hartree, Unit is Angstrom
 C      1.2588124282      2.4797381630      2.3199337260
 C      0.0880159608      2.7457030373      2.4710549069
 C     -1.2340046983      2.7626132454      2.1273530705
 C     -2.2250484421      2.4711103400      1.5144215853
 C     -3.0562547637      1.8714259631      0.6229745153
 C     -3.3540762747      1.0029225784     -0.1421656321
 C     -3.3473924704      0.0370102884     -1.1183599465
 C     -3.1049852295     -0.9221807990     -1.8281962159
 C     -2.3673855394     -1.9370926517     -2.3060433614
 C     -1.4205962032     -2.6401385817     -2.4516567832
 C     -0.1386419530     -2.9767934503     -2.2465920195
 C      1.0067409376     -3.0207017423     -1.7910573125
 C      2.1645360612     -2.6298238444     -1.2570682213
 C      2.9754785752     -1.9861557463     -0.6391522830
 C      3.6060203848     -1.0727205516      0.1471349399
 C      3.6680814526     -0.0365447568      0.8161298984
 C      3.1121604053      1.0184315552      1.4835526043
 C      2.4005645586      1.8816579585      1.9213333983
18
# ORCA AIMD Position Step 594, t=594.00 fs, E_Pot=-685.23911151 Hartree, Unit is Angstrom
 C      1.2524910434      2.4821049260      2.3246299061
 C      0.0907760934      2.7467336478      2.4806095029
 C     -1.2318357531      2.7533479879      2.1331604925
 C     -2.2137613392      2.4727906999      1.5116573382
 C     -3.0526863162      1.8757722153      0.6248430889
 C     -3.3541646382      1.0059346150     -0.1462569627
 C     -3.3435017643      0.0381212618     -1.1151647975
 C     -3.1038407274     -0.9150126113     -1.8238834938
 C     -2.3616560678     -1.9430347356     -2.3090826842
 C     -1.4201821909     -2.6428724192     -2.4583817325
 C     -0.1361470801     -2.9708801725     -2.2528984390
 C      1.0035087045     -3.0177564417     -1.7998132197
 C      2.1583549144     -2.6348493228     -1.2631772882
 C      2.9716994117     -1.9815561420     -0.6362701595
 C      3.6004338879     -1.0778976188      0.1489025395
 C      3.6652370733     -0.0437113122      0.8170137345
 C      3.1072185891      1.0178467750      1.4836929256
 C      2.4007007778      1.8802453277      1.9237137072
18
# ORCA AIMD Position Step 595, t=595.00 fs, E_Pot=-685.23852343 Hartree, Unit is Angstrom
 C      1.2471965200      2.4843092206      2.3292795888
 C      0.0923068282      2.7480913434      2.4899325461
 C     -1.2281739905      2.7444465185      2.1397843748
 C     -2.2038367687      2.4742929146      1.5082402220
 C     -3.0485695087      1.8805924059      0.6276995143
 C     -3.3546818982      1.0080351482     -0.1519400777
 C     -3.3399813042      0.0396349461     -1.1113259873
 C     -3.1025409123     -0.9080600802     -1.8195712948
 C     -2.3583776180     -1.9471551629     -2.3118615302
 C     -1.4178276601     -2.6469556305     -2.4654125684
 C     -0.1323493735     -2.9655497276     -2.2587676427
 C      0.9987678756     -3.0149126344     -1.8095742927
 C      2.1529594387     -2.6395242266     -1.2687154631
 C      2.9682270795     -1.9772195319     -0.6333901632
 C      3.5946439383     -1.0819185518      0.1511908892
 C      3.6618137635     -0.0514425434      0.8176222360
 C      3.1037774142      1.0160142434      1.4829622589
 C      2.3999288688      1.8795241220      1.9268374578
18
# ORCA AIMD Position Step 596, t=596.00 fs, E_Pot=-685.23831463 Hartree, Unit is Angstrom
 C      1.2436025868      2.4861516182      2.3337816094
 C      0.0921843196      2.7498560851      2.4990961637
 C     -1.2229375809      2.7359916500      2.1473161656
 C     -2.1954150413      2.4755775225      1.5041267009
 C     -3.0441209630      1.8853530016      0.6309979934
 C     -3.3554253579      1.0098971265     -0.1585547582
 C     -3.3369093046      0.0417113821     -1.1067838210
 C     -3.1007856813     -0.9019691684     -1.8156539512
 C     -2.3577696677     -1.9491402160     -2.3142209977
 C     -1.4136124443     -2.6523267424     -2.4727616886
 C     -0.1278435630     -2.9608318889     -2.2644548496
 C      0.9931390043     -3.0121873030     -1.8201018283
 C      2.1489214989     -2.6434030630     -1.2732561735
 C      2.9644203800     -1.9737770962     -0.6310779186
 C      3.5887318800     -1.0848479055      0.1539851346
 C      3.6577859683     -0.0593774084      0.8181790948
 C      3.1018198991      1.0128898603      1.4813498275
 C      2.3981516328      1.8795203725      1.9307155100
18
# ORCA AIMD Position Step 597, t=597.00 fs, E_Pot=-685.23827134 Hartree, Unit is Angstrom
 C      1.2420816272      2.4875190151      2.3380838457
 C      0.0903028910      2.7520544793      2.5081649658
 C     -1.2163653116      2.7280006425      2.1556678864
 C     -2.1883792927      2.4766857544      1.4994496814
 C     -3.0395896809      1.8894941213      0.6341522396
 C     -3.3561853248      1.0122277254     -0.1653959729
 C     -3.3343403472      0.0444015604     -1.1015681323
 C     -3.0983734933     -0.8972048982     -1.8124170949
 C     -2.3595571572     -1.9490779116     -2.3161116812
 C     -1.4080598254     -2.6586202473     -2.4803818020
 C     -0.1233934928     -2.9567401181     -2.2702813276
 C      0.9875472221     -3.0095799541     -1.8310258978
 C      2.1465452972     -2.6461938704     -1.2765382998
 C      2.9598240320     -1.9716880431     -0.6297421391
 C      3.5827493840     -1.0869072174      0.1571578209
 C      3.6531530288     -0.0670876371      0.8189487440
 C      3.1011460887      1.0086696451      1.4789773355
 C      2.3955020463      1.8800284180      1.9352294515
18
# ORCA AIMD Position Step 598, t=598.00 fs, E_Pot=-685.23790594 Hartree, Unit is Angstrom
 C      1.2426395826      2.4884005388      2.3421958961
 C      0.0869412694      2.7546481543      2.5171881279
 C     -1.2089823985      2.7204354801      2.1645875641
 C     -2.1824074116      2.4777158518      1.4944840573
 C     -3.0352005420      1.8925428542      0.6366486036
 C     -3.3567836561      1.0156494151     -0.1718288352
 C     -3.3322931831      0.0476079106     -1.0958201945
 C     -3.0952100507     -0.8939970005     -1.8099964939
 C     -2.3630822106     -1.9473774501     -2.3175823590
 C     -1.4020361571     -2.6652447539     -2.4881813297
 C     -0.1197942876     -2.9532790106     -2.2765811387
 C      0.9830735131     -3.0070766515     -1.8419057870
 C      2.1458413363     -2.6477889485     -1.2785012825
 C      2.9542285643     -1.9711815367     -0.6295788512
 C      3.5767068863     -1.0884441846      0.1604875752
 C      3.6479366886     -0.0741328884      0.8202028408
 C      3.1014124107      1.0037420719      1.4760771292
 C      2.3923011259      1.8806637104      1.9401560823
18
# ORCA AIMD Position Step 599, t=599.00 fs, E_Pot=-685.23701521 Hartree, Unit is Angstrom
 C      1.2449501014      2.4888763709      2.3461849246
 C      0.0827233026      2.7575438549      2.5261997461
 C     -1.2015003851      2.7132207756      2.1737129788
 C     -2.1770724423      2.4787853293      1.4895759678
 C     -3.0311045639      1.8941998970      0.6381361511
 C     -3.3571005973      1.0206064170     -0.1773806159
 C     -3.3307429106      0.0510922727     -1.0897835053
 C     -3.0913035763     -0.8923320580     -1.8083669687
 C     -2.3674906339     -1.9446282481     -2.3187489372
 C     -1.3965713296     -2.6715158591     -2.4960509243
 C     -0.1176989915     -2.9504509805     -2.2836383079
 C      0.9807400026     -3.0046532543     -1.8523217019
 C      2.1465521232     -2.6482652644     -1.2792809300
 C      2.9476848603     -1.9722378075     -0.6305518171
 C      3.5705699148     -1.0898774413      0.1636946142
 C      3.6421755442     -0.0801229574      0.8221808031
 C      3.1021989380      0.9986042990      1.4729486719
 C      2.3889783680      1.8809482433      1.9452177867
18
# ORCA AIMD Position Step 600, t=600.00 fs, E_Pot=-685.23589812 Hartree, Unit is Angstrom
 C      1.2484665589      2.4890859803      2.3501591382
 C      0.0784924158      2.7606162531      2.5352228294
 C     -1.1946852674      2.7062690091      2.1826464148
 C     -2.1719547703      2.4799940385      1.4850613667
 C     -3.0273459213      1.8943782033      0.6384742057
 C     -3.3570876218      1.0273139348     -0.1817972547
 C     -3.3296285439      0.0545194042     -1.0837653516
 C     -3.0867451365     -0.8919895032     -1.8073639900
 C     -2.3719212049     -1.9414556231     -2.3197594805
 C     -1.3926682267     -2.6767854637     -2.5038878776
 C     -0.1174457146     -2.9482651655     -2.2916198318
 C      0.9812734270     -3.0022811640     -1.8619715235
 C      2.1482113369     -2.6478637137     -1.2791838623
 C      2.9404859325     -1.9746057664     -0.6324061442
 C      3.5642683567     -1.0916159660      0.1664968505
 C      3.6359182468     -0.0847844418      0.8250479700
 C      3.1030816115      0.9937723552      1.4699097551
 C      2.3859793671      1.8804066925      1.9501355847
18
# ORCA AIMD Position Step 601, t=601.00 fs, E_Pot=-685.23506072 Hartree, Unit is Angstrom
 C      1.2525610520      2.4891877270      2.3542428361
 C      0.0751517358      2.7637342753      2.5442717237
 C     -1.1892378343      2.6995008518      2.1910189384
 C     -2.1667283481      2.4813993729      1.4812054587
 C     -3.0238539103      1.8932065752      0.6377430045
 C     -3.3567671931      1.0357412467     -0.1850602167
 C     -3.3288620818      0.0575166556     -1.0780895314
 C     -3.0816873819     -0.8926027690     -1.8067251447
 C     -2.3756486315     -1.9384097466     -2.3207618329
 C     -1.3911523744     -2.6805376419     -2.5116123248
 C     -0.1189408972     -2.9467399579     -2.3005274103
 C      0.9849229228     -2.9999318375     -1.8707435544
 C      2.1502225297     -2.6469512222     -1.2786391950
 C      2.9331142525     -1.9778549120     -0.6347167470
 C      3.5577188902     -1.0939691919      0.1686730189
 C      3.6292200682     -0.0880204802      0.8288548969
 C      3.1036906205      0.9897095728      1.4672577108
 C      2.3836886356      1.8786484464      1.9546728602
18
# ORCA AIMD Position Step 602, t=602.00 fs, E_Pot=-685.23489290 Hartree, Unit is Angstrom
 C      1.2566505137      2.4893245684      2.3585490349
 C      0.0734972295      2.7667779070      2.5533446181
 C     -1.1856797486      2.6928642117      2.1985434114
 C     -2.1612084997      2.4830074220      1.4781733870
 C     -3.0204603368      1.8910012088      0.6362190293
 C     -3.3562262122      1.0456205791     -0.1873769978
 C     -3.3283466589      0.0597398040     -1.0730491619
 C     -3.0763140255     -0.8937317700     -1.8061408599
 C     -2.3781629479     -1.9359040144     -2.3218799578
 C     -1.3925659750     -2.6824353737     -2.5191683832
 C     -0.1216845265     -2.9459049453     -2.3101962800
 C      0.9914076236     -2.9975853329     -1.8787345664
 C      2.1519545300     -2.6459638478     -1.2781376555
 C      2.9261690919     -1.9814519855     -0.6369562692
 C      3.5508484968     -1.0970721915      0.1701158216
 C      3.6221405524     -0.0899403641      0.8335169788
 C      3.1037455398      0.9867794112      1.4652368094
 C      2.3823732345      1.8754198680      1.9586667959
18
# ORCA AIMD Position Step 603, t=603.00 fs, E_Pot=-685.23549250 Hartree, Unit is Angstrom
 C      1.2602844619      2.4895958082      2.3631598949
 C      0.0740925474      2.7696484650      2.5624156267
 C     -1.1842806906      2.6863461878      2.2050486104
 C     -2.1553584958      2.4847773654      1.4760239027
 C     -3.0169308574      1.8882179083      0.6343246245
 C     -3.3556026675      1.0564870433     -0.1891378137
 C     -3.3279880715      0.0609165514     -1.0688762034
 C     -3.0708212235     -0.8949275155     -1.8053002142
 C     -2.3792017253     -1.9341819697     -2.3232004010
 C     -1.3971044250     -2.6823455805     -2.5265192645
 C     -0.1248954935     -2.9457878605     -2.3203367816
 C      0.9999793315     -2.9952379422     -1.8862183120
 C      2.1528507461     -2.6453302258     -1.2781458629
 C      2.9202553075     -1.9848646361     -0.6385960864
 C      3.5436198466     -1.1008476691      0.1708641977
 C      3.6147458478     -0.0908586177      0.8388105109
 C      3.1030766628      0.9852180175      1.4640228935
 C      2.3821497237      1.8706382283      1.9620441530
18
# ORCA AIMD Position Step 604, t=604.00 fs, E_Pot=-685.23668231 Hartree, Unit is Angstrom
 C      1.2631967997      2.4900441322      2.3681144667
 C      0.0771841021      2.7722712275      2.5714289665
 C     -1.1850122607      2.6799788337      2.2104996732
 C     -2.1492746619      2.4866343515      1.4747221360
 C     -3.0130074211      1.8853802542      0.6325541562
 C     -3.3550637137      1.0677488455     -0.1908458129
 C     -3.3277054758      0.0608784552     -1.0657228270
 C     -3.0653962018     -0.8957894972     -1.8039328191
 C     -2.3787613878     -1.9333022439     -2.3247599676
 C     -1.4045759348     -2.6803462833     -2.5336440794
 C     -0.1277176159     -2.9464007551     -2.3306026086
 C      1.0095806946     -2.9929103151     -1.8935873103
 C      2.1525460097     -2.6453802530     -1.2790119786
 C      2.9158588753     -1.9876774478     -0.6392185050
 C      3.5360440765     -1.1050133036      0.1711044304
 C      3.6071083614     -0.0912471496      0.8444036573
 C      3.1016361369      0.9851093737      1.4637060435
 C      2.3829676012      1.8644060351      1.9648309101
18
# ORCA AIMD Position Step 605, t=605.00 fs, E_Pot=-685.23800668 Hartree, Unit is Angstrom
 C      1.2653297181      2.4906502179      2.3734063090
 C      0.0826704587      2.7745950959      2.5803033894
 C     -1.1875431665      2.6738401216      2.2150065855
 C     -2.1431585916      2.4884823512      1.4741558329
 C     -3.0084574047      1.8829904852      0.6313779798
 C     -3.3547775457      1.0787879360     -0.1930238979
 C     -3.3274396660      0.0595801836     -1.0636468553
 C     -3.0601945247     -0.8960194470     -1.8018446376
 C     -2.3770953456     -1.9331272521     -2.3265401764
 C     -1.4143980590     -2.6767277223     -2.5405430215
 C     -0.1294196098     -2.9477260614     -2.3406690308
 C      1.0190371366     -2.9906495025     -1.9012773545
 C      2.1509629211     -2.6462640405     -1.2808813151
 C      2.9132311721     -1.9896921768     -0.6386173082
 C      3.5281828851     -1.1091375182      0.1711379608
 C      3.5993002636     -0.0916492488      0.8499143084
 C      3.0995075669      0.9863667009      1.4642775119
 C      2.3846081557      1.8570105323      1.9671552523
18
# ORCA AIMD Position Step 606, t=606.00 fs, E_Pot=-685.23881461 Hartree, Unit is Angstrom
 C      1.2668314422      2.4913362487      2.3789881589
 C      0.0901300015      2.7765951643      2.5889458292
 C     -1.1912886076      2.6680444233      2.2188130943
 C     -2.1372808732      2.4902216162      1.4741547029
 C     -3.0031211736      1.8814355576      0.6311447185
 C     -3.3548790660      1.0890692134     -0.1961131292
 C     -3.3271605460      0.0571071536     -1.0626086220
 C     -3.0553218642     -0.8954607964     -1.7989444140
 C     -2.3746898965     -1.9333280677     -2.3284600856
 C     -1.4256472199     -2.6719726478     -2.5472459352
 C     -0.1295290799     -2.9497108882     -2.3502894757
 C      1.0272388216     -2.9885245925     -1.9097051008
 C      2.1483374934     -2.6479149356     -1.2836610685
 C      2.9123316045     -1.9909775625     -0.6368470402
 C      3.5201386942     -1.1127228579      0.1713285815
 C      3.5913852854     -0.0925787420      0.8549793433
 C      3.0969046749      0.9887266141      1.4656221295
 C      2.3867030475      1.8489012142      1.9692412422
18
# ORCA AIMD Position Step 607, t=607.00 fs, E_Pot=-685.23859937 Hartree, Unit is Angstrom
 C      1.2680313109      2.4919760820      2.3847808857
 C      0.0988908538      2.7782752341      2.5972685491
 C     -1.1954979321      2.6627278735      2.2222634909
 C     -2.1319391796      2.4917650381      1.4745201711
 C     -2.9969491561      1.8809092757      0.6319994533
 C     -3.3554375318      1.0982303830     -0.2003899726
 C     -3.3268721901      0.0536798630     -1.0624663653
 C     -3.0508221634     -0.8941229259     -1.7952585415
 C     -2.3722077867     -1.9334179100     -2.3303797889
 C     -1.4371592599     -2.6667106700     -2.5538194329
 C     -0.1278956093     -2.9522709473     -2.3593285359
 C      1.0332899999     -2.9866128103     -1.9192138328
 C      2.1451567490     -2.6500790912     -1.2870543583
 C      2.9128528147     -1.9918444229     -0.6342016837
 C      3.5120357900     -1.1152999718      0.1720373366
 C      3.5834096823     -0.0944213754      0.8593214476
 C      3.0941568907      0.9917609837      1.4675228815
 C      2.3887710202      1.8406469191      1.9713908186
18
# ORCA AIMD Position Step 608, t=608.00 fs, E_Pot=-685.23741517 Hartree, Unit is Angstrom
 C      1.2693762837      2.4924177059      2.3906907380
 C      0.1081378379      2.7796660190      2.6052052853
 C     -1.1993743257      2.6580306156      2.2257468493
 C     -2.1274040528      2.4930515580      1.4750629085
 C     -2.9900193257      1.8813735864      0.6338398821
 C     -3.3564354991      1.1061343175     -0.2059131505
 C     -3.3266182287      0.0496425111     -1.0629859472
 C     -3.0466825706     -0.8921717846     -1.7909251466
 C     -2.3703761415     -1.9328394771     -2.3321260895
 C     -1.4476981948     -2.6616291489     -2.5603615279
 C     -0.1246785471     -2.9553038228     -2.3677692482
 C      1.0366237350     -2.9849818537     -1.9300269134
 C      2.1420242635     -2.6523952282     -1.2906525136
 C      2.9143111417     -1.9927588020     -0.6311327083
 C      3.5039980576     -1.1165111937      0.1735600625
 C      3.5754000430     -0.0973773148      0.8627888468
 C      3.0916653009      0.9949354122      1.4696945327
 C      2.3902888999      1.8328621323      1.9739439581
18
# ORCA AIMD Position Step 609, t=609.00 fs, E_Pot=-685.23596213 Hartree, Unit is Angstrom
 C      1.2713476032      2.4925091648      2.3966271362
 C      0.1170298578      2.7808160673      2.6127151829
 C     -1.2021907122      2.6540782444      2.2296292282
 C     -2.1238669806      2.4940559607      1.4756471573
 C     -2.9825302406      1.8825782890      0.6363313327
 C     -3.3577694641      1.1128578299     -0.2125255041
 C     -3.3264772992      0.0454406194     -1.0638562355
 C     -3.0428429801     -0.8899027144     -1.7861771210
 C     -2.3698436169     -1.9310795689     -2.3335321988
 C     -1.4561479508     -2.6573591548     -2.5669784097
 C     -0.1203048615     -2.9587005356     -2.3757065942
 C      1.0370740933     -2.9836719036     -1.9422088986
 C      2.1394997960     -2.6544965071     -1.2940539626
 C      2.9161701489     -1.9942253693     -0.6281356539
 C      3.4961282624     -1.1161785714      0.1760725620
 C      3.5673647795     -0.1014301689      0.8653758986
 C      3.0898390388      0.9976931062      1.4718327758
 C      2.3907743487      1.8261183944      1.9772274701
18
# ORCA AIMD Position Step 610, t=610.00 fs, E_Pot=-685.23511090 Hartree, Unit is Angstrom
 C      1.2743503045      2.4921307630      2.4025219305
 C      0.1248164629      2.7817785718      2.6197749688
 C     -1.2033868428      2.6509656429      2.2341867021
 C     -2.1213849285      2.4948009278      1.4762401996
 C     -2.9747779592      1.8841148765      0.6389619019
 C     -3.3592702813      1.1186324152     -0.2199078814
 C     -3.3265562925      0.0415892411     -1.0647146649
 C     -3.0392264528     -0.8876787062     -1.7813014619
 C     -2.3710089421     -1.9278197586     -2.3344879284
 C     -1.4616951348     -2.6543493655     -2.5737482852
 C     -0.1154227418     -2.9623528666     -2.3833288128
 C      1.0348964703     -2.9826887616     -1.9556477834
 C      2.1379808105     -2.6560863576     -1.2969540168
 C      2.9179526240     -1.9966769981     -0.6256450029
 C      3.4884854585     -1.1143568454      0.1795839503
 C      3.5593083942     -0.1063535634      0.8672181650
 C      3.0890097726      0.9995680865      1.4736822873
 C      2.3898875222      1.8208430886      1.9814901966
18
# ORCA AIMD Position Step 611, t=611.00 fs, E_Pot=-685.23520413 Hartree, Unit is Angstrom
 C      1.2786058041      2.4912282484      2.4083470958
 C      0.1309409063      2.7825910265      2.6263632070
 C     -1.2026356366      2.6487488135      2.2395524892
 C     -2.1198555351      2.4953527415      1.4769346507
 C     -2.9671095005      1.8855073881      0.6411422190
 C     -3.3607360873      1.1237624980     -0.2276527866
 C     -3.3269742058      0.0386138523     -1.0651935035
 C     -3.0357678632     -0.8858592140     -1.7765921191
 C     -2.3738901653     -1.9230558323     -2.3349845201
 C     -1.4639713943     -2.6527593648     -2.5806791801
 C     -0.1108458264     -2.9661587732     -2.3908901895
 C      1.0307518496     -2.9820018527     -1.9700477035
 C      2.1376227683     -2.6569919633     -1.2992112772
 C      2.9193187630     -2.0003919767     -0.6239560554
 C      3.4810787399     -1.1113589775      0.1839099796
 C      3.5512438936     -0.1117294326      0.8685787573
 C      3.0893516726      1.0002888746      1.4751007914
 C      2.3875215659      1.8172279679      1.9868383022
18
# ORCA AIMD Position Step 612, t=612.00 fs, E_Pot=-685.23579977 Hartree, Unit is Angstrom
 C      1.2840697691      2.4898393824      2.4141279032
 C      0.1351189505      2.7832601508      2.6324488619
 C     -1.1998711242      2.6474395431      2.2456922300
 C     -2.1190264402      2.4958075119      1.4779413174
 C     -2.9598639487      1.8863065913      0.6423137290
 C     -3.3619694114      1.1285491649     -0.2353437716
 C     -3.3278382780      0.0369729122     -1.0649785477
 C     -3.0324438664     -0.8847163016     -1.7722888692
 C     -2.3780847907     -1.9171407732     -2.3351380340
 C     -1.4631018177     -2.6524256821     -2.5876915732
 C     -0.1074670148     -2.9700268392     -2.3986792886
 C      1.0256158640     -2.9815512212     -1.9849580626
 C      2.1383219896     -2.6571863175     -1.3008703237
 C      2.9201099309     -2.0054463674     -0.6231785750
 C      3.4738683440     -1.1077421163      0.1886786462
 C      3.5432019725     -0.1169952459      0.8698171496
 C      3.0908300576      0.9998438587      1.4761008578
 C      2.3838555163      1.8151766109      1.9931979369
18
# ORCA AIMD Position Step 613, t=613.00 fs, E_Pot=-685.23616971 Hartree, Unit is Angstrom
 C      1.2904122949      2.4881001637      2.4199500512
 C      0.1373702271      2.7837565844      2.6379925338
 C     -1.1952702820      2.6470053789      2.2524200199
 C     -2.1185439942      2.4962674172      1.4795450787
 C     -2.9533067350      1.8861739557      0.6420504715
 C     -3.3628102100      1.1332350562     -0.2426280110
 C     -3.3292195606      0.0369757918     -1.0638681235
 C     -3.0292918715     -0.8843610560     -1.7685210941
 C     -2.3828547002     -1.9107194323     -2.3351746191
 C     -1.4596350505     -2.6529166963     -2.5946345295
 C     -0.1061230614     -2.9738835108     -2.4069740321
 C      1.0206042939     -2.9812597756     -1.9998558772
 C      2.1397487815     -2.6567824551     -1.3021498275
 C      2.9203559728     -2.0117121149     -0.6232291329
 C      3.4667724668     -1.1042338790      0.1933837183
 C      3.5352296417     -0.1215300693      0.8713369397
 C      3.0932066470      0.9984778239      1.4768515931
 C      2.3793388808      1.8143223012      2.0003245456
18
# ORCA AIMD Position Step 614, t=614.00 fs, E_Pot=-685.23602556 Hartree, Unit is Angstrom
 C      1.2970750548      2.4862268954      2.4259516965
 C      0.1379822364      2.7840219660      2.6429568942
 C     -1.1891950110      2.6473783560      2.2594440069
 C     -2.1180303588      2.4968106437      1.4820386835
 C     -2.9475744613      1.8849408436      0.6401340589
 C     -3.3631579393      1.1379734971     -0.2492669673
 C     -3.3311360864      0.0387273641     -1.0618143841
 C     -3.0264132769     -0.8847105248     -1.7652750431
 C     -2.3873003061     -1.9045799713     -2.3353812852
 C     -1.4543838247     -2.6536555544     -2.6013281728
 C     -0.1074247079     -2.9776808636     -2.4159882224
 C      1.0167437146     -2.9810469932     -2.0142530435
 C      2.1414172887     -2.6560048605     -1.3034013712
 C      2.9202463500     -2.0188976752     -0.6238625198
 C      3.4596849456     -1.1015982663      0.1974844389
 C      3.5273820992     -0.1247739843      0.8735099122
 C      3.0961008884      0.9966206894      1.4776362933
 C      2.3746054280      1.8141159032      2.0078607678
18
# ORCA AIMD Position Step 615, t=615.00 fs, E_Pot=-685.23571224 Hartree, Unit is Angstrom
 C      1.3033833573      2.4844753674      2.4322987484
 C      0.1374258336      2.7839848360      2.6473172878
 C     -1.1821174763      2.6484689372      2.2664247080
 C     -2.1171607792      2.4974664084      1.4856533334
 C     -2.9426490099      1.8826340277      0.6365878086
 C     -3.3629808166      1.1428191774     -0.2551550301
 C     -3.3335486440      0.0421154393     -1.0589297415
 C     -3.0239559324     -0.8855101697     -1.7624049093
 C     -2.3905516984     -1.8994858028     -2.3360440157
 C     -1.4482485787     -2.6540517277     -2.6076070208
 C     -0.1115947298     -2.9813991049     -2.4258167988
 C      1.0147500458     -2.9808417958     -2.0277911282
 C      2.1427737902     -2.6551434189     -1.3050473757
 C      2.9200720006     -2.0266175691     -0.6247339237
 C      3.4525017710     -1.1004726201      0.2005262595
 C      3.5197142276     -0.1263582159      0.8765878126
 C      3.0990804136      0.9947826708      1.4787877469
 C      2.3703456424      1.8139546368      2.0154174111
18
# ORCA AIMD Position Step 616, t=616.00 fs, E_Pot=-685.23577128 Hartree, Unit is Angstrom
 C      1.3086807255      2.4830914965      2.4391489541
 C      0.1362523503      2.7835790544      2.6510717101
 C     -1.1745553450      2.6501793331      2.2730214538
 C     -2.1157176441      2.4982013476      1.4905107853
 C     -2.9383603651      1.8794708630      0.6316746582
 C     -3.3623134001      1.1477348776     -0.2603107355
 C     -3.3363688177      0.0468394699     -1.0554647937
 C     -3.0220811019     -0.8864054306     -1.7596810094
 C     -2.3919219262     -1.8960347911     -2.3373884327
 C     -1.4420795544     -2.6536010051     -2.6133505090
 C     -0.1183690292     -2.9850454623     -2.4364012844
 C      1.0148857395     -2.9805906950     -2.0402937642
 C      2.1432892985     -2.6544951493     -1.3075064747
 C      2.9201473816     -2.0344748651     -0.6254806050
 C      3.4451482570     -1.1012233604      0.2022464261
 C      3.5122766823     -0.1262084756      0.8806280075
 C      3.1017455395      0.9934506078      1.4806227346
 C      2.3671760745      1.8133081809      2.0226503124
18
# ORCA AIMD Position Step 617, t=617.00 fs, E_Pot=-685.23640676 Hartree, Unit is Angstrom
 C      1.3124519205      2.4822620504      2.4466159942
 C      0.1350041489      2.7827597016      2.6542462108
 C     -1.1670231266      2.6524130972      2.2789271201
 C     -2.1136117966      2.4989222337      1.4966032739
 C     -2.9344177023      1.8758252772      0.6258589852
 C     -3.3612458330      1.1526132786     -0.2648496347
 C     -3.3394749004      0.0524629449     -1.0517674872
 C     -3.0209223828     -0.8870358780     -1.7568562728
 C     -2.3910064658     -1.8945626617     -2.3395322560
 C     -1.4365855073     -2.6519451645     -2.6184971383
 C     -0.1270086836     -2.9886482014     -2.4475314421
 C      1.0169388495     -2.9802646348     -2.0517705656
 C      2.1425486869     -2.6543033126     -1.3111171141
 C      2.9207262069     -2.0421412738     -0.6258067302
 C      3.4375975726     -1.1038650397      0.2026336372
 C      3.5051141255     -0.1245849470      0.8854601055
 C      3.1037934142      0.9930074158      1.4833889475
 C      2.3655290641      1.8118183961      2.0293204311
18
# ORCA AIMD Position Step 618, t=618.00 fs, E_Pot=-685.23733071 Hartree, Unit is Angstrom
 C      1.3144144755      2.4820761875      2.4547444943
 C      0.1341450514      2.7815125076      2.6568961945
 C     -1.1599929448      2.6550823242      2.2838936151
 C     -2.1108742361      2.4994927079      1.5038018382
 C     -2.9304607356      1.8721675669      0.6197340800
 C     -3.3599052754      1.1573122103     -0.2689426592
 C     -3.3427311405      0.0584771694     -1.0482333003
 C     -3.0205497005     -0.8871217125     -1.7537287765
 C     -2.3877307257     -1.8950935650     -2.3424607827
 C     -1.4322766483     -2.6489014699     -2.6230482358
 C     -0.1364283365     -2.9922515982     -2.4588918753
 C      1.0203187803     -2.9798593270     -2.0623782659
 C      2.1403268834     -2.6547027678     -1.3160688480
 C      2.9219269382     -2.0494251842     -0.6255573258
 C      3.4298748022     -1.1080679115      0.2019250624
 C      3.4982627914     -0.1220386413      0.8907123700
 C      3.1050573586      0.9936763737      1.4872276728
 C      2.3655799071      1.8093607642      2.0353331474
18
# ORCA AIMD Position Step 619, t=619.00 fs, E_Pot=-685.23799429 Hartree, Unit is Angstrom
 C      1.3145592842      2.4825086149      2.4635028770
 C      0.1340052912      2.7798604969      2.6591031017
 C     -1.1538537193      2.6581120736      2.2877541427
 C     -2.1076319541      2.4997594827      1.5118847590
 C     -2.9261198539      1.8689825385      0.6139236765
 C     -3.3584311618      1.1617035824     -0.2727660915
 C     -3.3460055722      0.0643626226     -1.0452567634
 C     -3.0209539489     -0.8865134049     -1.7501805833
 C     -2.3823512771     -1.8973404966     -2.3460220942
 C     -1.4294180488     -2.6444749824     -2.6270714301
 C     -0.1454019845     -2.9959077894     -2.4701297810
 C      1.0242229553     -2.9793951789     -2.0723660180
 C      2.1366302480     -2.6556891931     -1.3223620712
 C      2.9236887606     -2.0563107726     -0.6247627122
 C      3.4220456319     -1.1132442910      0.2005469295
 C      3.4917466225     -0.1192919509      0.8958915424
 C      3.1055239328      0.9954867022      1.4921530943
 C      2.3672286509      1.8060574792      2.0407527306
18
# ORCA AIMD Position Step 620, t=620.00 fs, E_Pot=-685.23796128 Hartree, Unit is Angstrom
 C      1.3131466641      2.4834296053      2.4727952941
 C      0.1347531682      2.7778517283      2.6609667675
 C     -1.1488890666      2.6614527946      2.2904277171
 C     -2.1040722031      2.4995682532      1.5205760244
 C     -2.9210780252      1.8666960421      0.6089805071
 C     -3.3569386043      1.1657156348     -0.2764421575
 C     -3.3491913795      0.0696557912     -1.0431879093
 C     -3.0220424590     -0.8852197445     -1.7461960565
 C     -2.3754143971     -1.9007516485     -2.3499547411
 C     -1.4280051692     -2.6388448713     -2.6306810999
 C     -0.1527794417     -2.9996710707     -2.4809304715
 C      1.0278034215     -2.9789094163     -2.0820174383
 C      2.1316985486     -2.6571247645     -1.3298107138
 C      2.9257714962     -2.0629502458     -0.6236327502
 C      3.4142028905     -1.1186963087      0.1990087065
 C      3.4855715579     -0.1170870521      0.9004882377
 C      3.1053333763      0.9982736110      1.4980548412
 C      2.3701171200      1.8022560587      2.0457925539
18
# ORCA AIMD Position Step 621, t=621.00 fs, E_Pot=-685.23715501 Hartree, Unit is Angstrom
 C      1.3106505264      2.4846324616      2.4824828702
 C      0.1363704767      2.7755649996      2.6625960272
 C     -1.1452444473      2.6650777163      2.2919297306
 C     -2.1004251879      2.4987851565      1.5295724512
 C     -2.9151119766      1.8656040532      0.6053025588
 C     -3.3554966030      1.1693720307     -0.2799967635
 C     -3.3522110920      0.0739835433     -1.0423026324
 C     -3.0236650685     -0.8833786711     -1.7418518143
 C     -2.3676902048     -1.9045830508     -2.3539123616
 C     -1.4277522484     -2.6323557347     -2.6340412225
 C     -0.1576493610     -3.0035835887     -2.4910565533
 C      1.0303087774     -2.9784523789     -2.0916063886
 C      2.1259487194     -2.6587698050     -1.3380811718
 C      2.9278016362     -2.0696225112     -0.6225166636
 C      3.4064418580     -1.1237408275      0.1978142384
 C      3.4797242046     -0.1160536978      0.9040657016
 C      3.1047521664      1.0016940144      1.5047102000
 C      2.3737162056      1.7984575182      2.0507760870
18
# ORCA AIMD Position Step 622, t=622.00 fs, E_Pot=-685.23596488 Hartree, Unit is Angstrom
 C      1.3076845923      2.4858716926      2.4924092905
 C      0.1386593188      2.7730999726      2.6640981499
 C     -1.1429185854      2.6689860697      2.2923669515
 C     -2.0969450961      2.4973035862      1.5385662425
 C     -2.9081200223      1.8658384282      0.6030840513
 C     -3.3541088130      1.1727955317     -0.2833383523
 C     -3.3550235948      0.0771051672     -1.0427753810
 C     -3.0256378752     -0.8812287985     -1.7373000679
 C     -2.3600748435     -1.9079990841     -2.3575108620
 C     -1.4281276949     -2.6254768194     -2.6373446898
 C     -0.1594417417     -3.0076640234     -2.5003739537
 C      1.0311734694     -2.9780798782     -2.1013596483
 C      2.1198986356     -2.6603358758     -1.3467576512
 C      2.9293436621     -2.0766575233     -0.6218270460
 C      3.3988430156     -1.1278231128      0.1973769775
 C      3.4741714537     -0.1166218948      0.9063200655
 C      3.1041283842      1.0052800238      1.5118198532
 C      2.3774224076      1.7952291987      2.0560821229
18
# ORCA AIMD Position Step 623, t=623.00 fs, E_Pot=-685.23513318 Hartree, Unit is Angstrom
 C      1.3049164713      2.4869014799      2.5024236630
 C      0.1412704369      2.7705696435      2.6655685948
 C     -1.1417660816      2.6732005834      2.2919270963
 C     -2.0938977066      2.4950474536      1.5472583724
 C     -2.9001278050      1.8673638655      0.6023095529
 C     -3.3527113382      1.1761813871     -0.2862720048
 C     -3.3576257706      0.0789449331     -1.0446576201
 C     -3.0277669754     -0.8790766448     -1.7327493094
 C     -2.3534700790     -1.9101845388     -2.3603771153
 C     -1.4284403649     -2.6187390676     -2.6407889772
 C     -0.1579738579     -3.0118995281     -2.5088570419
 C      1.0300840700     -2.9778453240     -2.1114239819
 C      2.1140748918     -2.6615416552     -1.3554168564
 C      2.9299801267     -2.0843514615     -0.6219541108
 C      3.3914564898     -1.1305982534      0.1979578522
 C      3.4688647703     -0.1189781801      0.9071102291
 C      3.1038271799      1.0085160092      1.5190569416
 C      2.3806682396      1.7931037426      2.0620762713
18
# ORCA AIMD Position Step 624, t=624.00 fs, E_Pot=-685.23538105 Hartree, Unit is Angstrom
 C      1.3029765266      2.4875103030      2.5123958044
 C      0.1437622405      2.7680907415      2.6670821828
 C     -1.1415215540      2.6777588706      2.2908580156
 C     -2.0915466237      2.4919741378      1.5553693280
 C     -2.8912776209      1.8700031810      0.6027840139
 C     -3.3511861507      1.1797466894     -0.2885411160
 C     -3.3600495755      0.0796100921     -1.0478647476
 C     -3.0298650549     -0.8772671152     -1.7284468789
 C     -2.3486392144     -1.9104674171     -2.3621994284
 C     -1.4279859209     -2.6126436331     -2.6445413139
 C     -0.1534586219     -3.0162430853     -2.5165823858
 C      1.0270358770     -2.9777904134     -2.1218309133
 C      2.1089269261     -2.6621607221     -1.3636962180
 C      2.9293804914     -2.0928889334     -0.6231870196
 C      3.3842937676     -1.1319864273      0.1996214567
 C      3.4637488390     -0.1230524189      0.9064672927
 C      3.1041547741      1.0109311019      1.5261239367
 C      2.3830267755      1.7924780933      2.0690380927
18
# ORCA AIMD Position Step 625, t=625.00 fs, E_Pot=-685.23687821 Hartree, Unit is Angstrom
 C      1.3023627590      2.4875511498      2.5222255537
 C      0.1456908299      2.7657707204      2.6686874870
 C     -1.1418475458      2.6827010813      2.2894371902
 C     -2.0901273018      2.4880799717      1.5626561974
 C     -2.8818069060      1.8734769973      0.6041854810
 C     -3.3493856381      1.1836725934     -0.2898857803
 C     -3.3623546823      0.0793878106     -1.0521787679
 C     -3.0317654759     -0.8761516658     -1.7246573330
 C     -2.3460537834     -1.9084437436     -2.3627801926
 C     -1.4262273774     -2.6075492497     -2.6486978028
 C     -0.1464925362     -3.0206179208     -2.5237206878
 C      1.0223804632     -2.9779380968     -2.1324657883
 C      2.1047583279     -2.6620578597     -1.3713460349
 C      2.9273536832     -2.1022866986     -0.6256561062
 C      3.3773266379     -1.1321983141      0.2022138211
 C      3.4587722438     -0.1285255672      0.9045916457
 C      3.1052832034      1.0121925239      1.5328095683
 C      2.3842981090      1.7935248826      2.0770932005
18
# ORCA AIMD Position Step 626, t=626.00 fs, E_Pot=-685.23893508 Hartree, Unit is Angstrom
 C      1.3033483486      2.4869672903      2.5318555317
 C      0.1467148167      2.7636910023      2.6704045141
 C     -1.1423986305      2.6880565758      2.2879310283
 C     -2.0898074699      2.4834067979      1.5689444381
 C     -2.8720154318      1.8774523139      0.6061244823
 C     -3.3471616167      1.1880563979     -0.2901026881
 C     -3.3646168031      0.0787089499     -1.0572724030
 C     -3.0333386018     -0.8760418866     -1.7216283774
 C     -2.3457719913     -1.9040728844     -2.3620814700
 C     -1.4229508857     -2.6035754746     -2.6532498193
 C     -0.1380123800     -3.0249307602     -2.5305285304
 C      1.0168341608     -2.9782842968     -2.1430626984
 C      2.1016810975     -2.6612112825     -1.3782689781
 C      2.9238788195     -2.1123766991     -0.6293027389
 C      3.3704897622     -1.1317215392      0.2053724241
 C      3.4538938051     -0.1348620887      0.9018345286
 C      3.1072027134      1.0121708204      1.5390307421
 C      2.3845581335      1.7961414075      2.0861768702
18
# ORCA AIMD Position Step 627, t=627.00 fs, E_Pot=-685.24034832 Hartree, Unit is Angstrom
 C      1.3059220077      2.4858041197      2.5412838398
 C      0.1466860216      2.7618919274      2.6722291122
 C     -1.1428936497      2.6938351201      2.2865507681
 C     -2.0906452353      2.4780452236      1.5741660820
 C     -2.8622208765      1.8815934499      0.6082046508
 C     -3.3443918368      1.1928886554     -0.2890913583
 C     -3.3669115273      0.0780745229     -1.0627658111
 C     -3.0345133126     -0.8771495108     -1.7195434705
 C     -2.3474113877     -1.8976939043     -2.3602379797
 C     -1.4183263804     -2.6005660775     -2.6580807534
 C     -0.1291907079     -3.0290919617     -2.5373311685
 C      1.0114075532     -2.9787990894     -2.1532409839
 C      2.0996016631     -2.6597174068     -1.3845387414
 C      2.9191083782     -2.1228318404     -0.6338851361
 C      3.3636869386     -1.1312510425      0.2085811308
 C      3.4490837460     -0.1413807776      0.8986545166
 C      3.1097225837      1.0109528123      1.5448443518
 C      2.3841477215      1.7999616966      2.0960476578
18
# ORCA AIMD Position Step 628, t=628.00 fs, E_Pot=-685.24030100 Hartree, Unit is Angstrom
 C      1.3097915562      2.4842024472      2.5505682972
 C      0.1456702343      2.7603645205      2.6741376927
 C     -1.1431609741      2.7000240342      2.2854192715
 C     -2.0925615388      2.4721278242      1.5783826181
 C     -2.8527172740      1.8856132559      0.6100794364
 C     -3.3409972944      1.1980395063     -0.2868808942
 C     -3.3692962103      0.0779696208     -1.0682917210
 C     -3.0352969517     -0.8795254155     -1.7184745433
 C     -2.3502448007     -1.8899459914     -2.3575360224
 C     -1.4128353526     -2.5981445259     -2.6629906708
 C     -0.1212690269     -3.0330290238     -2.5444867563
 C      1.0072433052     -2.9794326332     -2.1625731593
 C      2.0982423928     -2.6577788432     -1.3903932572
 C      2.9133507261     -2.1332096597     -0.6390035044
 C      3.3568024295     -1.1315717368      0.2112588523
 C      3.4443167959     -0.1473612556      0.8955455464
 C      3.1125288352      1.0087861852      1.5504159058
 C      2.3835980889      1.8044363256      2.1063450258
18
# ORCA AIMD Position Step 629, t=629.00 fs, E_Pot=-685.23900744 Hartree, Unit is Angstrom
 C      1.3144453463      2.4823713349      2.5598107007
 C      0.1439410690      2.7590619701      2.6761022372
 C     -1.1431705513      2.7065838825      2.2845638663
 C     -2.0953476701      2.4658304989      1.5817816966
 C     -2.8437525334      1.8892829083      0.6114696647
 C     -3.3369512008      1.2032965819     -0.2836141929
 C     -3.3717919473      0.0787790425     -1.0735535328
 C     -3.0357837219     -0.8830362091     -1.7183679400
 C     -2.3533586285     -1.8816356188     -2.3543521597
 C     -1.4071402061     -2.5958128265     -2.6677450791
 C     -0.1153375705     -3.0366922670     -2.5523202017
 C      1.0053831188     -2.9801314117     -2.1706803615
 C      2.0972152377     -2.6556618417     -1.3961746307
 C      2.9070063944     -2.1430339780     -0.6441781363
 C      3.3497231411     -1.1334043118      0.2128744560
 C      3.4395739807     -0.1521719122      0.8929505639
 C      3.1152527772      1.0060092054      1.5559712385
 C      2.3835293846      1.8089346390      2.1166652273
18
# ORCA AIMD Position Step 630, t=630.00 fs, E_Pot=-685.23750253 Hartree, Unit is Angstrom
 C      1.3192757972      2.4805431694      2.5691303660
 C      0.1418839080      2.7579123354      2.6780941090
 C     -1.1430122487      2.7134521372      2.2839257641
 C     -2.0986862540      2.4593547513      1.5846486242
 C     -2.8355092035      1.8924645864      0.6122012757
 C     -3.3322834784      1.2083640821     -0.2795481527
 C     -3.3743733702      0.0807342335     -1.0783618491
 C     -3.0361511309     -0.8873493301     -1.7190320233
 C     -2.3558433433     -1.8735860369     -2.3510929528
 C     -1.4019116464     -2.5930774581     -2.6721221563
 C     -0.1121009403     -3.0400458691     -2.5610470041
 C      1.0065028236     -2.9808588718     -2.1773290197
 C      2.0960969215     -2.6536597229     -1.4022727343
 C      2.9005224797     -2.1518394996     -0.6488977816
 C      3.3423584769     -1.1372456096      0.2130590527
 C      3.4348287220     -0.1554048746      0.8911645644
 C      3.1175523494      1.0029548503      1.5617338448
 C      2.3845259155      1.8128643227      2.1266368905
18
# ORCA AIMD Position Step 631, t=631.00 fs, E_Pot=-685.23676421 Hartree, Unit is Angstrom
 C      1.3237041660      2.4789264318      2.5786306234
 C      0.1399082513      2.7568371660      2.6800883342
 C     -1.1428522040      2.7205474723      2.2833930878
 C     -2.1022033044      2.4529133480      1.5873146063
 C     -2.8280999501      1.8951130105      0.6122122050
 C     -3.3270791121      1.2128845677     -0.2750319927
 C     -3.3769673847      0.0838993805     -1.0826376764
 C     -3.0366350110     -0.8919747178     -1.7201670181
 C     -2.3569412494     -1.8665150449     -2.3481344774
 C     -1.3976998033     -2.5895425287     -2.6759448061
 C     -0.1117143613     -3.0430549997     -2.5707079889
 C      1.0107112335     -2.9816098878     -2.1825065109
 C      2.0945229119     -2.6520416682     -1.4090387226
 C      2.8943234967     -2.1592295029     -0.6526955030
 C      3.3346595103     -1.1432500192      0.2116879712
 C      3.4300430130     -0.1569644630      0.8902716688
 C      3.1191699412      0.9998792698      1.5678729295
 C      2.3870328266      1.8157646312      2.1359774726
18
# ORCA AIMD Position Step 632, t=632.00 fs, E_Pot=-685.23700964 Hartree, Unit is Angstrom
 C      1.3272630642      2.4776758762      2.5883715975
 C      0.1383826382      2.7557676052      2.6820640064
 C     -1.1428797651      2.7277709478      2.2828367456
 C     -2.1055097681      2.4467261101      1.5901194203
 C     -2.8215887855      1.8972487685      0.6115226266
 C     -3.3214695332      1.2164877585     -0.2704609616
 C     -3.3794647599      0.0881937659     -1.0863857834
 C     -3.0374930746     -0.8963430105     -1.7214275441
 C     -2.3561033946     -1.8609754462     -2.3457829576
 C     -1.3948828314     -2.5849461409     -2.6790953033
 C     -0.1137834081     -3.0456760589     -2.5811529064
 C      1.0175055864     -2.9824282274     -2.1864418536
 C      2.0923015672     -2.6509912870     -1.4166758411
 C      2.8887201634     -2.1649353789     -0.6552417614
 C      3.3266346107     -1.1512016405      0.2088988286
 C      3.4251738690     -0.1570823544      0.8901364667
 C      3.1199483153      0.9969442349      1.5744811960
 C      2.3913037644      1.8173474145      2.1445176566
18
# ORCA AIMD Position Step 633, t=633.00 fs, E_Pot=-685.23772082 Hartree, Unit is Angstrom
 C      1.3296906736      2.4768575648      2.5983483848
 C      0.1375654400      2.7546550152      2.6840025321
 C     -1.1432533146      2.7350205642      2.2821474698
 C     -2.1082638931      2.4409913433      1.5933488336
 C     -2.8159815914      1.8989571852      0.6102453748
 C     -3.3156197064      1.2188116177     -0.2662515582
 C     -3.3817349204      0.0934204594     -1.0896820039
 C     -3.0389551847     -0.8998943217     -1.7224715795
 C     -2.3530918491     -1.8572593330     -2.3442237300
 C     -1.3935877964     -2.5792129297     -2.6815300593
 C     -0.1174815929     -3.0478563577     -2.5920782717
 C      1.0258701953     -2.9834000560     -2.1895700486
 C      2.0894641977     -2.6505791049     -1.4251914737
 C      2.8838649494     -2.1688483017     -0.6563934873
 C      3.3183508622     -1.1605415533      0.2050695437
 C      3.4201689971     -0.1562621909      0.8904423923
 C      3.1198562359      0.9941736909      1.5815473451
 C      2.3973405469      1.8175457722      2.1522296288
18
# ORCA AIMD Position Step 634, t=634.00 fs, E_Pot=-685.23811912 Hartree, Unit is Angstrom
 C      1.3309555182      2.4764419663      2.6084960884
 C      0.1375766206      2.7534741517      2.6858858447
 C     -1.1440579240      2.7422053691      2.2812620078
 C     -2.1102147080      2.4358663012      1.5971995105
 C     -2.8112405564      1.9003610914      0.6085497892
 C     -3.3097005318      1.2195551372     -0.2627813561
 C     -3.3836465613      0.0993096901     -1.0926454759
 C     -3.0411786561     -0.9021747080     -1.7230254123
 C     -2.3480007432     -1.8553608624     -2.3434932425
 C     -1.3936753066     -2.5724563971     -2.6832815694
 C     -0.1217910053     -3.0495400459     -2.6031092286
 C      1.0345113038     -2.9846397375     -2.1924515899
 C      2.0862827196     -2.6507474572     -1.4343756813
 C      2.8797194698     -2.1710405241     -0.6562303927
 C      3.3099193168     -1.1704884327      0.2007361747
 C      3.4149733669     -0.1551587063      0.8907752097
 C      3.1189811262      0.9914556751      1.5889609683
 C      2.4049026841      1.8165103179      2.1592297278
18
# ORCA AIMD Position Step 635, t=635.00 fs, E_Pot=-685.23768459 Hartree, Unit is Angstrom
 C      1.3312370795      2.4763170727      2.6187077286
 C      0.1383947583      2.7522245815      2.6876965154
 C     -1.1452816758      2.7492601380      2.2801791131
 C     -2.1112316205      2.4314511353      1.6017576512
 C     -2.8073030326      1.9015870087      0.6066206807
 C     -3.3038569513      1.2185237935     -0.2603308954
 C     -3.3850854737      0.1055615180     -1.0954196079
 C     -3.0442202950     -0.9028972318     -1.7229226693
 C     -2.3412468244     -1.8549745081     -2.3434686316
 C     -1.3947474811     -2.5649657293     -2.6844597300
 C     -0.1257305832     -3.0506782712     -2.6138850330
 C      1.0421091371     -2.9862699738     -2.1956758975
 C      2.0832193665     -2.6513297761     -1.4438425412
 C      2.8760703380     -2.1717479925     -0.6550364748
 C      3.3014752296     -1.1801818467      0.1964951052
 C      3.4095328814     -0.1544413657      0.8907158383
 C      3.1175082040      0.9885580624      1.5965317478
 C      2.4135587602      1.8145682313      2.1657569806
18
# ORCA AIMD Position Step 636, t=636.00 fs, E_Pot=-685.23649642 Hartree, Unit is Angstrom
 C      1.3308690927      2.4763175666      2.6288560102
 C      0.1398791878      2.7509272350      2.6894181273
 C     -1.1468104619      2.7561519217      2.2789635056
 C     -2.1113111740      2.4277823118      1.6069968976
 C     -2.8041060912      1.9027327249      0.6046160839
 C     -3.2981822894      1.2156630440     -0.2590384062
 C     -3.3859659413      0.1118796164     -1.0981558996
 C     -3.0480352098     -0.9019613119     -1.7221167908
 C     -2.3335138539     -1.8555433317     -2.3438888553
 C     -1.3961934344     -2.5571716990     -2.6852396334
 C     -0.1285128370     -3.0512324842     -2.6241178669
 C      1.0475227180     -2.9884014724     -2.1997710024
 C      2.0808274955     -2.6520983192     -1.4531177169
 C      2.8725842061     -2.1713218567     -0.6532407212
 C      3.2931607372     -1.1888055027      0.1929197628
 C      3.4037974018     -0.1546850143      0.8899141009
 C      3.1156810454      0.9851652245      1.6040211405
 C      2.4227709358      1.8121550032      2.1721262698
18
# ORCA AIMD Position Step 637, t=637.00 fs, E_Pot=-685.23518829 Hartree, Unit is Angstrom
 C      1.3302640443      2.4762576641      2.6388168379
 C      0.1418068568      2.7496221885      2.6910348570
 C     -1.1484397538      2.7628835136      2.2777372439
 C     -2.1105687759      2.4248351524      1.6127869932
 C     -2.8016036650      1.9038423238      0.6026391305
 C     -3.2927023976      1.2110727617     -0.2588818628
 C     -3.3862398339      0.1179969511     -1.1010001345
 C     -3.0524926719     -0.8994389673     -1.7206710377
 C     -2.3256530177     -1.8563485867     -2.3443962507
 C     -1.3972767502     -2.5495898319     -2.6858441610
 C     -0.1296203826     -3.0511779331     -2.6336183005
 C      1.0499352599     -2.9911130118     -2.2051331890
 C      2.0796264013     -2.6528215180     -1.4617410146
 C      2.8688829668     -2.1701688433     -0.6513376801
 C      3.2851096722     -1.1956761775      0.1904982465
 C      3.3977255909     -0.1563023812      0.8881309331
 C      3.1137558175      0.9809386399      1.6111768974
 C      2.4319879082      1.8097236680      2.1786791515
18
# ORCA AIMD Position Step 638, t=638.00 fs, E_Pot=-685.23468120 Hartree, Unit is Angstrom
 C      1.3298408327      2.4759606550      2.6484805921
 C      0.1439180929      2.7483594505      2.6925304402
 C     -1.1498973500      2.7694821956      2.2766651050
 C     -2.1092139587      2.4225366749      1.6189117117
 C     -2.7997787089      1.9048975385      0.6007278476
 C     -3.2873784537      1.2049979018     -0.2596842231
 C     -3.3859007492      0.1236992498     -1.1040750779
 C     -3.0574002511     -0.8955439849     -1.7187380676
 C     -2.3185526339     -1.8566337322     -2.3446026875
 C     -1.3972541468     -2.5427434544     -2.6865103374
 C     -0.1288229715     -3.0505043128     -2.6422995349
 C      1.0489461343     -2.9944300692     -2.2119659898
 C      2.0799882345     -2.6533176771     -1.4693600277
 C      2.8646110824     -2.1686825352     -0.6498045796
 C      3.2774350779     -1.2003094757      0.1895839816
 C      3.3912927708     -0.1595099030      0.8852617097
 C      3.1119493162      0.9755834495      1.6177782531
 C      2.4407287315      1.8076648308      2.1857157496
18
# ORCA AIMD Position Step 639, t=639.00 fs, E_Pot=-685.23559625 Hartree, Unit is Angstrom
 C      1.3299644935      2.4752815565      2.6577525504
 C      0.1459704454      2.7471909971      2.6938898531
 C     -1.1508850431      2.7759843111      2.2759315389
 C     -2.1075199825      2.4207823173      1.6250911377
 C     -2.7986390214      1.9058244937      0.5988699749
 C     -3.2821241766      1.1978076883     -0.2611425665
 C     -3.3849860120      0.1288397743     -1.1074651964
 C     -3.0625270376     -0.8906038375     -1.7165402733
 C     -2.3129756553     -1.8557470394     -2.3441665061
 C     -1.3955318642     -2.5370635159     -2.6874403565
 C     -0.1261745670     -3.0492153975     -2.6501696957
 C      1.0446215616     -2.9983144524     -2.2202424112
 C      2.0820570852     -2.6534940131     -1.4757937508
 C      2.8594974352     -2.1671854426     -0.6490301302
 C      3.2702231721     -1.2024677064      0.1903572521
 C      3.3844966135     -0.1643037608      0.8813521493
 C      3.1103906027      0.9689214951      1.6236740791
 C      2.4486460605      1.8062289226      2.1934322175
18
# ORCA AIMD Position Step 640, t=640.00 fs, E_Pot=-685.23767554 Hartree, Unit is Angstrom
 C      1.3308994090      2.4741212676      2.6665500600
 C      0.1477811010      2.7461624550      2.6950999923
 C     -1.1511229575      2.7824185532      2.2757112195
 C     -2.1057835007      2.4194522375      1.6310124490
 C     -2.7981971709      1.9065190403      0.5970349502
 C     -3.2768338296      1.1899531364     -0.2628796881
 C     -3.3835771270      0.1333586352     -1.1111992130
 C     -3.0676195433     -0.8850408559     -1.7143542517
 C     -2.3094014815     -1.8532725992     -2.3428619305
 C     -1.3918198325     -2.5327848042     -2.6887493008
 C     -0.1220210476     -3.0473307807     -2.6573293659
 C      1.0375254328     -3.0026601210     -2.2296896064
 C      2.0857039762     -2.6533705281     -1.4810695865
 C      2.8534079773     -2.1658727785     -0.6492448433
 C      3.2635184415     -1.2022208730      0.1927759709
 C      3.3773649931     -0.1704354434      0.8766148866
 C      3.1090936061      0.9609435070      1.6288095194
 C      2.4555588000      1.8054784921      2.2018809180
18
# ORCA AIMD Position Step 641, t=641.00 fs, E_Pot=-685.23967762 Hartree, Unit is Angstrom
 C      1.3327592439      2.4724430256      2.6748145847
 C      0.1492810132      2.7453003360      2.6961571611
 C     -1.1504171238      2.7887929519      2.2761258490
 C     -2.1042618571      2.4184357037      1.6363877068
 C     -2.7984568086      1.9068709922      0.5951926628
 C     -3.2714010717      1.1819143445     -0.2644945671
 C     -3.3817927393      0.1372863567     -1.1152526073
 C     -3.0724333653     -0.8793243896     -1.7124784364
 C     -2.3078994433     -1.8491303882     -2.3406378146
 C     -1.3862494190     -2.5298595813     -2.6904261736
 C     -0.1169743797     -3.0448898803     -2.6639755212
 C      1.0286709496     -3.0073130705     -2.2398267040
 C      2.0905556549     -2.6530743522     -1.4854132670
 C      2.8463614698     -2.1647879626     -0.6504876404
 C      3.2573098268     -1.1999746017      0.1965543427
 C      3.3699573896     -0.1774216190      0.8714207055
 C      3.1079472376      0.9518371018      1.6332514897
 C      2.4614740672      1.8052651899      2.2109603230
18
# ORCA AIMD Position Step 642, t=642.00 fs, E_Pot=-685.24008982 Hartree, Unit is Angstrom
 C      1.3355174368      2.4702610253      2.6825174257
 C      0.1505226146      2.7446084256      2.6970681308
 C     -1.1486956843      2.7950900628      2.2772206273
 C     -2.1031326784      2.4176445106      1.6409887305
 C     -2.7993857274      1.9068053006      0.5933580307
 C     -3.2657408419      1.1741234930     -0.2656360398
 C     -3.3797751103      0.1407441488     -1.1195519038
 C     -3.0767504663     -0.8739319373     -1.7112104776
 C     -2.3081431017     -1.8435562458     -2.3376106989
 C     -1.3793406560     -2.5279679903     -2.6923387276
 C     -0.1118647263     -3.0419439902     -2.6703950002
 C      1.0194067947     -3.0120990861     -2.2500353672
 C      2.0960500067     -2.6528280767     -1.4892266497
 C      2.8385291719     -2.1638100774     -0.6525905031
 C      3.2515166695     -1.1964630291      0.2011691804
 C      3.3623535598     -0.1845582768      0.8662876586
 C      3.1067467147      0.9419347271      1.6371697131
 C      2.4665497077      1.8052743313      2.2204555177
18
# ORCA AIMD Position Step 643, t=643.00 fs, E_Pot=-685.23827794 Hartree, Unit is Angstrom
 C      1.3390255781      2.4676309135      2.6896616668
 C      0.1516763727      2.7440663449      2.6978522293
 C     -1.1460329484      2.8012629074      2.2789486090
 C     -2.1024580894      2.4170306305      1.6446807535
 C     -2.8009126918      1.9063002634      0.5916031733
 C     -3.2597990734      1.1669133516     -0.2660444116
 C     -3.3776685994      0.1439137408     -1.1239952753
 C     -3.0804012876     -0.8692916258     -1.7108149304
 C     -2.3095142776     -1.8370183219     -2.3340258164
 C     -1.3718910523     -2.5265918195     -2.6942690451
 C     -0.1076106252     -3.0385506069     -2.6769292340
 C      1.0112084976     -3.0168581425     -2.2596666387
 C      2.1015429758     -2.6529108547     -1.4930142922
 C      2.8301898267     -2.1626940885     -0.6552271578
 C      3.2460016831     -1.1926514675      0.2059320662
 C      3.3546417789     -0.1910017666      0.8618242968
 C      3.1052368687      0.9316510476      1.6408059423
 C      2.4710410426      1.8050908092      2.2300926046
18
# ORCA AIMD Position Step 644, t=644.00 fs, E_Pot=-685.23513587 Hartree, Unit is Angstrom
 C      1.3430630025      2.4646293972      2.6962726384
 C      0.1529945236      2.7436352753      2.6985390041
 C     -1.1426350506      2.8072364721      2.2811796023
 C     -2.1021810117      2.4165918256      1.6474274759
 C     -2.8029271814      1.9053982588      0.5900659551
 C     -3.2535602483      1.1604860190     -0.2655792009
 C     -3.3756006023      0.1469955016     -1.1284789960
 C     -3.0832755377     -0.8657347219     -1.7114953862
 C     -2.3112679770     -1.8300877046     -2.3301914450
 C     -1.3648030938     -2.5251325303     -2.6959676016
 C     -0.1050375218     -3.0347640008     -2.6839128356
 C      1.0054273303     -3.0214705577     -2.2681501888
 C      2.1064138042     -2.6536135901     -1.4972989260
 C      2.8216643053     -2.1611333919     -0.6579933991
 C      3.2405964860     -1.1895749460      0.2101072063
 C      3.3469060938     -0.1958965317      0.8586418583
 C      3.1031595553      0.9214112672      1.6444309366
 C      2.4752295930      1.8042818420      2.2395990298
18
# ORCA AIMD Position Step 645, t=645.00 fs, E_Pot=-685.23258226 Hartree, Unit is Angstrom
 C      1.3473879075      2.4613372433      2.7023876262
 C      0.1547641028      2.7432662066      2.6991640975
 C     -1.1388051080      2.8129120338      2.2837204667
 C     -2.1021459146      2.4163664410      1.6492725787
 C     -2.8052851874      1.9042075114      0.5889505259
 C     -3.2470464475      1.1549126535     -0.2642187021
 C     -3.3736657475      0.1501539731     -1.1329255407
 C     -3.0853246147     -0.8634593295     -1.7133747427
 C     -2.3126878106     -1.8233210076     -2.3264184891
 C     -1.3589340752     -2.5230182993     -2.6972019069
 C     -0.1046618263     -3.0306323800     -2.6915920565
 C      1.0030330961     -3.0258659144     -2.2750933847
 C      2.1101588146     -2.6551899715     -1.5025321446
 C      2.8132394807     -2.1588409222     -0.6605114752
 C      3.2351387710     -1.1881274209      0.2130579479
 C      3.3392131136     -0.1985449387      0.8572412862
 C      3.1002931005      0.9115977611      1.6483067302
 C      2.4793628718      1.8024647875      2.2487492868
18
# ORCA AIMD Position Step 646, t=646.00 fs, E_Pot=-685.23219177 Hartree, Unit is Angstrom
 C      1.3517832739      2.4578243972      2.7080364769
 C      0.1572519399      2.7429099222      2.6997619291
 C     -1.1348921119      2.8181700437      2.2863441345
 C     -2.1021338595      2.4164228064      1.6503117307
 C     -2.8078169583      1.9028928363      0.5885154454
 C     -3.2403214681      1.1501531936     -0.2620496062
 C     -3.3719170868      0.1534733724     -1.1372960322
 C     -3.0865568600     -0.8625105223     -1.7164816567
 C     -2.3131957401     -1.8171853967     -2.3229803851
 C     -1.3549850281     -2.5197873587     -2.6977889553
 C     -0.1065279858     -3.0262038120     -2.7000455699
 C      1.0044189199     -3.0300137345     -2.2803470552
 C      2.1124591247     -2.6578084145     -1.5090062063
 C      2.8051093056     -2.1556230733     -0.6625252350
 C      3.2295133968     -1.1888583954      0.2143837963
 C      3.3316078795     -0.1985826577      0.8578985617
 C      3.0964817281      0.9025260390      1.6526540673
 C      2.4836009660      1.7993649746      2.2573868989
18
# ORCA AIMD Position Step 647, t=647.00 fs, E_Pot=-685.23406774 Hartree, Unit is Angstrom
 C      1.3560842806      2.4541465587      2.7132232394
 C      0.1606489148      2.7425263816      2.7003566607
 C     -1.1312409057      2.8228722751      2.2888176980
 C     -2.1019011456      2.4168433897      1.6506664860
 C     -2.8103353052      1.9016585574      0.5890478942
 C     -3.2334964760      1.1460925549     -0.2592483847
 C     -3.3703667614      0.1569259134     -1.1415916010
 C     -3.0870314323     -0.8627754640     -1.7207382692
 C     -2.3124221925     -1.8120178046     -2.3200902312
 C     -1.3534182337     -2.5151526797     -2.6976173220
 C     -0.1101573780     -3.0215414967     -2.7091376690
 C      1.0093180847     -3.0339004113     -2.2840200949
 C      2.1132250930     -2.6615061830     -1.5167780890
 C      2.7973444300     -2.1514442931     -0.6639692022
 C      3.2236884836     -1.1918253649      0.2140157920
 C      3.3241219471     -0.1961087741      0.8605768338
 C      3.0916630404      0.8944389745      1.6576229787
 C      2.4879776169      1.7948629871      2.2654287646
18
# ORCA AIMD Position Step 648, t=648.00 fs, E_Pot=-685.23688434 Hartree, Unit is Angstrom
 C      1.3602017007      2.4503397876      2.7179285255
 C      0.1650261301      2.7420917860      2.7009556063
 C     -1.1281344571      2.8268810845      2.2909360623
 C     -2.1012177137      2.4177072219      1.6504666262
 C     -2.8126562585      1.9007158631      0.5908172119
 C     -3.2267131746      1.1425721889     -0.2560463040
 C     -3.3689871865      0.1603726764     -1.1458523300
 C     -3.0868529326     -0.8639944563     -1.7259644351
 C     -2.3102548072     -1.8079828665     -2.3178753911
 C     -1.3543739977     -2.5090507592     -2.6966660170
 C     -0.1146652392     -3.0167220202     -2.7185496940
 C      1.0168727845     -3.0375221946     -2.2864538017
 C      2.1126128118     -2.6661700042     -1.5256433511
 C      2.7898805395     -2.1464487361     -0.6649941981
 C      3.2177196214     -1.1965694970      0.2122368800
 C      3.3167736703     -0.1917035450      0.8649104618
 C      3.0858840565      0.8874779878      1.6632730025
 C      2.4923888898      1.7890255127      2.2728823208
18
# ORCA AIMD Position Step 649, t=649.00 fs, E_Pot=-685.23892804 Hartree, Unit is Angstrom
 C      1.3641356053      2.4464112928      2.7221277863
 C      0.1703227393      2.7416010995      2.7015476031
 C     -1.1257374875      2.8300874052      2.2925549959
 C     -2.0998993060      2.4190769508      1.6498355050
 C     -2.8146322491      1.9002377783      0.5940228736
 C     -3.2201050285      1.1394237561     -0.2526759674
 C     -3.3677157238      0.1635988903     -1.1501526917
 C     -3.0861587031     -0.8658015411     -1.7319110928
 C     -2.3068548238     -1.8050423733     -2.3163558196
 C     -1.3576171893     -2.5016545488     -2.6950130813
 C     -0.1190111699     -3.0118151095     -2.7278779973
 C      1.0258571949     -3.0408863485     -2.2881502875
 C      2.1109929277     -2.6715590148     -1.5351877581
 C      2.7825300530     -2.1409278141     -0.6659365977
 C      3.2117165623     -1.2022529173      0.2095967613
 C      3.3095611823     -0.1862906482      0.8702956357
 C      3.0792921012      0.8816443474      1.6695729921
 C      2.4966129513      1.7820975744      2.2798666259
18
# ORCA AIMD Position Step 650, t=650.00 fs, E_Pot=-685.23916809 Hartree, Unit is Angstrom
 C      1.3679610619      2.4423427551      2.7258040395
 C      0.1763622780      2.7410673559      2.7021034786
 C     -1.1240703302      2.8324258184      2.2936092991
 C     -2.0978244295      2.4209936347      1.6488777291
 C     -2.8161780197      1.9003177507      0.5987537001
 C     -3.2137660601      1.1365087351     -0.2493176949
 C     -3.3664668006      0.1663637676     -1.1545842200
 C     -3.0851003949     -0.8677840526     -1.7383052705
 C     -2.3026322569     -1.8029600837     -2.3154435871
 C     -1.3625496481     -2.4933535722     -2.6928317522
 C     -0.1222509037     -3.0068635174     -2.7367311077
 C      1.0349416694     -3.0440135201     -2.2896765329
 C      2.1088734921     -2.6773581648     -1.5448795792
 C      2.7750324292     -2.1352498293     -0.6672361232
 C      3.2058035011     -1.2078866562      0.2067617606
 C      3.3024655937     -0.1809132543      0.8760399217
 C      3.0721118421      0.8767885824      1.6764095776
 C      2.5003480782      1.7744618424      2.2866062918
18
# ORCA AIMD Position Step 651, t=651.00 fs, E_Pot=-685.23769483 Hartree, Unit is Angstrom
 C      1.3717911155      2.4381042913      2.7289550246
 C      0.1828892315      2.7405171352      2.7025804527
 C     -1.1230140787      2.8338756287      2.2941127021
 C     -2.0949383082      2.4234767724      1.6476732584
 C     -2.8172835010      1.9009441790      0.6049649997
 C     -3.2077371462      1.1337513065     -0.2460649786
 C     -3.3651467454      0.1684471819     -1.1592307347
 C     -3.0838279186     -0.8695376402     -1.7448862233
 C     -2.2981873229     -1.8013439444     -2.3149627045
 C     -1.3682850086     -2.4847066376     -2.6903737496
 C     -0.1236956434     -3.0018743365     -2.7447896625
 C      1.0429045368     -3.0469368277     -2.2915791833
 C      2.1068094530     -2.6832343108     -1.5541656990
 C      2.7671197994     -2.1297824460     -0.6693385852
 C      3.2000883934     -1.2125433243      0.2043663732
 C      3.2954588994     -0.1765323639      0.8814996313
 C      3.0646165665      0.8726341949      1.6836031695
 C      2.5032598041      1.7665792261      2.2933976159
18
# ORCA AIMD Position Step 652, t=652.00 fs, E_Pot=-685.23554266 Hartree, Unit is Angstrom
 C      1.3757311360      2.4336728917      2.7315974909
 C      0.1896175246      2.7399836532      2.7029292458
 C     -1.1223399876      2.8344558670      2.2941452044
 C     -2.0912466285      2.4265266988      1.6462758516
 C     -2.8180114524      1.9019968201      0.6124795285
 C     -3.2020062064      1.1311533847     -0.2429120515
 C     -3.3636667351      0.1696837301     -1.1641481211
 C     -3.0824815180     -0.8707022288     -1.7514272905
 C     -2.2942179313     -1.7997185597     -2.3146880117
 C     -1.3737786690     -2.4763655022     -2.6879396657
 C     -0.1229614009     -2.9968234910     -2.7518323811
 C      1.0487655351     -3.0496961266     -2.2943228758
 C      2.1053166540     -2.6888868296     -1.5625535037
 C      2.7585742726     -2.1248256741     -0.6726104949
 C      3.1946416729     -1.2154984948      0.2029086950
 C      3.2885107832     -0.1739049806      0.8861653571
 C      3.0570934900      0.8688290125      1.6909373249
 C      2.5050345539      1.7589170503      2.3005592712
18
# ORCA AIMD Position Step 653, t=653.00 fs, E_Pot=-685.23410952 Hartree, Unit is Angstrom
 C      1.3798303529      2.4290527390      2.7337686276
 C      0.1962696373      2.7394974904      2.7030992590
 C     -1.1217305930      2.8342205198      2.2938423936
 C     -2.0868098762      2.4301264593      1.6447152302
 C     -2.8184863733      1.9032607996      0.6210026264
 C     -3.1965212833      1.1287785130     -0.2397758399
 C     -3.3619572008      0.1700117162     -1.1693289967
 C     -3.0811896014     -0.8709912093     -1.7577491731
 C     -2.2913846478     -1.7976332636     -2.3144041382
 C     -1.3779917231     -2.4689747171     -2.6858333193
 C     -0.1199625905     -2.9916633678     -2.7577387560
 C      1.0518680365     -3.0523281001     -2.2982433777
 C      2.1047967605     -2.6940842440     -1.5696735805
 C      2.7492704180     -2.1205620550     -0.6772750500
 C      3.1894820959     -1.2163139492      0.2026835913
 C      3.2815946174     -0.1735166831      0.8897112999
 C      3.0498111882      0.8650040105      1.6981888285
 C      2.5054325769      1.7518753764      2.3083744707
18
# ORCA AIMD Position Step 654, t=654.00 fs, E_Pot=-685.23439620 Hartree, Unit is Angstrom
 C      1.3840440760      2.4242934858      2.7355283642
 C      0.2026045973      2.7390854072      2.7030445830
 C     -1.1208231077      2.8332463601      2.2933746622
 C     -2.0817323688      2.4342458616      1.6430042287
 C     -2.8188707543      1.9044572059      0.6301538524
 C     -3.1912170096      1.1267289655     -0.2365338606
 C     -3.3599736112      0.1694844067     -1.1746848145
 C     -3.0800715113     -0.8701961957     -1.7637191000
 C     -2.2901683364     -1.7947786925     -2.3139656607
 C     -1.3800730634     -2.4630593827     -2.6843114619
 C     -0.1148674247     -2.9863405901     -2.7624727865
 C      1.0519227183     -3.0548545285     -2.3035164486
 C      2.1054740781     -2.6986901907     -1.5753212241
 C      2.7392107989     -2.1170319582     -0.6833704665
 C      3.1845755484     -1.2148625306      0.2037590505
 C      3.2746972249     -0.1755674066      0.8920036726
 C      3.0429886774      0.8608430437      1.7051597998
 C      2.5043425364      1.7457203769      2.3170293362
18
# ORCA AIMD Position Step 655, t=655.00 fs, E_Pot=-685.23631687 Hartree, Unit is Angstrom
 C      1.3882144952      2.4195045164      2.7369579590
 C      0.2084337306      2.7387646394      2.7027305968
 C     -1.1192466617      2.8316297282      2.2929286208
 C     -2.0761600777      2.4388352330      1.6411421428
 C     -2.8193372820      1.9052851970      0.6395055380
 C     -3.1860374648      1.1251107648     -0.2330670015
 C     -3.3577070624      0.1682910695     -1.1800290628
 C     -3.0792349942     -0.8682050489     -1.7692501493
 C     -2.2907296552     -1.7910968871     -2.3133583408
 C     -1.3795286489     -2.4589162067     -2.6835237584
 C     -0.1080888583     -2.9808094176     -2.7660860053
 C      1.0490612851     -3.0572743496     -2.3101185742
 C      2.1073501806     -2.7026799590     -1.5794903819
 C      2.7285479744     -2.1141254695     -0.6907213999
 C      3.1798398564     -1.2113445130      0.2059597836
 C      3.2678270201     -0.1799577998      0.8931078185
 C      3.0367725463      0.8561486854      1.7117097619
 C      2.5018227078      1.7405307260      2.3265580122
18
# ORCA AIMD Position Step 656, t=656.00 fs, E_Pot=-685.23860319 Hartree, Unit is Angstrom
 C      1.3920814605      2.4148477859      2.7381583422
 C      0.2136318890      2.7385438934      2.7021385344
 C     -1.1166660452      2.8294758698      2.2926837158
 C     -2.0702629350      2.4438307763      1.6391181214
 C     -2.8200382225      1.9054694701      0.6486444184
 C     -3.1809511699      1.1240006077     -0.2292963574
 C     -3.3551859633      0.1667521808     -1.1850843593
 C     -3.0787669076     -0.8650138585     -1.7743124914
 C     -2.2928428778     -1.7868252223     -2.3127211805
 C     -1.3763188305     -2.4565457854     -2.6834803468
 C     -0.1002746719     -2.9750339647     -2.7687256190
 C      1.0438642199     -3.0595679344     -2.3178163923
 C      2.1101876865     -2.7061542573     -1.5823935147
 C      2.7175776079     -2.1115875201     -0.6989444861
 C      3.1751483437     -1.2062789963      0.2088743559
 C      3.2610137629     -0.1862867455      0.8932924851
 C      3.0312170627      0.8508700931      1.7177807799
 C      2.4981151630      1.7361737045      2.3368286806
18
# ORCA AIMD Position Step 657, t=657.00 fs, E_Pot=-685.23959617 Hartree, Unit is Angstrom
 C      1.3953246863      2.4105190254      2.7392476071
 C      0.2181432708      2.7384226948      2.7012682537
 C     -1.1128220847      2.8268891000      2.2927856889
 C     -2.0642072480      2.4491635140      1.6369184305
 C     -2.8210836815      1.9048025028      0.6572331751
 C     -3.1759520415      1.1234126127     -0.2252077106
 C     -3.3524706751      0.1653026284     -1.1895068553
 C     -3.0787240998     -0.8607249024     -1.7789383060
 C     -2.2959273827     -1.7824591329     -2.3123316356
 C     -1.3708431130     -2.4556566841     -2.6840502312
 C     -0.0922787116     -2.9689788753     -2.7706492597
 C      1.0373186230     -3.0617158313     -2.3261917123
 C      2.1135559469     -2.7093307929     -1.5844413065
 C      2.7066895147     -2.1090487106     -0.7074993122
 C      3.1703391246     -1.2004501832      0.2118938644
 C      3.2542962323     -0.1938894836      0.8930120267
 C      3.0262789976      0.8450964267      1.7234119682
 C      2.4936162964      1.7323148051      2.3475732892
18
# ORCA AIMD Position Step 658, t=658.00 fs, E_Pot=-685.23850277 Hartree, Unit is Angstrom
 C      1.3976226993      2.4067158437      2.7403501323
 C      0.2219669956      2.7383984099      2.7001368394
 C     -1.1075651800      2.8239546896      2.2933230218
 C     -2.0581246580      2.4547737132      1.6345318339
 C     -2.8225227986      1.9031721824      0.6650615127
 C     -3.1710600370      1.1232933227     -0.2208551730
 C     -3.3496398320      0.1644339586     -1.1929275444
 C     -3.0791201277     -0.8555338369     -1.7832263354
 C     -2.2992044219     -1.7786226377     -2.3125343127
 C     -1.3638044246     -2.4557586314     -2.6850124381
 C     -0.0850728888     -2.9626023080     -2.7721994427
 C      1.0306821367     -3.0637152857     -2.3347132652
 C      2.1169149013     -2.7125087870     -1.5861723362
 C      2.6963044137     -2.1060824665     -0.7157773388
 C      3.1652320916     -1.1948001690      0.2142925248
 C      3.2477139396     -0.2019253760      0.8928541579
 C      3.0218403736      0.8390067360      1.7287197422
 C      2.4888065761      1.7284901884      2.3584526767
18
# ORCA AIMD Position Step 659, t=659.00 fs, E_Pot=-685.23613533 Hartree, Unit is Angstrom
 C      1.3987153206      2.4036071289      2.7415829902
 C      0.2251333079      2.7384730352      2.6987764095
 C     -1.1008751474      2.8207283775      2.2943117102
 C     -2.0520921906      2.4606178494      1.6319577116
 C     -2.8243375981      1.9005708046      0.6720646985
 C     -3.1663199698      1.1235289007     -0.2163545538
 C     -3.3467739259      0.1646277619     -1.1949966413
 C     -3.0799183918     -0.8497013119     -1.7873279036
 C     -2.3018856865     -1.7759170537     -2.3136605595
 C     -1.3560331810     -2.4562871317     -2.6861200714
 C     -0.0796112094     -2.9558615121     -2.7737522100
 C      1.0252786469     -3.0655887607     -2.3428319364
 C      2.1197265205     -2.7160054419     -1.5881432411
 C      2.6868042007     -2.1022808944     -0.7232085627
 C      3.1596516570     -1.1902800101      0.2153361809
 C      3.2413011713     -0.2095142461      0.8934489625
 C      3.0177473026      0.8328099038      1.7338624426
 C      2.4841647083      1.7242032104      2.3691270003
18
# ORCA AIMD Position Step 660, t=660.00 fs, E_Pot=-685.23443991 Hartree, Unit is Angstrom
 C      1.3984623129      2.4013063057      2.7430434221
 C      0.2276781114      2.7386593759      2.6972312534
 C     -1.0928697042      2.8172351321      2.2956898021
 C     -2.0461272580      2.4666661670      1.6292122694
 C     -2.8264449474      1.8970910279      0.6783155004
 C     -3.1617991602      1.1239624396     -0.2118698005
 C     -3.3439391437      0.1662818633     -1.1954279621
 C     -3.0810312855     -0.8435151826     -1.7914200213
 C     -2.3033348988     -1.7747958677     -2.3159612225
 C     -1.3483369379     -2.4567110695     -2.6871538565
 C     -0.0766429272     -2.9487319566     -2.7756414609
 C      1.0222505522     -3.0673772830     -2.3500860503
 C      2.1215639782     -2.7200774680     -1.5908064107
 C      2.6784655987     -2.0973395288     -0.7293706011
 C      3.1534531551     -1.1876709383      0.2144158929
 C      3.2350825903     -0.2159085181      0.8953455977
 C      3.0138507368      0.8266929644      1.7390004730
 C      2.4800878930      1.7190191089      2.3793145512
18
# ORCA AIMD Position Step 661, t=661.00 fs, E_Pot=-685.23501486 Hartree, Unit is Angstrom
 C      1.3968889558      2.3998491755      2.7447972221
 C      0.2296255560      2.7389848222      2.6955585085
 C     -1.0838081454      2.8134780775      2.2973211605
 C     -2.0402030786      2.4728893684      1.6263314961
 C     -2.8287030669      1.8929143955      0.6839942493
 C     -3.1575867390      1.1244173471     -0.2075960879
 C     -3.3411743659      0.1696359814     -1.1940438113
 C     -3.0823253445     -0.8372512746     -1.7956671393
 C     -2.3031716138     -1.7754845266     -2.3195611050
 C     -1.3414091951     -2.4566038937     -2.6879546863
 C     -0.0765101698     -2.9412413522     -2.7780758939
 C      1.0223129640     -3.0691207871     -2.3561921646
 C      2.1221930505     -2.7248448409     -1.5944019865
 C      2.6714150147     -2.0911402142     -0.7340767587
 C      3.1465559030     -1.1874079463      0.2111831296
 C      3.2290743706     -0.2206603307      0.8988817299
 C      3.0100408352      0.8207907299      1.7442604199
 C      2.4768321950      1.7126484481      2.3888220404
18
# ORCA AIMD Position Step 662, t=662.00 fs, E_Pot=-685.23775702 Hartree, Unit is Angstrom
 C      1.3942149629      2.3991804650      2.7468696460
 C      0.2309835742      2.7394905454      2.6938308784
 C     -1.0740897061      2.8094571816      2.2990082229
 C     -2.0342758325      2.4792401273      1.6233697536
 C     -2.8309221554      1.8882970648      0.6893459742
 C     -3.1537883162      1.1247235259     -0.2037335666
 C     -3.3384846467      0.1747024804     -1.1908230584
 C     -3.0836340574     -0.8311358779     -1.8001795023
 C     -2.3013292015     -1.7779368359     -2.3244314959
 C     -1.3357751190     -2.4556862415     -2.6884400082
 C     -0.0790023501     -2.9335079306     -2.7810810080
 C      1.0255797465     -3.0708316384     -2.3610992268
 C      2.1216134702     -2.7302393876     -1.5988964049
 C      2.6656117017     -2.0838102599     -0.7374218631
 C      3.1389746004     -1.1894564082      0.2056583229
 C      3.2232854225     -0.2237318344      0.9040822448
 C      3.0062711077      0.8151699753      1.7497046146
 C      2.4744774416      1.7050087112      2.3975556463
18
# ORCA AIMD Position Step 663, t=663.00 fs, E_Pot=-685.24087948 Hartree, Unit is Angstrom
 C      1.3908431215      2.3991519893      2.7492476313
 C      0.2317595318      2.7402257679      2.6921315137
 C     -1.0642131519      2.8051802387      2.3005175031
 C     -2.0283091724      2.4856464690      1.6203830691
 C     -2.8328868805      1.8835349972      0.6946439669
 C     -3.1505057514      1.1247545038     -0.2004431734
 C     -3.3358347337      0.1812290802     -1.1859343752
 C     -3.0847768307     -0.8253023067     -1.8049881583
 C     -2.2980767721     -1.7818247724     -2.3303856505
 C     -1.3317319050     -2.4538553347     -2.6886149682
 C     -0.0833573571     -2.9257417197     -2.7844981095
 C      1.0315387209     -3.0724815134     -2.3649979537
 C      2.1200470190     -2.7360140344     -1.6040003346
 C      2.6608553872     -2.0757152364     -0.7397716870
 C      3.1308207705     -1.1932999145      0.1982571561
 C      3.2177109207     -0.2255045821      0.9106403682
 C      3.0025667343      0.8098090109      1.7553191437
 C      2.4729105759      1.6962439579      2.4055424806
18
# ORCA AIMD Position Step 664, t=664.00 fs, E_Pot=-685.24227494 Hartree, Unit is Angstrom
 C      1.3872957494      2.3995440732      2.7518923773
 C      0.2319743854      2.7412423193      2.6905479168
 C     -1.0546999648      2.8006652368      2.3016147621
 C     -2.0222788760      2.4920225983      1.6174164937
 C     -2.8343934568      1.8789086350      0.7001439275
 C     -3.1478121475      1.1244616635     -0.1977974965
 C     -3.3331540599      0.1887363119     -1.1797226349
 C     -3.0855853640     -0.8197651273     -1.8100417249
 C     -2.2939648669     -1.7865949773     -2.3371194163
 C     -1.3293155094     -2.4511833708     -2.6885648449
 C     -0.0884625435     -2.9182015448     -2.7880562563
 C      1.0392284364     -3.0740124731     -2.3682602918
 C      2.1178790882     -2.7418048126     -1.6092533684
 C      2.6568224902     -2.0673867667     -0.7416944736
 C      3.1222749993     -1.1980774005      0.1896918373
 C      3.2123258729     -0.2266591786      0.9180115324
 C      2.9990044304      0.8046001695      1.7610346804
 C      2.4718590702      1.6866736778      2.4129258563
18
# ORCA AIMD Position Step 665, t=665.00 fs, E_Pot=-685.24096800 Hartree, Unit is Angstrom
 C      1.3841262052      2.4001039331      2.7547558604
 C      0.2316829020      2.7425874617      2.6891662962
 C     -1.0460319476      2.7959419224      2.3020937141
 C     -2.0161883629      2.4982744574      1.6144858317
 C     -2.8352701368      1.8746466422      0.7060502953
 C     -3.1457367907      1.1238935518     -0.1957491947
 C     -3.3303490218      0.1965841333     -1.1726667110
 C     -3.0859166809     -0.8144312800     -1.8152229764
 C     -2.2897568831     -1.7915382608     -2.3442575625
 C     -1.3283057826     -2.4478973592     -2.6884428284
 C     -0.0931175531     -2.9111490213     -2.7914573392
 C      1.0475066782     -3.0753534289     -2.3713379601
 C      2.1155608550     -2.7472188273     -1.6141482134
 C      2.6531371071     -2.0594193994     -0.7438438968
 C      3.1135484487     -1.2027878624      0.1808138929
 C      3.2070885518     -0.2279870843      0.9255589006
 C      2.9956944560      0.7993637713      1.7667450642
 C      2.4709520542      1.6767196400      2.4199374147
18
# ORCA AIMD Position Step 666, t=666.00 fs, E_Pot=-685.23763517 Hartree, Unit is Angstrom
 C      1.3818170090      2.4005892552      2.7577911826
 C      0.2310035406      2.7442933010      2.6880697607
 C     -1.0385920328      2.7910526390      2.3018052797
 C     -2.0100942820      2.5043013640      1.6115592762
 C     -2.8353901894      1.8708962746      0.7124880541
 C     -3.1442619159      1.1231993170     -0.1941269593
 C     -3.3273191875      0.2040706463     -1.1653065516
 C     -3.0856606250     -0.8091344032     -1.8203798623
 C     -2.2863226100     -1.7958860379     -2.3514041846
 C     -1.3282597029     -2.4443411370     -2.6884523634
 C     -0.0962760555     -2.9048012994     -2.7944351726
 C      1.0552892124     -3.0764383717     -2.3746737644
 C      2.1135140347     -2.7519121953     -1.6182362080
 C      2.6494527792     -2.0523577339     -0.7468282165
 C      3.1048430963     -1.2064883254      0.1724484590
 C      3.2019470491     -0.2302214166      0.9326874020
 C      2.9927591998      0.7938725180      1.7723244894
 C      2.4697903705      1.6668310372      2.4268520704
18
# ORCA AIMD Position Step 667, t=667.00 fs, E_Pot=-685.23408986 Hartree, Unit is Angstrom
 C      1.3807041181      2.4008089477      2.7609641997
 C      0.2301334501      2.7463677208      2.6873365020
 C     -1.0326397119      2.7860524108      2.3006667726
 C     -2.0041038406      2.5100026424      1.6085631607
 C     -2.8346808053      1.8677145160      0.7194857636
 C     -3.1433286073      1.1226176230     -0.1926455299
 C     -3.3239745343      0.2105131109     -1.1581848021
 C     -3.0847388734     -0.8036808576     -1.8253549193
 C     -2.2845016159     -1.7989147312     -2.3582003103
 C     -1.3286275862     -2.4408971671     -2.6888063079
 C     -0.0971792518     -2.8993079409     -2.7967973904
 C      1.0617129235     -3.0772184131     -2.3786318201
 C      2.1120692666     -2.7556362166     -1.6211955729
 C      2.6455001975     -2.0466279510     -0.7511273833
 C      3.0963236129     -1.2084250973      0.1652776405
 C      3.1968490525     -0.2339314033      0.9389297648
 C      2.9902994630      0.7879115651      1.7776707773
 C      2.4680261721      1.6573883225      2.4339232022
18
# ORCA AIMD Position Step 668, t=668.00 fs, E_Pot=-685.23223809 Hartree, Unit is Angstrom
 C      1.3809345245      2.4006475009      2.7642554818
 C      0.2293399003      2.7487913287      2.6870389045
 C     -1.0282935035      2.7810097646      2.2986683993
 C     -1.9983750879      2.5152788940      1.6053913501
 C     -2.8331230370      1.8650764089      0.7269773929
 C     -3.1428522163      1.1224387055     -0.1909545803
 C     -3.3202459738      0.2153255061     -1.1517836319
 C     -3.0831048764     -0.7978873083     -1.8300060833
 C     -2.2849562110     -1.8000538144     -2.3643739449
 C     -1.3288886018     -2.4378985608     -2.6896872688
 C     -0.0954127630     -2.8947431897     -2.7984320600
 C      1.0662200858     -3.0776654342     -2.3834599793
 C      2.1114224515     -2.7582619419     -1.6228684618
 C      2.6411296861     -2.0424816150     -0.7570206807
 C      3.0880954975     -1.2081149387      0.1597579911
 C      3.1917509091     -0.2394732889      0.9439868534
 C      2.9883676315      0.7813324002      1.7827354821
 C      2.4654251134      1.6486363975      2.4413268395
18
# ORCA AIMD Position Step 669, t=669.00 fs, E_Pot=-685.23300534 Hartree, Unit is Angstrom
 C      1.3824560513      2.4000758798      2.7676566432
 C      0.2289384016      2.7515132323      2.6872391558
 C     -1.0255340162      2.7760151918      2.2958775393
 C     -1.9931159902      2.5200322378      1.6019249576
 C     -2.8307533024      1.8628977464      0.7347996511
 C     -3.1427374707      1.1229506451     -0.1886966888
 C     -3.3160965777      0.2180718678     -1.1464816932
 C     -3.0807470947     -0.7916200465     -1.8342168009
 C     -2.2880318422     -1.7989794559     -2.3697741413
 C     -1.3286964602     -2.4355456003     -2.6912023798
 C     -0.0909158663     -2.8911157843     -2.7993050415
 C      1.0685897701     -3.0777732207     -2.3892591622
 C      2.1116137507     -2.7597857077     -1.6232787782
 C      2.6363396014     -2.0399687714     -0.7645332631
 C      3.0802053216     -1.2053879462      0.1560819796
 C      3.1866301408     -0.2469615205      0.9477354993
 C      2.9869512089      0.7741046111      1.7875417776
 C      2.4619122692      1.6406538993      2.4491071975
18
# ORCA AIMD Position Step 670, t=670.00 fs, E_Pot=-685.23581888 Hartree, Unit is Angstrom
 C      1.3850302675      2.3991513245      2.7711631579
 C      0.2292473061      2.7544517993      2.6879810914
 C     -1.0242029761      2.7711852904      2.2924399147
 C     -1.9885645186      2.5241682718      1.5980630504
 C     -2.8276662076      1.8610543432      0.7427013705
 C     -3.1428962496      1.1243824099     -0.1855841244
 C     -3.3115319133      0.2185284752     -1.1425054717
 C     -3.0776936810     -0.7848282450     -1.8379038368
 C     -2.2936514261     -1.7956867074     -2.3743899699
 C     -1.3279827504     -2.4338474231     -2.6933555947
 C     -0.0839958178     -2.8883769202     -2.7994613713
 C      1.0689583008     -3.0775608764     -2.3959612593
 C      2.1125129645     -2.7603396841     -1.6226420727
 C      2.6312932767     -2.0389155590     -0.7733994838
 C      3.0726479137     -1.2004183085      0.1541504391
 C      3.1815009279     -0.2562403059      0.9502380686
 C      2.9859658723      0.7663447077      1.7921848266
 C      2.4575941655      1.6333492082      2.4571483933
18
# ORCA AIMD Position Step 671, t=671.00 fs, E_Pot=-685.23888367 Hartree, Unit is Angstrom
 C      1.3882826671      2.3980034855      2.7747776446
 C      0.2305269353      2.7575079425      2.6892790784
 C     -1.0240112288      2.7666452957      2.2885621943
 C     -1.9849415934      2.5276231315      1.5937429487
 C     -2.8240088424      1.8594017131      0.7503862127
 C     -3.1432604926      1.1268429584     -0.1814592625
 C     -3.3065946428      0.2167411713     -1.1398726034
 C     -3.0740081630     -0.7775533317     -1.8410429312
 C     -2.3013078517     -1.7904987748     -2.3783595340
 C     -1.3269736622     -2.4326098963     -2.6960431539
 C     -0.0753191658     -2.8864103650     -2.7990338566
 C      1.0678273724     -3.0770793403     -2.4033362352
 C      2.1138322310     -2.7601936152     -1.6213626009
 C      2.6262973501     -2.0389313602     -0.7830873785
 C      3.0653574765     -1.1937205244      0.1535610053
 C      3.1764061365     -0.2668841015      0.9517654062
 C      2.9852642133      0.7582835131      1.7968208607
 C      2.4527371496      1.6264717332      2.4652076103
18
# ORCA AIMD Position Step 672, t=672.00 fs, E_Pot=-685.24029269 Hartree, Unit is Angstrom
 C      1.3917881270      2.3968004558      2.7785156791
 C      0.2329258236      2.7605873176      2.6911142682
 C     -1.0245756978      2.7625084543      2.2844762810
 C     -1.9823983514      2.5303850496      1.5889559241
 C     -2.8199595447      1.8577943910      0.7575678123
 C     -3.1437940591      1.1302908037     -0.1763267587
 C     -3.3013522553      0.2130375688     -1.1383679901
 C     -3.0697706699     -0.7699223544     -1.8436893249
 C     -2.3101866909     -1.7839828999     -2.3819424354
 C     -1.3261042574     -2.4314897667     -2.6990889535
 C     -0.0658492271     -2.8850348039     -2.7982380879
 C      1.0660095204     -3.0764140817     -2.4110357658
 C      2.1151738714     -2.7597280018     -1.6199835710
 C      2.6217456322     -2.0394618870     -0.7928944767
 C      3.0582063799     -1.1860763707      0.1536511501
 C      3.1714051598     -0.2782472497      0.9527931749
 C      2.9846637706      0.7501925702      1.8016397450
 C      2.4477008459      1.6196591109      2.4729857089
18
# ORCA AIMD Position Step 673, t=673.00 fs, E_Pot=-685.23926608 Hartree, Unit is Angstrom
 C      1.3951610634      2.3957082219      2.7824007706
 C      0.2364532518      2.7636162816      2.6934419939
 C     -1.0254774951      2.7588683440      2.2804023211
 C     -1.9809832925      2.5324994280      1.5837616783
 C     -2.8157068352      1.8561076243      0.7640065812
 C     -3.1445012209      1.1345361543     -0.1703506684
 C     -3.2958872356      0.2079858021     -1.1375707875
 C     -3.0650560245     -0.7621418376     -1.8459829236
 C     -2.3193510304     -1.7768160549     -2.3854626628
 C     -1.3258797871     -2.4300860225     -2.7022930217
 C     -0.0567349992     -2.8840205289     -2.7973473669
 C      1.0645030157     -3.0756811093     -2.4186571223
 C      2.1161037065     -2.7593755982     -1.6190987439
 C      2.6180532451     -2.0398882128     -0.8020729817
 C      3.0510307668     -1.1784107446      0.1535987219
 C      3.1665666965     -0.2895519694      0.9539527041
 C      2.9839811333      0.7423109928      1.8068230452
 C      2.4428567427      1.6125198960      2.4801967879
18
# ORCA AIMD Position Step 674, t=674.00 fs, E_Pot=-685.23661672 Hartree, Unit is Angstrom
 C      1.3981280481      2.3948540487      2.7864661346
 C      0.2409768980      2.7665562769      2.6961908691
 C     -1.0263297547      2.7557872974      2.2765180473
 C     -1.9806259183      2.5340663868      1.5782903840
 C     -2.8114321777      1.8542492891      0.7695372180
 C     -3.1454194294      1.1392779660     -0.1638226487
 C     -3.2902965312      0.2023091091     -1.1369193227
 C     -3.0599203506     -0.7544813582     -1.8481348514
 C     -2.3279111656     -1.7696625133     -2.3892492083
 C     -1.3267483189     -2.4280296269     -2.7054755334
 C     -0.0491448459     -2.8831269430     -2.7966455304
 C      1.0643106275     -3.0750073023     -2.4258158511
 C      2.1162483390     -2.7595311207     -1.6192407525
 C      2.6155752077     -2.0396489364     -0.8099731490
 C      3.0436582192     -1.1716380520      0.1525632703
 C      3.1619556441     -0.3000027011      0.9559305962
 C      2.9830691423      0.7347966544      1.8125117728
 C      2.4385196621      1.6047157956      2.4866217223
18
# ORCA AIMD Position Step 675, t=675.00 fs, E_Pot=-685.23417565 Hartree, Unit is Angstrom
 C      1.4005705273      2.3942984558      2.7907425800
 C      0.2462352984      2.7694025664      2.6992702067
 C     -1.0268086142      2.7533009294      2.2729450260
 C     -1.9811395164      2.5352331444      1.5727457493
 C     -2.8072990533      1.8521695484      0.7740709430
 C     -3.1466201810      1.1441341342     -0.1571294802
 C     -3.2846822780      0.1967917483     -1.1357867434
 C     -3.0543927606     -0.7472459013     -1.8504007628
 C     -2.3351429190     -1.7630773035     -2.3935878880
 C     -1.3290116882     -2.4250456841     -2.7085050951
 C     -0.0440846947     -2.8821386319     -2.7963704591
 C      1.0662242942     -3.0745085600     -2.4322290725
 C      2.1153819078     -2.7604593882     -1.6207602193
 C      2.6145382640     -2.0383536289     -0.8161675384
 C      3.0359485348     -1.1664934524      0.1498472406
 C      3.1576281602     -0.3089369606      0.9593340330
 C      2.9818375345      0.7276976158      1.8187823739
 C      2.4348875842      1.5960343073      2.4921454811
18
# ORCA AIMD Position Step 676, t=676.00 fs, E_Pot=-685.23346993 Hartree, Unit is Angstrom
 C      1.4025409111      2.3940179313      2.7952482006
 C      0.2518670893      2.7721786051      2.7025776430
 C     -1.0266831703      2.7514260832      2.2697410705
 C     -1.9822435049      2.5361709464      1.5673939981
 C     -2.8034402455      1.8498736696      0.7775969018
 C     -3.1481996557      1.1486814998     -0.1507102531
 C     -3.2791423537      0.1921585667     -1.1335880298
 C     -3.0484893823     -0.7407224151     -1.8530284409
 C     -2.3405620831     -1.7574463349     -2.3986840440
 C     -1.3327714266     -2.4209950007     -2.7113124084
 C     -0.0421899582     -2.8809054383     -2.7966488874
 C      1.0706062513     -3.0742605528     -2.4377859270
 C      2.1134875804     -2.7622218273     -1.6237420075
 C      2.6149944449     -2.0358732390     -0.8205319246
 C      3.0278338167     -1.1633706188      0.1450686353
 C      3.1536166088     -0.3159741144      0.9645307309
 C      2.9802667839      0.7209495054      1.8256271481
 C      2.4320090929      1.5864425532      2.4967745031
18
# ORCA AIMD Position Step 677, t=677.00 fs, E_Pot=-685.23454775 Hartree, Unit is Angstrom
 C      1.4042223354      2.3939162968      2.7999813923
 C      0.2574482084      2.7749252935      2.7060001925
 C     -1.0258162838      2.7501648584      2.2669153686
 C     -1.9835918782      2.5370630814      1.5625483811
 C     -2.7999679778      1.8474061745      0.7801555209
 C     -3.1502589120      1.1525035861     -0.1450103842
 C     -3.2737640066      0.1889750014     -1.1298715254
 C     -3.0422417505     -0.7351213096     -1.8561975753
 C     -2.3439290918     -1.7529789716     -2.4046415973
 C     -1.3379116057     -2.4158914101     -2.7138894160
 C     -0.0436122552     -2.8793670762     -2.7974636095
 C      1.0772526805     -3.0742812964     -2.4425812761
 C      2.1107931999     -2.7646435915     -1.6279621120
 C      2.6167964165     -2.0323860633     -0.8232787206
 C      3.0193552402     -1.1622281448      0.1382837656
 C      3.1499230017     -0.3211006768      0.9715284199
 C      2.9784085484      0.7144055849      1.8329542231
 C      2.4297979547      1.5761018358      2.5006235502
18
# ORCA AIMD Position Step 678, t=678.00 fs, E_Pot=-685.23612093 Hartree, Unit is Angstrom
 C      1.4058834991      2.3938399646      2.8049164709
 C      0.2625421528      2.7776874327      2.7094222467
 C     -1.0241528584      2.7495095626      2.2644400236
 C     -1.9848202226      2.5380778707      1.5585281006
 C     -2.7969634871      1.8448509395      0.7818332556
 C     -3.1528875118      1.1552356531     -0.1404271859
 C     -3.2686033263      0.1875389476     -1.1244167125
 C     -3.0357170582     -0.7305059326     -1.8599578677
 C     -2.3452842542     -1.7496777913     -2.4114469326
 C     -1.3440810837     -2.4099184789     -2.7162939398
 C     -0.0479977526     -2.8775528978     -2.7986545170
 C      1.0854015477     -3.0745295907     -2.4469057337
 C      2.1077278338     -2.7673556007     -1.6329415433
 C      2.6196299429     -2.0283358798     -0.8249027623
 C      3.0106667384     -1.1625947393      0.1300054783
 C      3.1465130192     -0.3246730288      0.9799496305
 C      2.9763814986      0.7078488761      1.8405918792
 C      2.4280418815      1.5653612825      2.5039101643
18
# ORCA AIMD Position Step 679, t=679.00 fs, E_Pot=-685.23669009 Hartree, Unit is Angstrom
 C      1.4078028716      2.3936145380      2.8100163243
 C      0.2667772283      2.7805055219      2.7127401976
 C     -1.0216980478      2.7494417388      2.2622650537
 C     -1.9856024884      2.5393497785      1.5556034852
 C     -2.7944690049      1.8423067271      0.7827450590
 C     -3.1561480664      1.1566191291     -0.1372468408
 C     -3.2636661419      0.1878270411     -1.1172732477
 C     -3.0290157875     -0.7267483907     -1.8642022265
 C     -2.3449414177     -1.7473363867     -2.4189796099
 C     -1.3507237237     -2.4034111547     -2.7186512158
 C     -0.0546207447     -2.8755603943     -2.7999706782
 C      1.0939156405     -3.0749210866     -2.4511826729
 C      2.1048252841     -2.7698942913     -1.6380695151
 C      2.6230862675     -2.0243196493     -0.8260706673
 C      3.0019950779     -1.1636961615      0.1210773458
 C      3.1433204187     -0.3273119214      0.9891388885
 C      2.9743494281      0.7010156418      1.8483271732
 C      2.4264458093      1.5546842230      2.5069267450
18
# ORCA AIMD Position Step 680, t=680.00 fs, E_Pot=-685.23571723 Hartree, Unit is Angstrom
 C      1.4101984909      2.3930767772      2.8152376054
 C      0.2699178362      2.7833989043      2.7158780225
 C     -1.0184862009      2.7499424491      2.2603360121
 C     -1.9857033206      2.5409554959      1.5539516550
 C     -2.7924836068      1.8398751333      0.7830150644
 C     -3.1600668059      1.1565401670     -0.1355934647
 C     -3.2589027888      0.1895053739     -1.1087556389
 C     -3.0222601079     -0.7235448994     -1.8686781322
 C     -2.3434516366     -1.7455579757     -2.4270367278
 C     -1.3571266678     -2.3968234966     -2.7211461133
 C     -0.0625873318     -2.8735162699     -2.8011349593
 C      1.1015427980     -3.0753506091     -2.4558712263
 C      2.1025962676     -2.7718191827     -1.6427627008
 C      2.6267600093     -2.0209463972     -0.8274671199
 C      2.9935866014     -1.1646526652      0.1124685430
 C      3.1402639419     -0.3297389976      0.9983359056
 C      2.9724856715      0.6936306337      1.8559506887
 C      2.4246783972      1.5445652049      2.5099980395
18
# ORCA AIMD Position Step 681, t=681.00 fs, E_Pot=-685.23385942 Hartree, Unit is Angstrom
 C      1.4131616786      2.3921146058      2.8205408062
 C      0.2719003017      2.7863561612      2.7187939588
 C     -1.0145569223      2.7509969696      2.2586085074
 C     -1.9850047313      2.5429054790      1.5536392895
 C     -2.7909725720      1.8376416393      0.7827497865
 C     -3.1646240847      1.1550462351     -0.1354087129
 C     -3.2542262275      0.1920158438     -1.0993735072
 C     -3.0155800322     -0.7204831355     -1.8730426354
 C     -2.3415031618     -1.7438290080     -2.4353702673
 C     -1.3625163046     -2.3906639667     -2.7239981035
 C     -0.0710245728     -2.8715461959     -2.8019001451
 C      1.1071601953     -3.0757099444     -2.4613696820
 C      2.1014239084     -2.7728002311     -1.6465871134
 C      2.6303241463     -2.0187208320     -0.8296672211
 C      2.9856608438     -1.1646679876      0.1050734966
 C      3.1372614537     -0.3326228832      1.0068323053
 C      2.9709346957      0.6854683412      1.8633062086
 C      2.4224496315      1.5354271530      2.5134180797
18
# ORCA AIMD Position Step 682, t=682.00 fs, E_Pot=-685.23238274 Hartree, Unit is Angstrom
 C      1.4166241579      2.3906876069      2.8258900934
 C      0.2728430411      2.7893285154      2.7214811159
 C     -1.0099458468      2.7525983704      2.2570559007
 C     -1.9835083187      2.5451462337      1.5546250448
 C     -2.7898782823      1.8356696281      0.7820242579
 C     -3.1697540043      1.1523416098     -0.1364557038
 C     -3.2495382378      0.1946808452     -1.0897512517
 C     -3.0090986818     -0.7171286816     -1.8769275209
 C     -2.3397944554     -1.7416132764     -2.4437291166
 C     -1.3661795426     -2.3854164734     -2.7274249752
 C     -0.0791908352     -2.8697591368     -2.8020798359
 C      1.1099357645     -3.0758941749     -2.4679402288
 C      2.1014909954     -2.7726654641     -1.6493345070
 C      2.6335752835     -2.0179584281     -0.8330412287
 C      2.9783796322     -1.1631603436      0.0995683793
 C      3.1342489148     -0.3364867679      1.0140679243
 C      2.9697741638      0.6764084665      1.8703316663
 C      2.4195692134      1.5275470369      2.5173910111
18
# ORCA AIMD Position Step 683, t=683.00 fs, E_Pot=-685.23228356 Hartree, Unit is Angstrom
 C      1.4203583355      2.3888365229      2.8312519940
 C      0.2730252955      2.7922307587      2.7239632751
 C     -1.0046917501      2.7547452912      2.2556677376
 C     -1.9813208842      2.5475671757      1.5567757571
 C     -2.7891298799      1.8340017122      0.7808806256
 C     -3.1753457121      1.1487675195     -0.1383449612
 C     -3.2447564694      0.1968049921     -1.0805506215
 C     -3.0029247886     -0.7131039584     -1.8799974487
 C     -2.3388893678     -1.7384622558     -2.4518992788
 C     -1.3676065638     -2.3814497721     -2.7315979036
 C     -0.0865123575     -2.8682461917     -2.8015608008
 C      1.1094055816     -3.0758030484     -2.4756654478
 C      2.1027473702     -2.7714156769     -1.6510503632
 C      2.6364511405     -2.0187380477     -0.8376968415
 C      2.9718362371     -1.1598416964      0.0963263911
 C      3.1311868230     -0.3416579187      1.0196754244
 C      2.9689922310      0.6664835886      1.8770770079
 C      2.4159910895      1.5210082140      2.5219883891
18
# ORCA AIMD Position Step 684, t=684.00 fs, E_Pot=-685.23365051 Hartree, Unit is Angstrom
 C      1.4240068767      2.3866781160      2.8365935859
 C      0.2728414662      2.7949517454      2.7262860925
 C     -0.9988557133      2.7574331611      2.2544426325
 C     -1.9786246594      2.5500177649      1.5598902486
 C     -2.7886524815      1.8326612065      0.7793356582
 C     -3.1812478001      1.1447642400     -0.1405820454
 C     -3.2398373681      0.1977703542     -1.0723910456
 C     -2.9971492772     -0.7081485455     -1.8820013099
 C     -2.3390807384     -1.7341249070     -2.4597380859
 C     -1.3666297819     -2.3789284406     -2.7365976533
 C     -0.0925903899     -2.8670833733     -2.8003057318
 C      1.1055029477     -3.0753451537     -2.4844352098
 C      2.1049161458     -2.7692184952     -1.6520198794
 C      2.6390225466     -2.0208894271     -0.8434658168
 C      2.9660522030     -1.1547541634      0.0953788571
 C      3.1280673532     -0.3482344055      1.0235070027
 C      2.9684833273      0.6558973435      1.8836965318
 C      2.4118350716      1.5156866769      2.5271275976
18
# ORCA AIMD Position Step 685, t=685.00 fs, E_Pot=-685.23565111 Hartree, Unit is Angstrom
 C      1.4271414201      2.3843879503      2.8418823198
 C      0.2727530646      2.7973680240      2.7285151630
 C     -0.9925455283      2.7606502322      2.2533693501
 C     -1.9756406324      2.5523248022      1.5637301870
 C     -2.7883653232      1.8316659507      0.7774002518
 C     -3.1872879924      1.1408126668     -0.1426309029
 C     -3.2347853945      0.1971155956     -1.0657771146
 C     -2.9918323083     -0.7021635090     -1.8828103433
 C     -2.3403181814     -1.7285995851     -2.4671998626
 C     -1.3635037365     -2.3777610333     -2.7423900669
 C     -0.0972001838     -2.8663308838     -2.7983558814
 C      1.0985351339     -3.0744493995     -2.4939659517
 C      2.1075368781     -2.7663830902     -1.6527292893
 C      2.6414726072     -2.0240161453     -0.8499304922
 C      2.9609848809     -1.1482624976      0.0964090682
 C      3.1249134954     -0.3560772772      1.0256576574
 C      2.9680670118      0.6449904972      1.8904151204
 C      2.4073599177      1.5112775887      2.5325990774
18
# ORCA AIMD Position Step 686, t=686.00 fs, E_Pot=-685.23708578 Hartree, Unit is Angstrom
 C      1.4293533485      2.3821580895      2.8470950981
 C      0.2732105333      2.7993709007      2.7307274235
 C     -0.9859152918      2.7643757647      2.2524173938
 C     -1.9725860850      2.5543194580      1.5680556927
 C     -2.7881841229      1.8310331054      0.7750944973
 C     -3.1933013496      1.1373537415     -0.1440011269
 C     -3.2296514935      0.1946165911     -1.0610054414
 C     -2.9869827734     -0.6952350516     -1.8824546729
 C     -2.3422272555     -1.7221191769     -2.4743397686
 C     -1.3588707421     -2.3776099451     -2.7488391696
 C     -0.1003336767     -2.8660231548     -2.7958288648
 C      1.0891480703     -3.0730792513     -2.5038527973
 C      2.1100467628     -2.7633041598     -1.6537813751
 C      2.6440556091     -2.0275725505     -0.8565154238
 C      2.9565314702     -1.1410035856      0.0987871906
 C      3.1217746077     -0.3648181022      1.0264807090
 C      2.9675225172      0.6341599874      1.8974851330
 C      2.4029032482      1.5073589824      2.5381217389
18
# ORCA AIMD Position Step 687, t=687.00 fs, E_Pot=-685.23712295 Hartree, Unit is Angstrom
 C      1.4303276552      2.3801574958      2.8522256581
 C      0.2745835988      2.8008894190      2.7330008845
 C     -0.9791637553      2.7685786478      2.2515264329
 C     -1.9696297243      2.5558616467      1.5726630199
 C     -2.7880261960      1.8307814271      0.7724542348
 C     -3.1991504202      1.1347213086     -0.1443181915
 C     -3.2245276382      0.1903279403     -1.0581058984
 C     -2.9825504574     -0.6876259019     -1.8811323929
 C     -2.3442170462     -1.7150770751     -2.4812916106
 C     -1.3536342510     -2.3779640629     -2.7557485787
 C     -0.1022095795     -2.8661662505     -2.7929057318
 C      1.0782531365     -3.0712431402     -2.5136345890
 C      2.1118839781     -2.7603778033     -1.6557778586
 C      2.6470297720     -2.0309909385     -0.8626320189
 C      2.9525465649     -1.1337787800      0.1016736066
 C      3.1187220776     -0.3739059572      1.0265563877
 C      2.9666294452      0.6237725634      1.9051391095
 C      2.3988166969      1.5034724043      2.5434057952
18
# ORCA AIMD Position Step 688, t=688.00 fs, E_Pot=-685.23574471 Hartree, Unit is Angstrom
 C      1.4299101216      2.3784897292      2.8572813011
 C      0.2771068813      2.8019022383      2.7354044072
 C     -0.9725189933      2.7732225849      2.2506093557
 C     -1.9668742265      2.5568485462      1.5774022736
 C     -2.7878069904      1.8309438754      0.7695423740
 C     -3.2047398742      1.1330950567     -0.1433699292
 C     -3.2195422455      0.1845888399     -1.0568275408
 C     -2.9784225983     -0.6797668767     -1.8792052600
 C     -2.3456305862     -1.7079140496     -2.4882239802
 C     -1.3487737795     -2.3782515431     -2.7629076112
 C     -0.1032698923     -2.8667315980     -2.7898156775
 C      1.0669347952     -3.0689965536     -2.5228457776
 C      2.1125846033     -2.7579152643     -1.6592082195
 C      2.6505913729     -2.0338010061     -0.8678078596
 C      2.9488701721     -1.1274335370      0.1041458223
 C      3.1158393267     -0.3826910179      1.0266107358
 C      2.9652049839      0.6140978104      1.9135475850
 C      2.3953910710      1.4992172939      2.5482148827
18
# ORCA AIMD Position Step 689, t=689.00 fs, E_Pot=-685.23370040 Hartree, Unit is Angstrom
 C      1.4281493814      2.3771616733      2.8622777617
 C      0.2808365009      2.8024444817      2.7379845585
 C     -0.9662117539      2.7782687603      2.2495651273
 C     -1.9643564866      2.5572145524      1.5821794703
 C     -2.7874390397      1.8315766071      0.7664549607
 C     -3.2100184330      1.1324880470     -0.1411182965
 C     -3.2148541926      0.1779869023     -1.0566656399
 C     -2.9744315115     -0.6722258579     -1.8771762760
 C     -2.3458787940     -1.7010215400     -2.4952971911
 C     -1.3451738316     -2.3779447770     -2.7701315434
 C     -0.1041402372     -2.8676573073     -2.7868124670
 C      1.0563460180     -3.0664337818     -2.5310587061
 C      2.1118571934     -2.7560686582     -1.6643570439
 C      2.6548165482     -2.0357293934     -0.8717928454
 C      2.9453585046     -1.1227205914      0.1053559672
 C      3.1132070517     -0.3905418884      1.0273830460
 C      2.9631295243      0.6052726807      1.9227924412
 C      2.3928043870      1.4943241736      2.5524097946
18
# ORCA AIMD Position Step 690, t=690.00 fs, E_Pot=-685.23206569 Hartree, Unit is Angstrom
 C      1.4253119913      2.3760681196      2.8672345658
 C      0.2856259718      2.8026096509      2.7407546178
 C     -0.9604453237      2.7836789376      2.2482975562
 C     -1.9620621755      2.5569264522      1.5869440837
 C     -2.7868295757      1.8327631692      0.7633260036
 C     -3.2149742426      1.1327667818     -0.1376809516
 C     -3.2106438208      0.1712752568     -1.0569392542
 C     -2.9703743861     -0.6656508565     -1.8756383804
 C     -2.3445341130     -1.6946753287     -2.5026297445
 C     -1.3434978383     -2.3766421097     -2.7772856149
 C     -0.1055376080     -2.8688586957     -2.7841458911
 C      1.0475764442     -3.0636675827     -2.5379186629
 C      2.1096236511     -2.7547954309     -1.6712544941
 C      2.6596285328     -2.0367499136     -0.8746133589
 C      2.9419161554     -1.1201685976      0.1046960664
 C      3.1108829766     -0.3969749322      1.0294650307
 C      2.9603593128      0.5972922110      1.9328569871
 C      2.3910938945      1.4886999833      2.5559690808
18
# ORCA AIMD Position Step 691, t=691.00 fs, E_Pot=-685.23166962 Hartree, Unit is Angstrom
 C      1.4218682303      2.3749963073      2.8721688378
 C      0.2911251853      2.8025460331      2.7436872519
 C     -0.9553722129      2.7894145152      2.2467341521
 C     -1.9599501092      2.5559750588      1.5916673828
 C     -2.7858812723      1.8346120280      0.7603261863
 C     -3.2196227903      1.1336945956     -0.1332892199
 C     -3.2070937470      0.1652439206     -1.0569182123
 C     -2.9660485126     -0.6606765021     -1.8751850820
 C     -2.3413896971     -1.6890000981     -2.5102737650
 C     -1.3441123784     -2.3741208466     -2.7842959755
 C     -0.1081208469     -2.8702500046     -2.7820274248
 C      1.0414945573     -3.0608038055     -2.5431761962
 C      2.1060197182     -2.7538680825     -1.6796742448
 C      2.6647991098     -2.0370779051     -0.8765645006
 C      2.9385243445     -1.1199798163      0.1019383509
 C      3.1088821075     -0.4017629103      1.0331503159
 C      2.9569314167      0.5900213843      1.9436218478
 C      2.3901544781      1.4824459783      2.5589910766
18
# ORCA AIMD Position Step 692, t=692.00 fs, E_Pot=-685.23263893 Hartree, Unit is Angstrom
 C      1.4184411492      2.3736533499      2.8770905263
 C      0.2968119328      2.8024449150      2.7467135717
 C     -0.9510786180      2.7954318717      2.2448417055
 C     -1.9579768272      2.5543699219      1.5963203702
 C     -2.7845000644      1.8372418390      0.7576512349
 C     -3.2239909647      1.1349848682     -0.1282383951
 C     -3.2043566326      0.1605588700     -1.0559846555
 C     -2.9613004555     -0.6577917739     -1.8762820616
 C     -2.3364948481     -1.6839561622     -2.5181983607
 C     -1.3470456508     -2.3703719993     -2.7911512770
 C     -0.1123177862     -2.8717689738     -2.7805989557
 C      1.0385803542     -3.0579187485     -2.5467186804
 C      2.1013645686     -2.7529276309     -1.6891762861
 C      2.6699847444     -2.0371110143     -0.8781437392
 C      2.9352517853     -1.1219892716      0.0973021210
 C      3.1071683647     -0.4049843568      1.0383505566
 C      2.9529628745      0.5832196850      1.9548666287
 C      2.3897585658      1.4758468635      2.5616784919
18
# ORCA AIMD Position Step 693, t=693.00 fs, E_Pot=-685.23432792 Hartree, Unit is Angstrom
 C      1.4157088357      2.3717168730      2.8820014532
 C      0.3020722557      2.8025154123      2.7497338262
 C     -0.9475747253      2.8016827485      2.2426341487
 C     -1.9561142356      2.5521368837      1.6008618245
 C     -2.7826085907      1.8407563196      0.7554940352
 C     -3.2281046728      1.1363554625     -0.1228316937
 C     -3.2025139212      0.1576050385     -1.0537896312
 C     -2.9560749711     -0.6571999323     -1.8791309972
 C     -2.3301657857     -1.6793382762     -2.5262898506
 C     -1.3519762509     -2.3656138409     -2.7979074472
 C     -0.1181891346     -2.8733962933     -2.7799084490
 C      1.0387975171     -3.0550443410     -2.5485964960
 C      2.0961034650     -2.7515614265     -1.6991870740
 C      2.6747919322     -2.0373344234     -0.8799460818
 C      2.9322398376     -1.1257109801      0.0914045127
 C      3.1056595677     -0.4069956478      1.0446215426
 C      2.9486371176      0.5765707202      1.9662921109
 C      2.3895964375      1.4693238613      2.5643088926
18
# ORCA AIMD Position Step 694, t=694.00 fs, E_Pot=-685.23572571 Hartree, Unit is Angstrom
 C      1.4142663811      2.3689018860      2.8868984550
 C      0.3063281786      2.8029456178      2.7526394368
 C     -0.9447946554      2.8081216293      2.2401694235
 C     -1.9543561336      2.5493151072      1.6052392115
 C     -2.7801628145      1.8452178934      0.7540062746
 C     -3.2319784526      1.1375773467     -0.1173239676
 C     -3.2015450691      0.1563941562     -1.0503434898
 C     -2.9504409043     -0.6587355059     -1.8835897432
 C     -2.3229561375     -1.6747898933     -2.5343713592
 C     -1.3582679963     -2.3602756728     -2.8046884478
 C     -0.1254046111     -2.8751579031     -2.7799083615
 C      1.0415815170     -3.0521680007     -2.5490247919
 C      2.0907326237     -2.7493839773     -1.7091071821
 C      2.6788583625     -2.0382109722     -0.8825404326
 C      2.9296646617     -1.1304691346      0.0851013398
 C      3.1042455917     -0.4083316981      1.0512903750
 C      2.9441709631      0.5697228140      1.9775691705
 C      2.3893343059      1.4633491547      2.5671908736
18
# ORCA AIMD Position Step 695, t=695.00 fs, E_Pot=-685.23612108 Hartree, Unit is Angstrom
 C      1.4144860011      2.3650258535      2.8917738124
 C      0.3091738537      2.8038602535      2.7553392350
 C     -0.9426115071      2.8147126304      2.2375377141
 C     -1.9527163932      2.5459550128      1.6093963556
 C     -2.7771640193      1.8506260339      0.7532663293
 C     -3.2356074120      1.1385072675     -0.1118829180
 C     -3.2013305640      0.1565904302     -1.0459927156
 C     -2.9445847176     -0.6618886432     -1.8891923692
 C     -2.3155813913     -1.6698476021     -2.5422351630
 C     -1.3650588083     -2.3549440145     -2.8116809731
 C     -0.1333396433     -2.8771132312     -2.7804784994
 C      1.0459682919     -3.0492488189     -2.5483469135
 C      2.0857224983     -2.7460978484     -1.7184081862
 C      2.6819215547     -2.0400821052     -0.8863568892
 C      2.9276949454     -1.1355637222      0.0792816893
 C      3.1028107379     -0.4095786148      1.0576240812
 C      2.9397700985      0.5623452163      1.9883978038
 C      2.3886843026      1.4583415691      2.5706073476
18
# ORCA AIMD Position Step 696, t=696.00 fs, E_Pot=-685.23552152 Hartree, Unit is Angstrom
 C      1.4164208780      2.3600571216      2.8966141765
 C      0.3104742512      2.8052894274      2.7577790268
 C     -0.9408673078      2.8214300778      2.2348447812
 C     -1.9512196857      2.5421172005      1.6132834223
 C     -2.7736671723      1.8569057989      0.7532611052
 C     -3.2389592663      1.1390987704     -0.1065736416
 C     -3.2016820878      0.1576298683     -1.0413040943
 C     -2.9387767329     -0.6659191124     -1.8952588267
 C     -2.3087998543     -1.6640189268     -2.5496794067
 C     -1.3714067514     -2.3502699883     -2.8191068082
 C     -0.1412326652     -2.8793354001     -2.7814620648
 C      1.0508032053     -3.0462425342     -2.5469780867
 C      2.0814598406     -2.7415280885     -1.7266971076
 C      2.6838587909     -2.0431017649     -0.8916093436
 C      2.9264587858     -1.1404123007      0.0746931308
 C      3.1012527820     -0.4112628787      1.0629712334
 C      2.9355833490      0.5541928521      1.9985576463
 C      2.3874707903      1.4545688920      2.5747582339
18
# ORCA AIMD Position Step 697, t=697.00 fs, E_Pot=-685.23453470 Hartree, Unit is Angstrom
 C      1.4197879827      2.3541319326      2.9013979405
 C      0.3103790595      2.8071575128      2.7599474971
 C     -0.9393907829      2.8282573668      2.2322010368
 C     -1.9498888704      2.5378734060      1.6168657458
 C     -2.7697806532      1.8639076771      0.7538855867
 C     -3.2419724707      1.1393794090     -0.1013793268
 C     -3.2023886859      0.1588907246     -1.0369011643
 C     -2.9333297875     -0.6699994399     -1.9010335486
 C     -2.3032564108     -1.6568955423     -2.5565564689
 C     -1.3764584181     -2.3468568421     -2.8271777265
 C     -0.1483444860     -2.8818860488     -2.7827021102
 C      1.0549510121     -3.0431216146     -2.5453374651
 C      2.0782019290     -2.7356365049     -1.7337604285
 C      2.6847018030     -2.0472016632     -0.8982515012
 C      2.9260273859     -1.1446434293      0.0718237224
 C      3.0994936738     -0.4137773051      1.0668576187
 C      2.9316744591      0.5451556787      2.0079348678
 C      2.3856690858      1.4520835037      2.5797222377
18
# ORCA AIMD Position Step 698, t=698.00 fs, E_Pot=-685.23383323 Hartree, Unit is Angstrom
 C      1.4240202020      2.3475396511      2.9060991061
 C      0.3092764693      2.8093003942      2.7618728290
 C     -0.9380262542      2.8351790420      2.2297071332
 C     -1.9487278257      2.5333118189      1.6201342006
 C     -2.7656614181      1.8714156599      0.7549559381
 C     -3.2445594906      1.1394240128     -0.0962320602
 C     -3.2032549964      0.1598307556     -1.0333286630
 C     -2.9285590936     -0.6733417516     -1.9058069437
 C     -2.2993255420     -1.6482738474     -2.5628160494
 C     -1.3796340129     -2.3451270715     -2.8360429822
 C     -0.1540595332     -2.8848056877     -2.7840660188
 C      1.0574569695     -3.0398845502     -2.5437937139
 C      2.0760468185     -2.7285244314     -1.7395824096
 C      2.6846301888     -2.0520943451     -0.9059750948
 C      2.9264135171     -1.1481231590      0.0708663896
 C      3.0974818303     -0.4173487409      1.0690225620
 C      2.9280121603      0.5352812429      2.0165250116
 C      2.3834213504      1.4506968669      2.5854392705
18
# ORCA AIMD Position Step 699, t=699.00 fs, E_Pot=-685.23365613 Hartree, Unit is Angstrom
 C      1.4283722483      2.3406822589      2.9106928450
 C      0.3076938595      2.8114985176      2.7636111024
 C     -0.9366534200      2.8421726619      2.2274441307
 C     -1.9477048354      2.5285422419      1.6231130362
 C     -2.7615042354      1.8791624509      0.7562321565
 C     -3.2466161452      1.1393197309     -0.0910526568
 C     -3.2041296781      0.1600814087     -1.0309618270
 C     -2.9247495421     -0.6752853975     -1.9089963160
 C     -2.2970071578     -1.6382443119     -2.5685345255
 C     -1.3807525518     -2.3452242727     -2.8457448063
 C     -0.1579467962     -2.8881069953     -2.7854633394
 C      1.0576541428     -3.0365546279     -2.5426192179
 C      2.0749160142     -2.7204293664     -1.7443527718
 C      2.6839534733     -2.0573047777     -0.9142397836
 C      2.9275789249     -1.1509377160      0.0717341846
 C      3.0951900141     -0.4220319692      1.0694240589
 C      2.9244866774      0.5247633295      2.0244095051
 C      2.3810163687      1.4500040688      2.5917234677
18
# ORCA AIMD Position Step 700, t=700.00 fs, E_Pot=-685.23379013 Hartree, Unit is Angstrom
 C      1.4320479055      2.3340133908      2.9151628397
 C      0.3061884129      2.8135193277      2.7652276034
 C     -0.9351990310      2.8492029799      2.2254678512
 C     -1.9467430329      2.5236986655      1.6258662982
 C     -2.7575284831      1.8868501272      0.7574416958
 C     -3.2480327585      1.1391377657     -0.0857822823
 C     -3.2049196944      0.1594944936     -1.0299548117
 C     -2.9221254258     -0.6753584587     -1.9102023064
 C     -2.2959233668     -1.6272011981     -2.5739129790
 C     -1.3800552556     -2.3469807878     -2.8562035422
 C     -0.1597923415     -2.8917748011     -2.7868519223
 C      1.0552231237     -3.0331711301     -2.5419645129
 C      2.0745585521     -2.7117050488     -1.7484467995
 C      2.6830754393     -2.0622335365     -0.9223417120
 C      2.9294469772     -1.1533487864      0.0741071343
 C      3.0926134392     -0.4277185815      1.0682283606
 C      2.9209409450      0.5138931714      2.0317162081
 C      2.3788385812      1.4494535011      2.5983020238
18
# ORCA AIMD Position Step 701, t=701.00 fs, E_Pot=-685.23389348 Hartree, Unit is Angstrom
 C      1.4343278362      2.3279659958      2.9195037713
 C      0.3052478051      2.8151584749      2.7667839769
 C     -0.9336452220      2.8562195121      2.2238021093
 C     -1.9457100325      2.5189393304      1.6285023299
 C     -2.7539585691      1.8941768810      0.7583075306
 C     -3.2487131528      1.1389198894     -0.0803989923
 C     -3.2055980455      0.1581505267     -1.0302275283
 C     -2.9208177946     -0.6733286756     -1.9092554311
 C     -2.2954020914     -1.6157694248     -2.5792376583
 C     -1.3781288110     -2.3499592015     -2.8672336470
 C     -0.1596440673     -2.8957648351     -2.7882474289
 C      1.0502208953     -3.0297825151     -2.5418506148
 C      2.0746011601     -2.7027684759     -1.7523578799
 C      2.6824353793     -2.0662557849     -0.9295279576
 C      2.9319136571     -1.1557396968      0.0774935755
 C      3.0897712131     -0.4341530280      1.0657897300
 C      2.9171997977      0.5030017032      2.0385870703
 C      2.3773010993      1.4484361242      2.6048660446
18
# ORCA AIMD Position Step 702, t=702.00 fs, E_Pot=-685.23390398 Hartree, Unit is Angstrom
 C      1.4346766848      2.3228839120      2.9237175467
 C      0.3052296776      2.8162636323      2.7683299014
 C     -0.9320277169      2.8631625421      2.2224399026
 C     -1.9444331145      2.5144323870      1.6311585406
 C     -2.7510028738      1.9008657447      0.7585749444
 C     -3.2485797129      1.1386708808     -0.0749197594
 C     -3.2062041113      0.1563372106     -1.0314864000
 C     -2.9208412839     -0.6692249232     -1.9062262308
 C     -2.2946633637     -1.6046493791     -2.5848177260
 C     -1.3757398814     -2.3535731476     -2.8785881659
 C     -0.1578028730     -2.9000081421     -2.7897280545
 C      1.0430499919     -3.0264405042     -2.5421769895
 C      2.0746293969     -2.6940257039     -1.7566031280
 C      2.6824336004     -2.0688231289     -0.9351210699
 C      2.9348657108     -1.1585498995      0.0813108003
 C      3.0866997650     -0.4409769741      1.0626022461
 C      2.9131084911      0.4923924105      2.0451399232
 C      2.3767597103      1.4463967738      2.6111331348
18
# ORCA AIMD Position Step 703, t=703.00 fs, E_Pot=-685.23398456 Hartree, Unit is Angstrom
 C      1.4328194994      2.3189637988      2.9278048149
 C      0.3063224004      2.8167516988      2.7698954320
 C     -0.9304212949      2.8699672025      2.2213524080
 C     -1.9427219593      2.5103440227      1.6339818336
 C     -2.7488310030      1.9066904881      0.7580436491
 C     -3.2475858515      1.1383650022     -0.0693995887
 C     -3.2068370176      0.1545081099     -1.0332621292
 C     -2.9220790389     -0.6633507852     -1.9014357303
 C     -2.2929835750     -1.5944728579     -2.5909113696
 C     -1.3736647345     -2.3572057153     -2.8900043395
 C     -0.1548301180     -2.9044116277     -2.7914323222
 C      1.0344104628     -3.0231993690     -2.5427494935
 C      2.0742948855     -2.6857878454     -1.7615941624
 C      2.6833494651     -2.0695650815     -0.9386529920
 C      2.9381974773     -1.1622076289      0.0849707822
 C      3.0834454284     -0.4477810788      1.0592354009
 C      2.9085540179      0.4822981634      2.0514469278
 C      2.3774458917      1.4429240103      2.6168919803
18
# ORCA AIMD Position Step 704, t=704.00 fs, E_Pot=-685.23427842 Hartree, Unit is Angstrom
 C      1.4287893968      2.3162177515      2.9317583365
 C      0.3085215856      2.8166192959      2.7714842133
 C     -0.9289140237      2.8765695063      2.2205036582
 C     -1.9404060880      2.5068188110      1.6370965745
 C     -2.7475491098      1.9115018714      0.7565990757
 C     -3.2457232762      1.1379502775     -0.0639261985
 C     -3.2076425644      0.1532295141     -1.0349608164
 C     -2.9242838637     -0.6562649160     -1.8954380337
 C     -2.2898254074     -1.5856924412     -2.5976690670
 C     -1.3725514739     -2.3603145565     -2.9012385151
 C     -0.1515151532     -2.9088603094     -2.7935531852
 C      1.0252163425     -3.0201160215     -2.5433136772
 C      2.0734096019     -2.6782012821     -1.7675265178
 C      2.6852727594     -2.0683638303     -0.9399658740
 C      2.9418253424     -1.1670577876      0.0879738541
 C      3.0800587671     -0.4541686075      1.0562501755
 C      2.9034819414      0.4728517470      2.0575163324
 C      2.3794175537      1.4378170613      2.6220336247
18
# ORCA AIMD Position Step 705, t=705.00 fs, E_Pot=-685.23473039 Hartree, Unit is Angstrom
 C      1.4229397738      2.3144613220      2.9355627167
 C      0.3116166258      2.8159486419      2.7730667757
 C     -0.9275737132      2.8829130058      2.2198704441
 C     -1.9373785097      2.5039579492      1.6405659068
 C     -2.7471767643      1.9152538084      0.7542477393
 C     -3.2430271193      1.1373481724     -0.0586221032
 C     -3.2087938257      0.1531095644     -1.0359359037
 C     -2.9271051467     -0.6487145429     -1.8889612867
 C     -2.2849112382     -1.5785188775     -2.6051062237
 C     -1.3728270350     -2.3625067937     -2.9120931948
 C     -0.1487922070     -2.9132269951     -2.7963167699
 C      1.0164773985     -3.0172461796     -2.5435945257
 C      2.0719950946     -2.6712204517     -1.7743227519
 C      2.6880771215     -2.0653757193     -0.9392518075
 C      2.9456999711     -1.1732976699      0.0899934404
 C      3.0765845571     -0.4598220703      1.0541136866
 C      2.8979041956      0.4640697483      2.0632855773
 C      2.3825420982      1.4311169253      2.6265663611
18
# ORCA AIMD Position Step 706, t=706.00 fs, E_Pot=-685.23517411 Hartree, Unit is Angstrom
 C      1.4159074753      2.3133360229      2.9392000672
 C      0.3152117170      2.8149033411      2.7745826451
 C     -0.9264271274      2.8889564036      2.2194527559
 C     -1.9336305382      2.5018019369      1.6443672353
 C     -2.7476317229      1.9180164095      0.7511322818
 C     -3.2395787298      1.1364652690     -0.0536302997
 C     -3.2104572753      0.1546881375     -1.0356002775
 C     -2.9301390938     -0.6415122737     -1.8827947415
 C     -2.2782438411     -1.5729097264     -2.6131004008
 C     -1.3746639998     -2.3635761186     -2.9224337395
 C     -0.1475868420     -2.9173902909     -2.7999498504
 C      1.0091310584     -3.0146369338     -2.5433471633
 C      2.0702751376     -2.6646309796     -1.7816507286
 C      2.6914483560     -2.0610003513     -0.9370213508
 C      2.9498119342     -1.1809266163      0.0909484622
 C      3.0730548123     -0.4645630255      1.0531170311
 C      2.8918956562      0.4558586332      2.0686309985
 C      2.3865161513      1.4230923463      2.6306101286
18
# ORCA AIMD Position Step 707, t=707.00 fs, E_Pot=-685.23549708 Hartree, Unit is Angstrom
 C      1.4085357085      2.3123581099      2.9426595008
 C      0.3187589827      2.8137156178      2.7759422170
 C     -0.9254341891      2.8946808650      2.2192873176
 C     -1.9292714075      2.5003248260      1.6483796814
 C     -2.7487326659      1.9199749386      0.7475313522
 C     -3.2355007015      1.1351936927     -0.0491113317
 C     -3.2127538913      0.1583264304     -1.0335437450
 C     -2.9329967784     -0.6353821757     -1.8776398936
 C     -2.2700960302     -1.5685874586     -2.6214153718
 C     -1.3779718817     -2.3635221965     -2.9322040653
 C     -0.1486271334     -2.9212552047     -2.8046343061
 C      1.0038600425     -3.0123154327     -2.5424018593
 C      2.0686053082     -2.6581171690     -1.7890142382
 C      2.6949591611     -2.0557931219     -0.9339952086
 C      2.9541914748     -1.1897349207      0.0910218252
 C      3.0694859431     -0.4683780684      1.0533424606
 C      2.8855863898      0.4480201642      2.0733763474
 C      2.3909113713      1.4141936969      2.6343775783
18
# ORCA AIMD Position Step 708, t=708.00 fs, E_Pot=-685.23564116 Hartree, Unit is Angstrom
 C      1.4017473160      2.3109940284      2.9459409285
 C      0.3216455930      2.8126520991      2.7770420958
 C     -0.9244940142      2.9000905335      2.2194424054
 C     -1.9245160184      2.4994415847      1.6523978199
 C     -2.7502198836      1.9214060844      0.7438284606
 C     -3.2309453800      1.1334351966     -0.0452149192
 C     -3.2157232914      0.1640928798     -1.0296553024
 C     -2.9353711938     -0.6308118511     -1.8739651752
 C     -2.2609615790     -1.5650869010     -2.6297347065
 C     -1.3824331894     -2.3625366871     -2.9414269721
 C     -0.1522552900     -2.9247690365     -2.8104620764
 C      1.0009226163     -3.0102810781     -2.5407061364
 C      2.0673866881     -2.6513432994     -1.7958687322
 C      2.6981573755     -2.0503638283     -0.9309729827
 C      2.9588995313     -1.1993311222      0.0906287275
 C      3.0658820103     -0.4714140218      1.0546706746
 C      2.8791398510      0.4402923739      2.0773215732
 C      2.3952419201      1.4049738048      2.6381365297
18
# ORCA AIMD Position Step 709, t=709.00 fs, E_Pot=-685.23549658 Hartree, Unit is Angstrom
 C      1.3963871403      2.3087497461      2.9490499432
 C      0.3233290511      2.8119600707      2.7777938922
 C     -0.9234739459      2.9052113433      2.2200003491
 C     -1.9196594281      2.4990241546      1.6561599479
 C     -2.7517876859      1.9226371847      0.7404615406
 C     -3.2260783839      1.1311316621     -0.0420449230
 C     -3.2192977667      0.1716945607     -1.0241989417
 C     -2.9370811853     -0.6279609365     -1.8719100188
 C     -2.2514981514     -1.5618058896     -2.6376936839
 C     -1.3875689824     -2.3609671230     -2.9502013926
 C     -0.1583232273     -2.9279321491     -2.8174045388
 C      1.0000886374     -3.0085044977     -2.5383436502
 C      2.0669700078     -2.6440288806     -1.8017385187
 C      2.7006552370     -2.0452735320     -0.9286928787
 C      2.9640124269     -1.2092095222      0.0903347541
 C      3.0622429416     -0.4739416276      1.0568261632
 C      2.8727209373      0.4324074323      2.0802835435
 C      2.3990373609      1.3959935272      2.6421613272
18
# ORCA AIMD Position Step 710, t=710.00 fs, E_Pot=-685.23502437 Hartree, Unit is Angstrom
 C      1.3930604335      2.3052594339      2.9519863897
 C      0.3234763882      2.8118056650      2.7781471107
 C     -0.9222423192      2.9100803072      2.2210428950
 C     -1.9150250934      2.4989304319      1.6593884906
 C     -2.7531340319      1.9239921906      0.7378596781
 C     -3.2210532548      1.1282912634     -0.0396295829
 C     -3.2233108296      0.1805053634     -1.0177858383
 C     -2.9380783243     -0.6266589796     -1.8712889212
 C     -2.2424409729     -1.5580804196     -2.6449211831
 C     -1.3928168596     -2.3592578623     -2.9586798063
 C     -0.1662338312     -2.9307886558     -2.8253160851
 C      1.0007030049     -3.0069315454     -2.5355151879
 C      2.0675852541     -2.6360052000     -1.8063076753
 C      2.7021941856     -2.0409430555     -0.9277070551
 C      2.9696007171     -1.2188482985      0.0907327159
 C      3.0585714300     -0.4762965792      1.0594528167
 C      2.8664653824      0.4241561111      2.0821370828
 C      2.4019054300      1.3877253551      2.6466824782
18
# ORCA AIMD Position Step 711, t=711.00 fs, E_Pot=-685.23432059 Hartree, Unit is Angstrom
 C      1.3920193217      2.3003466210      2.9547293430
 C      0.3220665743      2.8122275544      2.7781139677
 C     -0.9207187487      2.9147302912      2.2226196548
 C     -1.9109056324      2.4990307939      1.6618363982
 C     -2.7540028014      1.9257342572      0.7363744728
 C     -3.2159840931      1.1250250001     -0.0378826679
 C     -3.2275386014      0.1896833513     -1.0112548614
 C     -2.9384187917     -0.6265028535     -1.8716917530
 C     -2.2344752152     -1.5532957833     -2.6510888890
 C     -1.3976602636     -2.3578459527     -2.9670320726
 C     -0.1750968001     -2.9334130858     -2.8339672270
 C      1.0018819627     -3.0054948498     -2.5324874183
 C      2.0693000471     -2.6272289494     -1.8094538929
 C      2.7026664347     -2.0376163400     -0.9283292477
 C      2.9757124496     -1.2278044912      0.0923236907
 C      3.0548819481     -0.4788123417      1.0621997077
 C      2.8604446990      0.4154573002      2.0828571604
 C      2.4035863991      1.3804680698      2.6518402682
18
# ORCA AIMD Position Step 712, t=712.00 fs, E_Pot=-685.23360095 Hartree, Unit is Angstrom
 C      1.3931265577      2.2940494819      2.9572334899
 C      0.3194297500      2.8131142176      2.7777761385
 C     -0.9189057891      2.9191805555      2.2247343800
 C     -1.9075198360      2.4992317954      1.6633187804
 C     -2.7542129086      1.9280289892      0.7362423297
 C     -3.2109342047      1.1215444246     -0.0366094325
 C     -3.2317388310      0.1983071618     -1.0055297489
 C     -2.9382205976     -0.6269717929     -1.8726024670
 C     -2.2281418796     -1.5469746064     -2.6559465138
 C     -1.4017192430     -2.3570727994     -2.9754053635
 C     -0.1839026472     -2.9358895823     -2.8430860584
 C      1.0027007060     -3.0041187329     -2.5295354511
 C      2.0719856698     -2.6178078421     -1.8112910499
 C      2.7021405796     -2.0353086576     -0.9305624934
 C      2.9823602090     -1.2357886817      0.0954200794
 C      3.0511993101     -0.4817742624      1.0647754962
 C      2.8546582272      0.4063885148      2.0825351889
 C      2.4039672046      1.3743045995      2.6576585632
18
# ORCA AIMD Position Step 713, t=713.00 fs, E_Pot=-685.23300732 Hartree, Unit is Angstrom
 C      1.3959134194      2.2865969020      2.9594324081
 C      0.3161823816      2.8142265627      2.7772757685
 C     -0.9169044539      2.9234277232      2.2273335606
 C     -1.9049786766      2.4994910332      1.6637406342
 C     -2.7536734708      1.9309237480      0.7375574595
 C     -3.2059134852      1.1181379693     -0.0355299492
 C     -3.2356909135      0.2055320263     -1.0014610960
 C     -2.9376248203     -0.6275483002     -1.8735200354
 C     -2.2237383348     -1.5388752164     -2.6593603246
 C     -1.4048391030     -2.3570935975     -2.9838825730
 C     -0.1916993307     -2.9382946660     -2.8524017851
 C      1.0023752667     -3.0027223965     -2.5268913718
 C      2.0753181315     -2.6079909599     -1.8121598488
 C      2.7008528074     -2.0338153866     -0.9340997652
 C      2.9895139235     -1.2427057783      0.1000924910
 C      3.0475591000     -0.4853806128      1.0669920646
 C      2.8490343747      0.3971876964      2.0813773435
 C      2.4030802965      1.3690989932      2.6640398405
18
# ORCA AIMD Position Step 714, t=714.00 fs, E_Pot=-685.23255795 Hartree, Unit is Angstrom
 C      1.3997012110      2.2783513510      2.9612542225
 C      0.3130962903      2.8152506108      2.7767895440
 C     -0.9149044249      2.9274409991      2.2303098961
 C     -1.9032703630      2.4998263865      1.6631081227
 C     -2.7523859466      1.9343475113      0.7402723558
 C     -3.2008870580      1.1151211758     -0.0343361102
 C     -3.2392243663      0.2107164779     -0.9996922217
 C     -2.9367649277     -0.6278043240     -1.8740456956
 C     -2.2212677758     -1.5290490162     -2.6613369390
 C     -1.4071237099     -2.3578276354     -2.9924540345
 C     -0.1977195620     -2.9406827804     -2.8616798795
 C      1.0003708058     -3.0012236889     -2.5247106421
 C      2.0788096252     -2.5981437376     -1.8125891398
 C      2.6991767166     -2.0327516950     -0.9383712421
 C      2.9971033543     -1.2486539601      0.1061636918
 C      3.0440046539     -0.4897207369      1.0687900930
 C      2.8434505217      0.3882138519      2.0796769501
 C      2.4010784809      1.3645350688      2.6707839006
18
# ORCA AIMD Position Step 715, t=715.00 fs, E_Pot=-685.23223851 Hartree, Unit is Angstrom
 C      1.4037399171      2.2697397166      2.9626385481
 C      0.3109459945      2.8158578977      2.7764942637
 C     -0.9131512422      2.9311643243      2.2335193581
 C     -1.9022629166      2.5003152746      1.6615280572
 C     -2.7504355866      1.9381280049      0.7442147291
 C     -3.1957928765      1.1127737105     -0.0327597913
 C     -3.2422315017      0.2135071002     -1.0005685493
 C     -2.9357490133     -0.6274478521     -1.8739289235
 C     -2.2204535342     -1.5178358046     -2.6620228423
 C     -1.4088999337     -2.3589702096     -3.0010140826
 C     -0.2014607786     -2.9430753714     -2.8707450342
 C      0.9964434556     -2.9995428236     -2.5230601518
 C      2.0818747657     -2.5886968482     -1.8132174450
 C      2.6975654760     -2.0316311894     -0.9426473293
 C      3.0050291341     -1.2538920936      0.1132484219
 C      3.0405820059     -0.4947672003      1.0702453410
 C      2.8377612346      0.3798821955      2.0777699615
 C      2.3981970511      1.3601830291      2.6776252083
18
# ORCA AIMD Position Step 716, t=716.00 fs, E_Pot=-685.23213699 Hartree, Unit is Angstrom
 C      1.4073254107      2.2611895591      2.9635498807
 C      0.3103793540      2.8157593534      2.7765378083
 C     -0.9119008501      2.9345229497      2.2368021791
 C     -1.9017213581      2.5010877717      1.6592004382
 C     -2.7479780509      1.9420178438      0.7491110174
 C     -3.1905609364      1.1112874735     -0.0306271771
 C     -3.2446697652      0.2138756641     -1.0040967198
 C     -2.9346528664     -0.6263394229     -1.8730821787
 C     -2.2208043472     -1.5058033410     -2.6616819391
 C     -1.4106288941     -2.3600619384     -3.0093786444
 C     -0.2027323500     -2.9454503641     -2.8794961221
 C      0.9906353250     -2.9976104468     -2.5219239899
 C      2.0839330161     -2.5800684642     -1.8146703760
 C      2.6964645518     -2.0299737225     -0.9461918844
 C      3.0131787208     -1.2587788096      0.1208275093
 C      3.0373352218     -0.5003874862      1.0715550250
 C      2.8318282001      0.3725903602      2.0759822690
 C      2.3947109376      1.3555758706      2.6842783967
18
# ORCA AIMD Position Step 717, t=717.00 fs, E_Pot=-685.23238390 Hartree, Unit is Angstrom
 C      1.4098864093      2.2530778362      2.9639843146
 C      0.3118212276      2.8147430953      2.7770123337
 C     -0.9113620032      2.9374338609      2.2400146098
 C     -1.9013403117      2.5023118108      1.6563946741
 C     -2.7452219069      1.9457250584      0.7546205880
 C     -3.1851320322      1.1107335453     -0.0278968589
 C     -3.2465581789      0.2121136352     -1.0099460457
 C     -2.9335129432     -0.6244918489     -1.8715773806
 C     -2.2217230517     -1.4936456493     -2.6606516451
 C     -1.4127837502     -2.3605887921     -3.0173194580
 C     -0.2016706223     -2.9477427196     -2.8879147142
 C      0.9832432080     -2.9953682415     -2.5212114091
 C      2.0845210454     -2.5725802490     -1.8174242099
 C      2.6962123320     -2.0274174577     -0.9484283866
 C      3.0214436416     -1.2637071535      0.1283335145
 C      3.0343014121     -0.5063688694      1.0730044825
 C      2.8255477666      0.3666540511      2.0745838386
 C      2.3908908482      1.3502868819      2.6904823369
18
# ORCA AIMD Position Step 718, t=718.00 fs, E_Pot=-685.23294109 Hartree, Unit is Angstrom
 C      1.4110413351      2.2456906150      2.9639701406
 C      0.3154221112      2.8126976141      2.7779405180
 C     -0.9116496945      2.9398171036      2.2430547313
 C     -1.9007829152      2.5041745263      1.6534219129
 C     -2.7424101853      1.9489420773      0.7603669731
 C     -3.1794704303      1.1110625694     -0.0246605111
 C     -3.2479729733      0.2087903949     -1.0174883372
 C     -2.9323232711     -0.6220627643     -1.8696368694
 C     -2.2226045785     -1.4820824769     -2.6592963221
 C     -1.4157444527     -2.3600777137     -3.0246000043
 C     -0.1987321407     -2.9498464398     -2.8960657781
 C      0.9747740056     -2.9927736431     -2.5207718747
 C      2.0833958338     -2.5663816774     -1.8216791152
 C      2.6969513143     -2.0238116863     -0.9490880883
 C      3.0297316461     -1.2690307862      0.1352461434
 C      3.0315082975     -0.5124625029      1.0749125713
 C      2.8188696143      0.3622617704      2.0737542681
 C      2.3869643290      1.3439936223      2.6960353939
18
# ORCA AIMD Position Step 719, t=719.00 fs, E_Pot=-685.23348026 Hartree, Unit is Angstrom
 C      1.4106349404      2.2391930151      2.9635632889
 C      0.3210470787      2.8096226322      2.7792763404
 C     -0.9127654152      2.9416076182      2.2458726436
 C     -1.8997261118      2.5068546252      1.6505972782
 C     -2.7397900946      1.9513811881      0.7659786712
 C     -3.1735688003      1.1121391908     -0.0211002865
 C     -3.2490404468      0.2046687293     -1.0258913249
 C     -2.9310351957     -0.6193384868     -1.8676108193
 C     -2.2229169769     -1.4717666295     -2.6579640496
 C     -1.4197365796     -2.3581697524     -3.0310080997
 C     -0.1946436206     -2.9516226311     -2.9040886176
 C      0.9658846401     -2.9898042653     -2.5204172182
 C      2.0805919849     -2.5614088962     -1.8272903808
 C      2.6985807302     -2.0192624770     -0.9482900062
 C      3.0379752658     -1.2749917858      0.1411883602
 C      3.0289742061     -0.5184447592      1.0775561380
 C      2.8118054540      0.3594478503      2.0735652424
 C      2.3830859701      1.3365247855      2.7008242616
18
# ORCA AIMD Position Step 720, t=720.00 fs, E_Pot=-685.23357346 Hartree, Unit is Angstrom
 C      1.4087577943      2.2336032244      2.9628416218
 C      0.3282902212      2.8056321485      2.7809117123
 C     -0.9145808841      2.9427685909      2.2484844369
 C     -1.8979139495      2.5104957333      1.6481943346
 C     -2.7375808693      1.9528101251      0.7711345398
 C     -3.1674512508      1.1137666991     -0.0174591886
 C     -3.2499200896      0.2006007466     -1.0342292414
 C     -2.9295627820     -0.6166904724     -1.8659295071
 C     -2.2222661362     -1.4632047827     -2.6569469583
 C     -1.4247981478     -2.3546668595     -3.0363850134
 C     -0.1903082389     -2.9529176622     -2.9121796690
 C      0.9572970079     -2.9864541278     -2.5199417463
 C      2.0763987309     -2.5574085628     -1.8338067055
 C      2.7007815207     -2.0141017687     -0.9465065564
 C      3.0461363982     -1.2816778112      0.1459889532
 C      3.0267105868     -0.5241720220      1.0811073510
 C      2.8044310597      0.3580835389      2.0739753458
 C      2.3793100142      1.3278916112      2.7048442934
18
# ORCA AIMD Position Step 721, t=721.00 fs, E_Pot=-685.23301173 Hartree, Unit is Angstrom
 C      1.4057444452      2.2287839200      2.9619023161
 C      0.3365044455      2.8009519245      2.7826858322
 C     -0.9168352175      2.9432988226      2.2509800221
 C     -1.8952094366      2.5151790862      1.6463942876
 C     -2.7359355681      1.9530883129      0.7756155003
 C     -3.1611705867      1.1157110654     -0.0140127240
 C     -3.2507798248      0.1974060610     -1.0416117115
 C     -2.9277991564     -0.6145059172     -1.8650331341
 C     -2.2204379296     -1.4567054067     -2.6564488198
 C     -1.4307712925     -2.3495538322     -3.0406456111
 C     -0.1866785002     -2.9535789836     -2.9205622910
 C      0.9496877279     -2.9827286954     -2.5191545852
 C      2.0712800518     -2.5540078112     -1.8405854654
 C      2.7030995608     -2.0087986390     -0.9444347509
 C      3.0542021294     -1.2890138601      0.1496987356
 C      3.0247243297     -0.5296091384      1.0856028180
 C      2.7968859187      0.3578739261      2.0748275866
 C      2.3755783796      1.3182953741      2.7082068139
18
# ORCA AIMD Position Step 722, t=722.00 fs, E_Pot=-685.23196411 Hartree, Unit is Angstrom
 C      1.4021403406      2.2244562508      2.9608566317
 C      0.3448677886      2.7959021479      2.7844073045
 C     -0.9191584464      2.9432372535      2.2535156006
 C     -1.8916331838      2.5209018932      1.6452492071
 C     -2.7349096156      1.9521923808      0.7793408409
 C     -3.1548058151      1.1177228863     -0.0110420663
 C     -3.2517579391      0.1957456515     -1.0473184984
 C     -2.9256475744     -0.6130992382     -1.8652812723
 C     -2.2174223309     -1.4523462920     -2.6565629283
 C     -1.4373193562     -2.3430026991     -3.0437941971
 C     -0.1845923919     -2.9534717087     -2.9294397803
 C      0.9435668851     -2.9786389534     -2.5179170965
 C      2.0657671334     -2.5508004422     -1.8469331583
 C      2.7050469318     -2.0038543865     -0.9428358978
 C      3.0621754985     -1.2967880776      0.1525587854
 C      3.0230219283     -0.5348354003      1.0909394478
 C      2.7893631638      0.3583838167      2.0758674262
 C      2.3717285354      1.3081074795      2.7111307712
18
# ORCA AIMD Position Step 723, t=723.00 fs, E_Pot=-685.23083873 Hartree, Unit is Angstrom
 C      1.3986164540      2.2202513731      2.9598245785
 C      0.3524784434      2.7908616108      2.7858788265
 C     -0.9211083541      2.9426612420      2.2562968878
 C     -1.8873662506      2.5275754573      1.6446789333
 C     -2.7344566493      1.9502159982      0.7823688927
 C     -3.1484567408      1.1195505246     -0.0088203318
 C     -3.2529217711      0.1960173882     -1.0509071879
 C     -2.9230665433     -0.6126119434     -1.8668503929
 C     -2.2134125290     -1.4499725546     -2.6572710774
 C     -1.4439537115     -2.3353673598     -3.0459301777
 C     -0.1846171386     -2.9524902174     -2.9389407787
 C      0.9391597157     -2.9741995948     -2.5161896104
 C      2.0603701907     -2.5474176713     -1.8522221588
 C      2.7061931907     -1.9997091761     -0.9423862271
 C      3.0700606427     -1.3047047158      0.1549285373
 C      3.0216141287     -0.5400235854      1.0968983475
 C      2.7820928234      0.3590848683      2.0767764416
 C      2.3675293868      1.2978138946      2.7139115831
18
# ORCA AIMD Position Step 724, t=724.00 fs, E_Pot=-685.23003458 Hartree, Unit is Angstrom
 C      1.3958502298      2.2157858155      2.9589258873
 C      0.3584763170      2.7862139959      2.7869225629
 C     -0.9222199577      2.9416765557      2.2595532406
 C     -1.8827301172      2.5350329038      1.6444841571
 C     -2.7344337564      1.9473591996      0.7848838523
 C     -3.1422365880      1.1209585736     -0.0075934875
 C     -3.2542424126      0.1982935036     -1.0522754613
 C     -2.9200975845     -0.6129548178     -1.8696765866
 C     -2.2087932254     -1.4492100849     -2.6584451361
 C     -1.4500616657     -2.3271677285     -3.0472457607
 C     -0.1869541854     -2.9505633749     -2.9490787905
 C      0.9363493943     -2.9694256467     -2.5140568991
 C      2.0555062703     -2.5435819763     -1.8559746972
 C      2.7062329969     -1.9966729262     -0.9435606797
 C      3.0778472705     -1.3124506345      0.1571896433
 C      3.0205179035     -0.5453991059      1.1031917290
 C      2.7753180244      0.3594228812      2.0772180789
 C      2.3627301894      1.2879356766      2.7168727568
18
# ORCA AIMD Position Step 725, t=725.00 fs, E_Pot=-685.22979939 Hartree, Unit is Angstrom
 C      1.3943727959      2.2107585777      2.9582673341
 C      0.3621908042      2.7822773362      2.7874104687
 C     -0.9220720512      2.9403996055      2.2634988586
 C     -1.8781307361      2.5430545858      1.6443905208
 C     -2.7346305379      1.9438942699      0.7871527294
 C     -3.1362596358      1.1217538917     -0.0075560933
 C     -3.2555923551      0.2023236994     -1.0516546300
 C     -2.9168741439     -0.6138062172     -1.8734543453
 C     -2.2041006522     -1.4495107652     -2.6598666916
 C     -1.4549558331     -2.3190488464     -3.0480105410
 C     -0.1914206457     -2.9476580647     -2.9597342649
 C      0.9346966592     -2.9643316906     -2.5117290951
 C      2.0514497079     -2.5391383826     -1.8579138015
 C      2.7050295625     -1.9948833362     -0.9465570338
 C      3.0854969337     -1.3197580924      0.1596547887
 C      3.0197556947     -0.5511952539      1.1095100677
 C      2.7692607485      0.3589057169      2.0769004033
 C      2.3571258579      1.2789263088      2.7202996388
18
# ORCA AIMD Position Step 726, t=726.00 fs, E_Pot=-685.23014755 Hartree, Unit is Angstrom
 C      1.3944261584      2.2050445542      2.9579272432
 C      0.3632802763      2.7792310680      2.7872927457
 C     -0.9203663350      2.9389382772      2.2682853840
 C     -1.8739766515      2.5514019666      1.6441122991
 C     -2.7348085504      1.9401183301      0.7894647546
 C     -3.1306253657      1.1218141965     -0.0088194071
 C     -3.2567712376      0.2076058092     -1.0495412364
 C     -2.9136032829     -0.6146727035     -1.8776944165
 C     -2.1999485865     -1.4502328896     -2.6612657008
 C     -1.4579562743     -2.3117035545     -3.0485378378
 C     -0.1975067317     -2.9437789618     -2.9706704797
 C      0.9335350360     -2.9589331585     -2.5095107265
 C      2.0482964804     -2.5340733738     -1.8579947745
 C      2.7026375907     -1.9942874427     -0.9512580582
 C      3.0929377868     -1.3264502928      0.1625013672
 C      3.0193516021     -0.5576145650      1.1155629255
 C      2.7640826934      0.3571940242      2.0756421548
 C      2.3506208676      1.2710660106      2.7243699611
18
# ORCA AIMD Position Step 727, t=727.00 fs, E_Pot=-685.23087198 Hartree, Unit is Angstrom
 C      1.3958796922      2.1987492767      2.9579457889
 C      0.3618166923      2.7770707480      2.7866125659
 C     -0.9170043456      2.9373693879      2.2739551281
 C     -1.8705917973      2.5598585101      1.6434184371
 C     -2.7347437734      1.9363001855      0.7920704400
 C     -3.1253997500      1.1211196501     -0.0113811709
 C     -3.2575501882      0.2134968924     -1.0465835916
 C     -2.9105258854     -0.6149918847     -1.8818270085
 C     -2.1969225944     -1.4507581170     -2.6623770426
 C     -1.4585041412     -2.3057529799     -3.0491328574
 C     -0.2044871167     -2.9389702795     -2.9815757016
 C      0.9321167114     -2.9532412662     -2.5077428160
 C      2.0459396571     -2.5285201495     -1.8564182048
 C      2.6993060745     -1.9946473203     -0.9572339672
 C      3.1000670325     -1.3324657390      0.1657391249
 C      3.0193283011     -0.5648006033      1.1211152967
 C      2.7598531608      0.3541674251      2.0734220160
 C      2.3432737823      1.2643828415      2.7291017780
18
# ORCA AIMD Position Step 728, t=728.00 fs, E_Pot=-685.23156353 Hartree, Unit is Angstrom
 C      1.3982520652      2.1921996561      2.9583270937
 C      0.3582722934      2.7756121619      2.7855037222
 C     -0.9121400370      2.9357262934      2.2804105115
 C     -1.8681475729      2.5682606310      1.6421834596
 C     -2.7342600096      1.9326364918      0.7951323160
 C     -3.1205999098      1.1197690553     -0.0151071932
 C     -3.2577196709      0.2193387516     -1.0434584164
 C     -2.9078693641     -0.6142430733     -1.8853128720
 C     -2.1954578492     -1.4506254916     -2.6630059843
 C     -1.4562890480     -2.3016062220     -3.0500286552
 C     -0.2115495446     -2.9333141564     -2.9921211164
 C      0.9297626712     -2.9472599693     -2.5067382494
 C      2.0440681745     -2.5227476990     -1.8536186112
 C      2.6954555149     -1.9955727616     -0.9637911835
 C      3.1067654528     -1.3378599086      0.1692159904
 C      3.0197009899     -0.5728194421      1.1260147115
 C      2.7565367730      0.3499345034      2.0703874387
 C      2.3353034216      1.2586350699      2.7343421285
18
# ORCA AIMD Position Step 729, t=729.00 fs, E_Pot=-685.23181176 Hartree, Unit is Angstrom
 C      1.4008330057      2.1858700793      2.9590516949
 C      0.3534107429      2.7745457094      2.7841688938
 C     -0.9061797828      2.9340003113      2.2874141917
 C     -1.8666403083      2.5765101088      1.6404043877
 C     -2.7332460146      1.9292275672      0.7987026665
 C     -3.1161895893      1.1179759503     -0.0197372633
 C     -3.2571271368      0.2245634942     -1.0407637996
 C     -2.9058057416     -0.6120374301     -1.8877357134
 C     -2.1957412360     -1.4496415837     -2.6630785298
 C     -1.4513493952     -2.2993459675     -3.0513353138
 C     -0.2179139519     -2.9269277330     -3.0020142734
 C      0.9259844865     -2.9409797244     -2.5067288199
 C      2.0421994855     -2.5171254402     -1.8502118865
 C      2.6916224184     -1.9965773833     -0.9700690478
 C      3.1129149816     -1.3427867169      0.1726546210
 C      3.0204768582     -0.5816574644      1.1302064338
 C      2.7540096848      0.3447829126      2.0668196808
 C      2.3270489250      1.2533648451      2.7397994569
18
# ORCA AIMD Position Step 730, t=730.00 fs, E_Pot=-685.23149389 Hartree, Unit is Angstrom
 C      1.4028567246      2.1802719660      2.9600914794
 C      0.3481281973      2.7735162533      2.7828473738
 C     -0.8997341687      2.9321516816      2.2946192964
 C     -1.8659155123      2.5845695003      1.6381850707
 C     -2.7316541061      1.9260777543      0.8027274554
 C     -3.1120862971      1.1160423316     -0.0249177031
 C     -3.2556949654      0.2287657160     -1.0389393045
 C     -2.9044257679     -0.6081744251     -1.8888630417
 C     -2.1976794340     -1.4479136395     -2.6626561641
 C     -1.4441013933     -2.2986920038     -3.0530203030
 C     -0.2229191284     -2.9199576337     -3.0110400044
 C      0.9205536420     -2.9343776299     -2.5078320834
 C      2.0397562566     -2.5120622105     -1.8468953722
 C      2.6883739366     -1.9971609232     -0.9751796085
 C      3.1184158993     -1.3474641188      0.1757066977
 C      3.0216523922     -0.5912262543      1.1337345581
 C      2.7520957310      0.3390883441      2.0630662353
 C      2.3189012258      1.2480061409      2.7451103080
18
# ORCA AIMD Position Step 731, t=731.00 fs, E_Pot=-685.23091744 Hartree, Unit is Angstrom
 C      1.4036664867      2.1758431621      2.9614197968
 C      0.3432972417      2.7721952712      2.7817813589
 C     -0.8935294355      2.9301326065      2.3016217383
 C     -1.8657211850      2.5924406712      1.6357015925
 C     -2.7294900213      1.9231161486      0.8070664377
 C     -3.1081781806      1.1143128333     -0.0302473312
 C     -3.2534246483      0.2317446711     -1.0382221167
 C     -2.9037264581     -0.6026647347     -1.8886706407
 C     -2.2009404057     -1.4457978243     -2.6619112720
 C     -1.4352836859     -2.2990590269     -3.0549259661
 C     -0.2260790257     -2.9125708363     -3.0190845148
 C      0.9135155004     -2.9274237547     -2.5100439808
 C      2.0361864107     -2.5079214405     -1.8443053418
 C      2.6861976027     -1.9969070645     -0.9783722268
 C      3.1231983974     -1.3521312205      0.1780141414
 C      3.0232130741     -0.6013791369      1.1367251377
 C      2.7506066216      0.3332256435      2.0594710108
 C      2.3112243358      1.2420051787      2.7499090734
18
# ORCA AIMD Position Step 732, t=732.00 fs, E_Pot=-685.23057910 Hartree, Unit is Angstrom
 C      1.4028382099      2.1728595725      2.9630167818
 C      0.3396374294      2.7703392920      2.7811840852
 C     -0.8883067714      2.9279039042      2.3080143823
 C     -1.8657731628      2.6001389781      1.6331583378
 C     -2.7267955006      1.9202280755      0.8115264451
 C     -3.1043439270      1.1131320470     -0.0353210575
 C     -3.2503904901      0.2335108759     -1.0386354135
 C     -2.9036073755     -0.5957319150     -1.8873454320
 C     -2.2050553777     -1.4437779374     -2.6610696169
 C     -1.4258371281     -2.2996841041     -3.0568216383
 C     -0.2271153897     -2.9049462470     -3.0261422774
 C      0.9051777197     -2.9200895860     -2.5132421142
 C      2.0310896776     -2.5049365145     -1.8428686216
 C      2.6853891020     -1.9955765730     -0.9791924396
 C      3.1272246551     -1.3570011172      0.1792726637
 C      3.0251368423     -0.6119338010      1.1393512418
 C      2.7493778116      0.3274937559      2.0563181597
 C      2.3042896943      1.2349321682      2.7538892298
18
# ORCA AIMD Position Step 733, t=733.00 fs, E_Pot=-685.23073485 Hartree, Unit is Angstrom
 C      1.4002451095      2.1713853808      2.9648695660
 C      0.3376273435      2.7678206354      2.7812157186
 C     -0.8847259114      2.9254472421      2.3134373677
 C     -1.8658012048      2.6076762290      1.6307570834
 C     -2.7236398411      1.9172809659      0.8158837490
 C     -3.1004702836      1.1128074782     -0.0397680427
 C     -3.2467291015      0.2342715567     -1.0399968862
 C     -2.9038835097     -0.5877902605     -1.8852636720
 C     -2.2095208536     -1.4423493004     -2.6603552015
 C     -1.4167666534     -2.2997650440     -3.0584570100
 C     -0.2259862666     -2.8972630673     -3.0323154963
 C      0.8960761597     -2.9123591178     -2.5172012789
 C      2.0243289301     -2.5031461983     -1.8426886930
 C      2.6859652499     -1.9931748867     -0.9775997421
 C      3.1304910348     -1.3622144291      0.1792935100
 C      3.0273980183     -0.6227017175      1.1417899635
 C      2.7482887594      0.3220832004      2.0538030174
 C      2.2982367661      1.2265500163      2.7568382986
18
# ORCA AIMD Position Step 734, t=734.00 fs, E_Pot=-685.23117034 Hartree, Unit is Angstrom
 C      1.3960735784      2.1712576166      2.9669724589
 C      0.3374377700      2.7646447355      2.7819610386
 C     -0.8832705507      2.9227687460      2.3176251363
 C     -1.8655922637      2.6150458445      1.6286660884
 C     -2.7201048729      1.9141531400      0.8199162645
 C     -3.0964669454      1.1135782486     -0.0432873286
 C     -3.2426246420      0.2344004932     -1.0419458038
 C     -2.9043055184     -0.5794042737     -1.8829501005
 C     -2.2138868575     -1.4419239680     -2.6599468698
 C     -1.4089972437     -2.2985875747     -3.0596092218
 C     -0.2229193445     -2.8896803487     -3.0378103031
 C      0.8869380488     -2.9042362178     -2.5216090762
 C      2.0160688734     -2.5023814728     -1.8435186170
 C      2.6876455742     -1.9899614925     -0.9739900762
 C      3.1330248062     -1.3678090718      0.1780434649
 C      3.0299722618     -0.6335146326      1.1441843299
 C      2.7472734142      0.3170601022      2.0520186031
 C      2.2930609281      1.2168444828      2.7586556506
18
# ORCA AIMD Position Step 735, t=735.00 fs, E_Pot=-685.23139638 Hartree, Unit is Angstrom
 C      1.3908006363      2.1721016492      2.9693306976
 C      0.3388906008      2.7609568280      2.7834162190
 C     -0.8841743900      2.9198956955      2.3204412621
 C     -1.8650260354      2.6222165428      1.6269945550
 C     -2.7162678216      1.9107595749      0.8234361526
 C     -3.0922753617      1.1155943366     -0.0456722792
 C     -3.2382842405      0.2343770994     -1.0440034908
 C     -2.9045938215     -0.5712169299     -1.8810108306
 C     -2.2178214135     -1.4427668419     -2.6599513962
 C     -1.4032409969     -2.2956278729     -3.0601195697
 C     -0.2184115797     -2.8823106539     -3.0429197976
 C      0.8786074564     -2.8957442914     -2.5260952436
 C      2.0067318128     -2.5023096267     -1.8448344446
 C      2.6899098631     -1.9863957669     -0.9691105496
 C      3.1348840984     -1.3737074802      0.1756679951
 C      3.0328387938     -0.6442481679      1.1466151947
 C      2.7463234300      0.3123648701      2.0509536130
 C      2.2886261389      1.2060093336      2.7593547529
18
# ORCA AIMD Position Step 736, t=736.00 fs, E_Pot=-685.23112346 Hartree, Unit is Angstrom
 C      1.3851184296      2.1733863407      2.9719612279
 C      0.3414938056      2.7570145987      2.7854925382
 C     -0.8873916307      2.9168784794      2.3218997431
 C     -1.8640943129      2.6291293844      1.6257738630
 C     -2.7121910752      1.9070735440      0.8263177777
 C     -3.0878710804      1.1189065938     -0.0468224491
 C     -3.2339051266      0.2346933066     -1.0456741173
 C     -2.9044804102     -0.5638506818     -1.8800359953
 C     -2.2211495349     -1.4449675561     -2.6603955461
 C     -1.3999164597     -2.2906020646     -3.0599064801
 C     -0.2131670537     -2.8752097792     -3.0479951693
 C      0.8719317346     -2.8869220649     -2.5302809270
 C      1.9969070096     -2.5025094653     -1.8459614198
 C      2.6921040941     -1.9830472410     -0.9639120263
 C      3.1361578492     -1.3797282690      0.1724811278
 C      3.0359831845     -0.6548393127      1.1490918618
 C      2.7454789040      0.3078405266      2.0505119216
 C      2.2846965113      1.1943938444      2.7590479740
18
# ORCA AIMD Position Step 737, t=737.00 fs, E_Pot=-685.23055665 Hartree, Unit is Angstrom
 C      1.3798328879      2.1744998755      2.9748930638
 C      0.3445148978      2.7531539994      2.7880317892
 C     -0.8925985582      2.9137886301      2.3221675601
 C     -1.8629233657      2.6356928635      1.6249397852
 C     -2.7079013688      1.9031503684      0.8285294331
 C     -3.0832690913      1.1234562432     -0.0467594429
 C     -3.2296379958      0.2357570841     -1.0465452911
 C     -2.9037552358     -0.5578021292     -1.8804943685
 C     -2.2238779985     -1.4484284253     -2.6612237433
 C     -1.3991008746     -2.2834949182     -3.0589782315
 C     -0.2079799146     -2.8683720491     -3.0533908607
 C      0.8676327829     -2.8778160777     -2.5338365868
 C      1.9872334880     -2.5025587183     -1.8462162806
 C      2.6935661525     -1.9804889097     -0.9593690477
 C      3.1369552426     -1.3856234522      0.1689106261
 C      3.0393964658     -0.6652786331      1.1515656736
 C      2.7448202440      0.3032523948      2.0505316601
 C      2.2809820335      1.1824405237      2.7579223936
18
# ORCA AIMD Position Step 738, t=738.00 fs, E_Pot=-685.23027517 Hartree, Unit is Angstrom
 C      1.3757475687      2.1748318368      2.9781620034
 C      0.3471005695      2.7497405817      2.7908377574
 C     -0.8992284610      2.9107190447      2.3215489693
 C     -1.8617844064      2.6417789278      1.6243240574
 C     -2.7033753372      1.8991442778      0.8301536003
 C     -3.0785305747      1.1290707371     -0.0456352087
 C     -3.2255583252      0.2378155151     -1.0463691244
 C     -2.9023040930     -0.5533630327     -1.8826506347
 C     -2.2262003088     -1.4528673800     -2.6622995178
 C     -1.4005282801     -2.2745614589     -3.0574415635
 C     -0.2035924023     -2.8617385377     -3.0593932314
 C      0.8661888327     -2.8684789669     -2.5365426487
 C      1.9783002062     -2.5020992002     -1.8450203043
 C      2.6937383689     -1.9792069403     -0.9563177597
 C      3.1373860846     -1.3911331243      0.1654120270
 C      3.0430696856     -0.6755745930      1.1539643746
 C      2.7444578173      0.2983113737      2.0508050502
 C      2.2771843473      1.1706230905      2.7562066305
18
# ORCA AIMD Position Step 739, t=739.00 fs, E_Pot=-685.23079895 Hartree, Unit is Angstrom
 C      1.3735021039      2.1738814946      2.9817892696
 C      0.3484781666      2.7470811717      2.7937206136
 C     -0.9065581684      2.9077854944      2.3204473017
 C     -1.8610620884      2.6472285503      1.6236737493
 C     -2.6985462167      1.8953070316      0.8313827500
 C     -3.0737603626      1.1354745231     -0.0437168075
 C     -3.2216538331      0.2408883969     -1.0451366071
 C     -2.9001301370     -0.5505615534     -1.8864966813
 C     -2.2284917745     -1.4578347212     -2.6634150820
 C     -1.4036362275     -2.2642948803     -3.0554950231
 C     -0.2005123695     -2.8552251215     -3.0661554579
 C      0.8677022820     -2.8589713989     -2.5383494998
 C      1.9705848305     -2.5008842035     -1.8419742617
 C      2.6922438401     -1.9795311963     -0.9553366413
 C      3.1375498961     -1.3960344221      0.1623868778
 C      3.0469896536     -0.6857358787      1.1562117845
 C      2.7445074821      0.2927364469      2.0511273169
 C      2.2730422396      1.1593804335      2.7541288331
18
# ORCA AIMD Position Step 740, t=740.00 fs, E_Pot=-685.23214926 Hartree, Unit is Angstrom
 C      1.3734288505      2.1713510799      2.9857610135
 C      0.3481282448      2.7453484209      2.7965353493
 C     -0.9138033414      2.9051153498      2.3193118906
 C     -1.8611959486      2.6518726021      1.6226932506
 C     -2.6933197201      1.8919610164      0.8324950758
 C     -3.0691013125      1.1423059217     -0.0413706297
 C     -3.2178310800      0.2447768695     -1.0430715025
 C     -2.8973566155     -0.5491660209     -1.8917491493
 C     -2.2312700469     -1.4627549616     -2.6643115895
 C     -1.4076368872     -2.2533790103     -3.0534200320
 C     -0.1989127565     -2.8487412640     -3.0736486835
 C      0.8718576715     -2.8493658891     -2.5394053742
 C      1.9644007052     -2.4988007698     -1.8369099261
 C      2.6889506289     -1.9815856305     -0.9566479848
 C      3.1375135584     -1.4001913764      0.1600956243
 C      3.0511320191     -0.6957401895      1.1582593969
 C      2.7450671938      0.2862992181      2.0513279565
 C      2.2683745465      1.1490592768      2.7518778144
18
# ORCA AIMD Position Step 741, t=741.00 fs, E_Pot=-685.23378788 Hartree, Unit is Angstrom
 C      1.3754534601      2.1672077458      2.9900147158
 C      0.3459208421      2.7445203716      2.7992125156
 C     -0.9202512811      2.9028279204      2.3185612039
 C     -1.8625748897      2.6555732380      1.6211209081
 C     -2.6876057188      1.8894457301      0.8337995021
 C     -3.0647155960      1.1491629432     -0.0390143026
 C     -3.2139399021      0.2491128263     -1.0405797967
 C     -2.8942063131     -0.5487331434     -1.8979021898
 C     -2.2351157614     -1.4670115177     -2.6647206310
 C     -1.4116377143     -2.2425878523     -3.0515457219
 C     -0.1986070467     -2.8422045690     -3.0816663945
 C      0.8779638559     -2.8397453403     -2.5400399426
 C      1.9598511374     -2.4958868813     -1.8299214284
 C      2.6840043472     -1.9852641826     -0.9600716231
 C      3.1373028878     -1.4035823213      0.1586115114
 C      3.0554636901     -0.7055306385      1.1600987869
 C      2.7461882248      0.2788773599      2.0513151791
 C      2.2631098110      1.1398578789      2.7495642534
18
# ORCA AIMD Position Step 742, t=742.00 fs, E_Pot=-685.23494358 Hartree, Unit is Angstrom
 C      1.3791080508      2.1616754725      2.9944394487
 C      0.3421311252      2.7443771250      2.8017676876
 C     -0.9253841516      2.9010107114      2.3185033220
 C     -1.8654285604      2.6582635815      1.6188099775
 C     -2.6813504941      1.8880506942      0.8355650713
 C     -3.0607563546      1.1556601872     -0.0370543774
 C     -3.2098086333      0.2534534947     -1.0381501365
 C     -2.8909615110     -0.5486976363     -1.9043271569
 C     -2.2405554113     -1.4700696372     -2.6644211467
 C     -1.4147950626     -2.2326477700     -3.0501929773
 C     -0.1991225971     -2.8355416970     -3.0898712195
 C      0.8850946592     -2.8301907869     -2.5407017681
 C      1.9567778757     -2.4923482881     -1.8213947890
 C      2.6778421503     -1.9902263601     -0.9650149987
 C      3.1369006727     -1.4063048259      0.1578140495
 C      3.0599478240     -0.7150233517      1.1617662422
 C      2.7478567804      0.2704785283      2.0511002386
 C      2.2572914014      1.1317998543      2.7471996192
18
# ORCA AIMD Position Step 743, t=743.00 fs, E_Pot=-685.23497974 Hartree, Unit is Angstrom
 C      1.3836416438      2.1551776232      2.9989037030
 C      0.3373369684      2.7445545779      2.8042798875
 C     -0.9289597647      2.8997015628      2.3192839936
 C     -1.8697364404      2.6599876025      1.6157979367
 C     -2.6745843936      1.8879354114      0.8379353786
 C     -3.0573357999      1.1614851066     -0.0358234203
 C     -3.2052822056      0.2573932228     -1.0362367943
 C     -2.8879174832     -0.5484726495     -1.9103848096
 C     -2.2479162269     -1.4716207775     -2.6633142480
 C     -1.4164892105     -2.2240765302     -3.0495965668
 C     -0.1998432975     -2.8286983955     -3.0978861692
 C      0.8922782255     -2.8207702941     -2.5418601970
 C      1.9547538766     -2.4885504123     -1.8119967191
 C      2.6711590467     -1.9959273326     -0.9705284817
 C      3.1362635239     -1.4085506772      0.1574323215
 C      3.0645431584     -0.7241236197      1.1633334352
 C      2.7499978735      0.2612357613      2.0507939322
 C      2.2510695323      1.1247262524      2.7446934735
18
# ORCA AIMD Position Step 744, t=744.00 fs, E_Pot=-685.23374742 Hartree, Unit is Angstrom
 C      1.3881946637      2.1482194989      3.0032748413
 C      0.3322576879      2.7446303815      2.8068638169
 C     -0.9310232070      2.8988828889      2.3208685732
 C     -1.8752079571      2.6609050584      1.6123276328
 C     -2.6674373256      1.8890902660      0.8408807247
 C     -3.0545064052      1.1664427441     -0.0355285823
 C     -3.2002437425      0.2606327430     -1.0351845071
 C     -2.8853489396     -0.5475306525     -1.9155138816
 C     -2.2572238341     -1.4716657789     -2.6614644446
 C     -1.4164417647     -2.2170924327     -3.0498623946
 C     -0.2001492259     -2.8216290751     -3.1053547211
 C      0.8986649761     -2.8115323013     -2.5439293828
 C      1.9531146376     -2.4849792513     -1.8026104102
 C      2.6648306836     -2.0017005694     -0.9754426822
 C      3.1353351508     -1.4105601646      0.1571207664
 C      3.0692152290     -0.7327371269      1.1648966650
 C      2.7524857908      0.2513710904      2.0505797086
 C      2.2446621264      1.1183543218      2.7418849196
18
# ORCA AIMD Position Step 745, t=745.00 fs, E_Pot=-685.23177284 Hartree, Unit is Angstrom
 C      1.3919554341      2.1412878866      3.0074385853
 C      0.3275960615      2.7442006884      2.8096364282
 C     -0.9318452056      2.8984923485      2.3230777559
 C     -1.8813229192      2.6612792416      1.6088214850
 C     -2.6601486972      1.8913213542      0.8441747745
 C     -3.0522520176      1.1704688042     -0.0362319778
 C     -3.1946297174      0.2630307880     -1.0351716110
 C     -2.8834811540     -0.5454655238     -1.9192964726
 C     -2.2681734053     -1.4705272217     -2.6591067191
 C     -1.4147522589     -2.2115901221     -3.0509484945
 C     -0.1995300627     -2.8142955458     -3.1119975959
 C      0.9036309334     -2.8025032269     -2.5472144986
 C      1.9510711288     -2.4821691609     -1.7942094965
 C      2.6597825955     -2.0068604270     -0.9785491893
 C      3.1340657998     -1.4125693409      0.1565467161
 C      3.0739389240     -0.7407896791      1.1665504130
 C      2.7551680962      0.2411490555      2.0506760076
 C      2.2383116540      1.1123427965      2.7385814683
18
# ORCA AIMD Position Step 746, t=746.00 fs, E_Pot=-685.23011191 Hartree, Unit is Angstrom
 C      1.3942799277      2.1347712998      3.0113102103
 C      0.3239145470      2.7429394485      2.8126886527
 C     -0.9318157662      2.8984419264      2.3256557171
 C     -1.8874222274      2.6614446092      1.6058129561
 C     -2.6530526691      1.8942755155      0.8474181458
 C     -3.0504937137      1.1736111295     -0.0378666879
 C     -3.1884392153      0.2646332365     -1.0361773780
 C     -2.8824641381     -0.5420442949     -1.9215076911
 C     -2.2801907183     -1.4687730493     -2.6566063847
 C     -1.4118370251     -2.2072004862     -3.0526836892
 C     -0.1976775726     -2.8066670402     -3.1176522561
 C      0.9068385195     -2.7936899483     -2.5518776928
 C      1.9478982806     -2.4805850374     -1.7876549456
 C      2.6567978942     -2.0108420742     -0.9788465339
 C      3.1324301383     -1.4147662344      0.1554630163
 C      3.0786966676     -0.7482349600      1.1683684130
 C      2.7578934080      0.2308303062      2.0512948056
 C      2.2322401851      1.1063611117      2.7346002526
18
# ORCA AIMD Position Step 747, t=747.00 fs, E_Pot=-685.22970174 Hartree, Unit is Angstrom
 C      1.3947595668      2.1289068605      3.0148279106
 C      0.3215681649      2.7406306959      2.8160694019
 C     -0.9313340340      2.8986388328      2.3283381658
 C     -1.8928165458      2.6617571236      1.6038624312
 C     -2.6465383014      1.8975037365      0.8501043741
 C     -3.0491117751      1.1759967221     -0.0402707398
 C     -3.1817344766      0.2656596452     -1.0379923885
 C     -2.8823563936     -0.5372413118     -1.9221391025
 C     -2.2925565193     -1.4670749474     -2.6543794626
 C     -1.4082993029     -2.2034144483     -3.0548220516
 C     -0.1945312455     -2.7987181626     -3.1222798165
 C      0.9082364289     -2.7850932255     -2.5579356551
 C      1.9431521929     -2.4804939422     -1.7834698273
 C      2.6563129754     -2.0133433605     -0.9757956956
 C      3.1304389921     -1.4172525197      0.1537712085
 C      3.0834764469     -0.7550536663      1.1703871409
 C      2.7605302085      0.2206376130      2.0526071974
 C      2.2266136264      1.1001600704      2.7298068715
18
# ORCA AIMD Position Step 748, t=748.00 fs, E_Pot=-685.23058792 Hartree, Unit is Angstrom
 C      1.3932322123      2.1237767806      3.0179484855
 C      0.3206909370      2.7371808828      2.8197775773
 C     -0.9307331525      2.8989993164      2.3309028808
 C     -1.8968790205      2.6625474875      1.6034775931
 C     -2.6410059526      1.9005287880      0.8516957239
 C     -3.0479658821      1.1777945473     -0.0432248319
 C     -3.1746407321      0.2664698836     -1.0402497806
 C     -2.8831223342     -0.5312415536     -1.9213898025
 C     -2.3045295712     -1.4660780433     -2.6528227038
 C     -1.4047935628     -2.1997031934     -3.0570942326
 C     -0.1902898010     -2.7904382376     -3.1259623826
 C      0.9080221111     -2.7767203556     -2.5652701887
 C      1.9368421334     -2.4818738106     -1.7816749482
 C      2.6582694659     -2.0144173247     -0.9694977345
 C      3.1281530237     -1.4200159365      0.1515656565
 C      3.0882664256     -0.7612617533      1.1725820057
 C      2.7629783553      0.2107477118      2.0547248183
 C      2.2215303829      1.0936072853      2.7241430646
18
# ORCA AIMD Position Step 749, t=749.00 fs, E_Pot=-685.23186246 Hartree, Unit is Angstrom
 C      1.3897873196      2.1192971533      3.0206376595
 C      0.3211945881      2.7326207439      2.8237651211
 C     -0.9302234940      2.8994600409      2.3332048419
 C     -1.8991506030      2.6640549727      1.6050234459
 C     -2.6367889323      1.9029431582      0.8517335611
 C     -3.0469180490      1.1791941246     -0.0464831640
 C     -3.1673331661      0.2675091623     -1.0424823305
 C     -2.8846314889     -0.5244414818     -1.9196596003
 C     -2.3154634283     -1.4662805411     -2.6522388407
 C     -1.4019079552     -2.1956149108     -3.0592565847
 C     -0.1854070117     -2.7818234401     -3.1288940543
 C      0.9066144278     -2.7685891657     -2.5736422388
 C      1.9294386291     -2.4844177310     -1.7817872525
 C      2.6621102343     -2.0144713953     -0.9607018116
 C      3.1256849948     -1.4229265480      0.1491402253
 C      3.0930544202     -0.7669006932      1.1748795391
 C      2.7651759728      0.2012741109      2.0576836890
 C      2.2170070134      1.0867107116      2.7176421586
18
# ORCA AIMD Position Step 750, t=750.00 fs, E_Pot=-685.23260534 Hartree, Unit is Angstrom
 C      1.3847665846      2.1152174851      3.0228735618
 C      0.3227433578      2.7271202873      2.8279497263
 C     -0.9298326996      2.8999794633      2.3352056702
 C     -1.8994516903      2.6663692922      1.6086376721
 C     -2.6340677321      1.9044990859      0.8499344716
 C     -3.0458615662      1.1803471596     -0.0498456514
 C     -3.1599976375      0.2692769914     -1.0441608581
 C     -2.8866837942     -0.5173964582     -1.9174933849
 C     -2.3249058750     -1.4679516268     -2.6527898575
 C     -1.4000348210     -2.1908630523     -3.0611346111
 C     -0.1805832869     -2.7728442564     -3.1313625986
 C      0.9046201028     -2.7607185840     -2.5827155758
 C      1.9217129002     -2.4876348038     -1.7829900028
 C      2.6669401203     -2.0141508588     -0.9505899168
 C      3.1231833692     -1.4257811069      0.1469126294
 C      3.0978292346     -0.7720160337      1.1771974431
 C      2.7671195388      0.1922290860      2.0614275644
 C      2.2129706370      1.0796142471      2.7104345860
18
# ORCA AIMD Position Step 751, t=751.00 fs, E_Pot=-685.23249081 Hartree, Unit is Angstrom
 C      1.3786411780      2.1111970308      3.0246491967
 C      0.3249101392      2.7209071577      2.8322324331
 C     -0.9294923501      2.9005489120      2.3369553965
 C     -1.8978365077      2.6694328173      1.6142440529
 C     -2.6328674738      1.9051439529      0.8462319085
 C     -3.0447087669      1.1814335901     -0.0530984657
 C     -3.1528145694      0.2721422248     -1.0448941950
 C     -2.8890546964     -0.5106956671     -1.9154650718
 C     -2.3326178938     -1.4711522237     -2.6545030981
 C     -1.3994288370     -2.1852762459     -3.0626235316
 C     -0.1765493983     -2.7634884998     -3.1336989126
 C      0.9026909908     -2.7531176732     -2.5921342694
 C      1.9145464205     -2.4909839878     -1.7843487195
 C      2.6717235055     -2.0142127755     -0.9405630683
 C      3.1208374682     -1.4282984538      0.1454412751
 C      3.1025890615     -0.7766896700      1.1794250477
 C      2.7688240963      0.1835921005      2.0658751201
 C      2.2093031908      1.0725157007      2.7026863032
18
# ORCA AIMD Position Step 752, t=752.00 fs, E_Pot=-685.23194133 Hartree, Unit is Angstrom
 C      1.3719498437      2.1068515551      3.0259747990
 C      0.3272289161      2.7142445824      2.8365130073
 C     -0.9290595218      2.9011898641      2.3385787675
 C     -1.8945846095      2.6730436051      1.6215574868
 C     -2.6330525489      1.9050336949      0.8407925796
 C     -3.0433956414      1.1826491550     -0.0560282215
 C     -3.1459339429      0.2762642411     -1.0445166067
 C     -2.8915360506     -0.5048603965     -1.9140715693
 C     -2.3385723527     -1.4757545468     -2.6572844891
 C     -1.4002194976     -2.1787865073     -3.0636894318
 C     -0.1739447807     -2.7537695754     -3.1362276033
 C      0.9014269948     -2.7457903023     -2.6015797806
 C      1.9087580044     -2.4939784128     -1.7849983503
 C      2.6754924760     -2.0153785171     -0.9319716565
 C      3.1188445469     -1.4301844247      0.1453132312
 C      3.1073396231     -0.7810222269      1.1814485758
 C      2.7703139364      0.1753295342      2.0709416878
 C      2.2058728265      1.0656225330      2.6945731740
18
# ORCA AIMD Position Step 753, t=753.00 fs, E_Pot=-685.23177473 Hartree, Unit is Angstrom
 C      1.3653010062      2.1017605503      3.0268696012
 C      0.3291529680      2.7074512370      2.8406957939
 C     -0.9282467366      2.9019463301      2.3402892733
 C     -1.8902324887      2.6768673898      1.6300824319
 C     -2.6343166912      1.9045319125      0.8340216709
 C     -3.0419200115      1.1840996994     -0.0585361399
 C     -3.1394416504      0.2816330390     -1.0430483598
 C     -2.8939731875     -0.5002763785     -1.9136569206
 C     -2.3429675250     -1.4814349370     -2.6609248741
 C     -1.4022865375     -2.1715174456     -3.0643993448
 C     -0.1732890171     -2.7436712841     -3.1391942309
 C      0.9013128783     -2.7387335321     -2.6107855265
 C      1.9049182934     -2.4962751108     -1.7843317358
 C      2.6775336140     -2.0181807896     -0.9258205096
 C      3.1173576183     -1.4312518204      0.1469230447
 C      3.1120858240     -0.7850547815      1.1832438953
 C      2.7716478745      0.1673480919      2.0765034891
 C      2.2025266606      1.0591703226      2.6863010710
18
# ORCA AIMD Position Step 754, t=754.00 fs, E_Pot=-685.23243119 Hartree, Unit is Angstrom
 C      1.3592586712      2.0955514295      3.0273581860
 C      0.3301899370      2.7008354846      2.8447037333
 C     -0.9267197035      2.9028790558      2.3423406017
 C     -1.8854513621      2.6805070075      1.6392043755
 C     -2.6362504418      1.9041464281      0.8265048744
 C     -3.0403272027      1.1858363713     -0.0605961716
 C     -3.1333658316      0.2879942785     -1.0407729536
 C     -2.8962787531     -0.4971341831     -1.9143509966
 C     -2.3461879409     -1.4877241620     -2.6651265662
 C     -1.4053489346     -2.1637201929     -3.0648982902
 C     -0.1748107789     -2.7331925615     -3.1427160975
 C      0.9026014782     -2.7319453247     -2.6195899867
 C      1.9033259111     -2.4976895918     -1.7820370257
 C      2.6774512518     -2.0229038011     -0.9226657306
 C      3.1164599473     -1.4314615825      0.1503998644
 C      3.1168293724     -0.7887772903      1.1848661730
 C      2.7728891191      0.1595561821      2.0824386602
 C      2.1991335646      1.0533665491      2.6780697322
18
# ORCA AIMD Position Step 755, t=755.00 fs, E_Pot=-685.23364821 Hartree, Unit is Angstrom
 C      1.3542571974      2.0879600017      3.0274632074
 C      0.3299945621      2.6946470639      2.8484917195
 C     -0.9241745471      2.9040524314      2.3449775896
 C     -1.8809399250      2.6835647909      1.6482777526
 C     -2.6383954459      1.9044585758      0.8189397064
 C     -3.0387020590      1.1878576749     -0.0622497765
 C     -3.1276893958      0.2948791280     -1.0382012803
 C     -2.8984313412     -0.4954191708     -1.9160663707
 C     -2.3487665362     -1.4940543900     -2.6695353845
 C     -1.4089965765     -2.1557477190     -3.0653956395
 C     -0.1783798771     -2.7223593654     -3.1467544345
 C      0.9052648604     -2.7254240996     -2.6279505106
 C      1.9039733088     -2.4982049017     -1.7781318487
 C      2.6752111411     -2.0295379362     -0.9225342544
 C      3.1161450599     -1.4309593601      0.1555411359
 C      3.1215661826     -0.7921213151      1.1864586732
 C      2.7740938970      0.1518854077      2.0886393480
 C      2.1956038766      1.0483636885      2.6700563789
18
# ORCA AIMD Position Step 756, t=756.00 fs, E_Pot=-685.23467271 Hartree, Unit is Angstrom
 C      1.3505222633      2.0788790797      3.0271954246
 C      0.3284484002      2.6890272193      2.8520640080
 C     -0.9204264158      2.9055187307      2.3483721139
 C     -1.8773008414      2.6857047899      1.6567351816
 C     -2.6403071847      1.9060412207      0.8120375766
 C     -3.0371508866      1.1901202633     -0.0635888460
 C     -3.1223632153      0.3016931742     -1.0359751873
 C     -2.9004628716     -0.4949510729     -1.9185486443
 C     -2.3513225143     -1.4998249707     -2.6737783590
 C     -1.4127498793     -2.1480050072     -3.0661406002
 C     -0.1835200088     -2.7112197542     -3.1511266049
 C      0.9090135766     -2.7191648647     -2.6359312921
 C      1.9065358739     -2.4979734592     -1.7729777061
 C      2.6711431907     -2.0377841201     -0.9249185516
 C      3.1163188384     -1.4300676262      0.1618276700
 C      3.1262895477     -0.7949667727      1.1882465725
 C      2.7753024123      0.1443003409      2.0950212356
 C      2.1919018259      1.0442369946      2.6624010356
18
# ORCA AIMD Position Step 757, t=757.00 fs, E_Pot=-685.23478306 Hartree, Unit is Angstrom
 C      1.3480326113      2.0683778412      3.0265562460
 C      0.3257039604      2.6839806771      2.8554810779
 C     -0.9155007026      2.9073030467      2.3525680809
 C     -1.8749336211      2.6866961064      1.6641739389
 C     -2.6416101229      1.9093777613      0.8064219904
 C     -3.0357717509      1.1925754245     -0.0647112590
 C     -3.1173270451      0.3078205401     -1.0347541513
 C     -2.9024311146     -0.4954556550     -1.9214605776
 C     -2.3544778901     -1.5044789222     -2.6775095093
 C     -1.4161499139     -2.1408713866     -3.0673808437
 C     -0.1894984353     -2.6998484546     -3.1555590425
 C      0.9133785382     -2.7131472726     -2.6436651952
 C      1.9103908544     -2.4973097421     -1.7672615124
 C      2.6659022020     -2.0470968908     -0.9288538734
 C      3.1168278706     -1.4292281893      0.1685348179
 C      3.1309908581     -0.7971717432      1.1904938599
 C      2.7765367212      0.1368049993      2.1015361548
 C      2.1880494194      1.0409687295      2.6551907287
18
# ORCA AIMD Position Step 758, t=758.00 fs, E_Pot=-685.23385433 Hartree, Unit is Angstrom
 C      1.3465354564      2.0566857059      3.0255407349
 C      0.3221603505      2.6793786893      2.8588542738
 C     -0.9096694759      2.9093958674      2.3574534282
 C     -1.8739703107      2.6864366454      1.6704119957
 C     -2.6420429013      1.9147912139      0.8025352009
 C     -3.0346289022      1.1951939292     -0.0656884180
 C     -3.1125252658      0.3127465130     -1.0350851808
 C     -2.9044029637     -0.4966394539     -1.9244672916
 C     -2.3587447948     -1.5075897058     -2.6804646045
 C     -1.4188623254     -2.1346278511     -3.0693207192
 C     -0.1954635536     -2.6883348157     -3.1597494853
 C      0.9178283973     -2.7073366342     -2.6513058486
 C      1.9146780564     -2.4966544430     -1.7619299537
 C      2.6603811087     -2.0567750854     -0.9330698076
 C      3.1174956654     -1.4289093759      0.1748923022
 C      3.1356641493     -0.7986121500      1.1934462365
 C      2.7777996055      0.1294378577      2.1081714670
 C      2.1841229600      1.0384515479      2.6484603482
18
# ORCA AIMD Position Step 759, t=759.00 fs, E_Pot=-685.23258230 Hartree, Unit is Angstrom
 C      1.3456128024      2.0441482227      3.0241450165
 C      0.3183832298      2.6749947329      2.8623286979
 C     -0.9034267921      2.9117546744      2.3627745685
 C     -1.8742784942      2.6849486597      1.6754874437
 C     -2.6414848684      1.9223990892      0.8005782891
 C     -3.0337315676      1.1979887097     -0.0665367506
 C     -3.1079187264      0.3161447960     -1.0373096563
 C     -2.9064398503     -0.4982511126     -1.9273023423
 C     -2.3644243872     -1.5089293906     -2.6825045084
 C     -1.4207634427     -2.1293981623     -3.0720820022
 C     -0.2005878107     -2.6767744743     -3.1634250730
 C      0.9218773932     -2.7016873164     -2.6589846086
 C      1.9184258064     -2.4965067884     -1.7580563491
 C      2.6555684221     -2.0660790043     -0.9362006146
 C      3.1181582062     -1.4295094424      0.1802506140
 C      3.1403080476     -0.7992272329      1.1972593664
 C      2.7790794658      0.1222623512      2.1149419675
 C      2.1802421210      1.0365087110      2.6422023123
18
# ORCA AIMD Position Step 760, t=760.00 fs, E_Pot=-685.23213900 Hartree, Unit is Angstrom
 C      1.3447764461      2.0311696476      3.0223768003
 C      0.3149895271      2.6705614737      2.8660541866
 C     -0.8974073900      2.9143119302      2.3681855164
 C     -1.8755185571      2.6823598050      1.6796140817
 C     -2.6399613074      1.9320986994      0.8004938660
 C     -3.0330264329      1.2010182515     -0.0672111065
 C     -3.1034920329      0.3179261740     -1.0415101342
 C     -2.9085905104     -0.5001193065     -1.9298050464
 C     -2.3715462352     -1.5084994422     -2.6836363979
 C     -1.4219781614     -2.1251282363     -3.0756816212
 C     -0.2041864060     -2.6652614556     -3.1663834034
 C      0.9251632457     -2.6961533067     -2.6667814878
 C      1.9207519343     -2.4973142731     -1.7566249569
 C      2.6523453039     -2.0743690694     -0.9370456643
 C      3.1186883881     -1.4312812128      0.1842051393
 C      3.1449233323     -0.7990576677      1.2019355824
 C      2.7803585752      0.1153544285      2.1218743952
 C      2.1765543378      1.0349229520      2.6363857559
18
# ORCA AIMD Position Step 761, t=761.00 fs, E_Pot=-685.23330075 Hartree, Unit is Angstrom
 C      1.3435621269      2.0181623689      3.0202630880
 C      0.3125259276      2.6658341276      2.8701530851
 C     -0.8922702341      2.9169836147      2.3733155906
 C     -1.8772272916      2.6788776810      1.6831158682
 C     -2.6376331840      1.9435753936      0.8019855579
 C     -3.0324047771      1.2043702154     -0.0676229582
 C     -3.0992580630      0.3182512942     -1.0474913258
 C     -2.9108866172     -0.5021640308     -1.9319296050
 C     -2.3798637615     -1.5065218810     -2.6840102203
 C     -1.4228490374     -2.1216130478     -3.0800316512
 C     -0.2058065397     -2.6538836327     -3.1685146319
 C      0.9274889658     -2.6907025837     -2.6747073893
 C      1.9210941084     -2.4993440477     -1.7582717122
 C      2.6512622548     -2.0812382589     -0.9348434538
 C      3.1190079742     -1.4342909248      0.1866559119
 C      3.1495072191     -0.7982624236      1.2072916476
 C      2.7816234280      0.1087884350      2.1289833207
 C      2.1732167335      1.0334716612      2.6309814824
18
# ORCA AIMD Position Step 762, t=762.00 fs, E_Pot=-685.23565801 Hartree, Unit is Angstrom
 C      1.3416060146      2.0054983129      3.0178550222
 C      0.3113586679      2.6606456995      2.8746898425
 C     -0.8885716581      2.9196771175      2.3778434704
 C     -1.8789048754      2.6747653828      1.6863608455
 C     -2.6347726515      1.9563367645      0.8045668927
 C     -3.0317199667      1.2081343327     -0.0676735182
 C     -3.0952597988      0.3175111532     -1.0548007414
 C     -2.9133465382     -0.5043887216     -1.9337342240
 C     -2.3889060003     -1.5033938301     -2.6838911344
 C     -1.4238432120     -2.1185559417     -3.0849612487
 C     -0.2052932302     -2.6427135272     -3.1698097475
 C      0.9288425107     -2.6853241659     -2.6826994704
 C      1.9193834676     -2.5025925676     -1.7630772856
 C      2.6523743649     -2.0866043515     -0.9294786609
 C      3.1190908538     -1.4384150206      0.1878050856
 C      3.1540485225     -0.7971051617      1.2129757557
 C      2.7828749364      0.1026193222      2.1362503854
 C      2.1703765118      1.0319579191      2.6259785506
18
# ORCA AIMD Position Step 763, t=763.00 fs, E_Pot=-685.23776163 Hartree, Unit is Angstrom
 C      1.3386987002      1.9934556530      3.0152197025
 C      0.3116020816      2.6549375635      2.8796550843
 C     -0.8866621076      2.9222992653      2.3815602995
 C     -1.8800921168      2.6703110568      1.6897074979
 C     -2.6317267148      1.9697831601      0.8076353293
 C     -3.0308096602      1.2123841399     -0.0672828254
 C     -3.0915581328      0.3162609783     -1.0628045951
 C     -2.9159813181     -0.5068543004     -1.9353513349
 C     -2.3980807933     -1.4996180807     -2.6836148563
 C     -1.4254342759     -2.1156369758     -3.0902573662
 C     -0.2028246146     -2.6317873732     -3.1703622238
 C      0.9293986200     -2.6800252774     -2.6906333997
 C      1.9160704002     -2.5067834553     -1.7705279262
 C      2.6552208596     -2.0907186813     -0.9215108796
 C      3.1189615316     -1.4433778135      0.1880979368
 C      3.1585290471     -0.7959108973      1.2185367392
 C      2.7841339237      0.0968654584      2.1436231115
 C      2.1681487374      1.0302348566      2.6213892003
18
# ORCA AIMD Position Step 764, t=764.00 fs, E_Pot=-685.23823960 Hartree, Unit is Angstrom
 C      1.3347932971      1.9821864656      3.0124297916
 C      0.3130962181      2.6487664209      2.8849751957
 C     -0.8866310082      2.9247653161      2.3843998077
 C     -1.8804254095      2.6657943963      1.6934706268
 C     -2.6288685636      1.9832976284      0.8105543324
 C     -3.0295192563      1.2171611454     -0.0664145508
 C     -3.0882142309      0.3151345720     -1.0707911048
 C     -2.9188130764     -0.5096367760     -1.9369367538
 C     -2.4067872968     -1.4957231309     -2.6835404665
 C     -1.4279921362     -2.1125837066     -3.0957136257
 C     -0.1988819837     -2.6210823044     -3.1703509444
 C      0.9294817561     -2.6748283423     -2.6983511200
 C      1.9119757116     -2.5114579350     -1.7796777869
 C      2.6589798167     -2.0940753759     -0.9119906030
 C      3.1186839107     -1.4488166804      0.1881216785
 C      3.1629309033     -0.7950082332      1.2235194271
 C      2.7854468168      0.0914900414      2.1510119688
 C      2.1666051547      1.0282126627      2.6172476206
18
# ORCA AIMD Position Step 765, t=765.00 fs, E_Pot=-685.23672052 Hartree, Unit is Angstrom
 C      1.3299970418      1.9717074062      3.0095567889
 C      0.3154422141      2.6422964268      2.8905248503
 C     -0.8883096927      2.9270038719      2.3864462478
 C     -1.8796833858      2.6614525917      1.6978755457
 C     -2.6265462362      1.9963269417      0.8127396316
 C     -3.0277198216      1.2224733610     -0.0650825420
 C     -3.0852788208      0.3147328753     -1.0780925189
 C     -2.9218848200     -0.5127747623     -1.9386104848
 C     -2.4145078045     -1.4921940481     -2.6840060289
 C     -1.4317150331     -2.1092131062     -3.1011654716
 C     -0.1941774167     -2.6105163071     -3.1700126873
 C      0.9295187505     -2.6697630751     -2.7056807031
 C      1.9080614556     -2.5161059542     -1.7894105590
 C      2.6627016891     -2.0972678479     -0.9021725470
 C      3.1183466896     -1.4543566880      0.1884897150
 C      3.1672357693     -0.7946770970      1.2275450532
 C      2.7868824607      0.0864055977      2.1583053810
 C      2.1657745427      1.0258527253      2.6136016445
18
# ORCA AIMD Position Step 766, t=766.00 fs, E_Pot=-685.23401985 Hartree, Unit is Angstrom
 C      1.3245289162      1.9619236182      3.0066610980
 C      0.3180883656      2.6357641442      2.8961563572
 C     -0.8913222419      2.9289680914      2.3879114303
 C     -1.8778082888      2.6574532447      1.7030349235
 C     -2.6250438262      2.0084376717      0.8137205653
 C     -3.0253177884      1.2282992035     -0.0633454203
 C     -3.0827805458      0.3155283759     -1.0841903115
 C     -2.9252682650     -0.5162245606     -1.9404020576
 C     -2.4208612436     -1.4894235165     -2.6852947021
 C     -1.4366208285     -2.1054443016     -3.1065089173
 C     -0.1895206209     -2.5999654309     -3.1696017650
 C      0.9299570638     -2.6648607390     -2.7124681201
 C      1.9052376852     -2.5202683214     -1.7986580473
 C      2.6655036318     -2.1008664646     -0.8932657516
 C      3.1180444415     -1.4596698275      0.1897482278
 C      3.1714300508     -0.7951207090      1.2303545893
 C      2.7885203142      0.0814941731      2.1653828802
 C      2.1656551860      1.0231518803      2.6105054859
18
# ORCA AIMD Position Step 767, t=767.00 fs, E_Pot=-685.23153182 Hartree, Unit is Angstrom
 C      1.3186701471      1.9526688824      3.0037907632
 C      0.3204220305      2.6294434662      2.9017251660
 C     -0.8951486227      2.9306405076      2.3891021497
 C     -1.8749220077      2.6538738945      1.7089223035
 C     -2.6245476705      2.0193531573      0.8131926655
 C     -3.0222609901      1.2345905265     -0.0613035590
 C     -3.0807152718      0.3178038258     -1.0887757945
 C     -2.9290617524     -0.5198393718     -1.9422234496
 C     -2.4256348397     -1.4876756934     -2.6876086643
 C     -1.4425641139     -2.1012970257     -3.1117086012
 C     -0.1856763602     -2.5892894033     -3.1693470325
 C      0.9311810009     -2.6601495675     -2.7185984920
 C      1.9042445556     -2.5235912364     -1.8065380992
 C      2.6666901663     -2.1053291485     -0.8862557490
 C      3.1178546985     -1.4645275665      0.1922868960
 C      3.1755058237     -0.7964535087      1.2318281356
 C      2.7904425935      0.0766275936      2.1721267185
 C      2.1662301754      1.0201221135      2.6080124253
18
# ORCA AIMD Position Step 768, t=768.00 fs, E_Pot=-685.23046489 Hartree, Unit is Angstrom
 C      1.3127066390      1.9437605609      3.0009851717
 C      0.3218705961      2.6236043876      2.9071043246
 C     -0.8991947993      2.9320360008      2.3903859778
 C     -1.8713131032      2.6507091335      1.7153699462
 C     -2.6251292934      2.0289565251      0.8110389135
 C     -3.0185472915      1.2412549244     -0.0591115151
 C     -3.0790553276      0.3216243385     -1.0917652092
 C     -2.9333769929     -0.5233550722     -1.9438590108
 C     -2.4287935898     -1.4870705467     -2.6910493991
 C     -1.4492623942     -2.0968798957     -3.1167938358
 C     -0.1832218675     -2.5783668826     -3.1694090879
 C      0.9334140075     -2.6556491316     -2.7240284494
 C      1.9056021125     -2.5258436278     -1.8124184496
 C      2.6658164540     -2.1109503759     -0.8818049161
 C      3.1178206985     -1.4688298951      0.1962883235
 C      3.1794530725     -0.7986975715      1.2319838352
 C      2.7927193636      0.0716966203      2.1784307614
 C      2.1674871849      1.0167626748      2.6061624196
18
# ORCA AIMD Position Step 769, t=769.00 fs, E_Pot=-685.23116458 Hartree, Unit is Angstrom
 C      1.3068813156      1.9350533255      2.9982815756
 C      0.3219841684      2.6184752686      2.9121969609
 C     -0.9028575535      2.9331991713      2.3921488276
 C     -1.8674159275      2.6478751866      1.7220673400
 C     -2.6267289888      2.0372917871      0.8073544802
 C     -3.0142313331      1.2481427308     -0.0569819472
 C     -3.0777569318      0.3268463976     -1.0932767431
 C     -2.9383118710     -0.5264292184     -1.9450057494
 C     -2.4304914926     -1.4875619688     -2.6955921128
 C     -1.4563168996     -2.0923805652     -3.1218532035
 C     -0.1824422570     -2.5671348541     -3.1698482227
 C      0.9366657865     -2.6513646998     -2.7287877703
 C      1.9095726696     -2.5269187701     -1.8159471846
 C      2.6627122939     -2.1178238429     -0.8801991550
 C      3.1179334186     -1.4726297909      0.2016766406
 C      3.1832612035     -0.8017830017      1.2309710732
 C      2.7954017719      0.0666248695      2.1841995092
 C      2.1694181625      1.0130642085      2.6049803632
18
# ORCA AIMD Position Step 770, t=770.00 fs, E_Pot=-685.23308566 Hartree, Unit is Angstrom
 C      1.3013640070      1.9264735602      2.9957042521
 C      0.3204988137      2.6142046939      2.9169391532
 C     -0.9055923112      2.9341932204      2.3947440763
 C     -1.8637551153      2.6452407367      1.7286080299
 C     -2.6291645121      2.0445464530      0.8024413049
 C     -3.0094284726      1.2550334914     -0.0551926939
 C     -3.0767643408      0.3331729053     -1.0935694569
 C     -2.9439216524     -0.5287190222     -1.9453470274
 C     -2.4310684084     -1.4889181561     -2.7010697517
 C     -1.4632420785     -2.0880593589     -3.1270205524
 C     -0.1832864790     -2.5555954322     -3.1706188975
 C      0.9407223241     -2.6472914523     -2.7329621418
 C      1.9161268209     -2.5268330311     -1.8170936215
 C      2.6574974222     -2.1258328742     -0.8813082544
 C      3.1181287593     -1.4761351622      0.2080932714
 C      3.1869108476     -0.8055449402      1.2290772089
 C      2.7985226747      0.0613733965      2.1893440480
 C      2.1720085784      1.0090165912      2.6044840973
18
# ORCA AIMD Position Step 771, t=771.00 fs, E_Pot=-685.23505752 Hartree, Unit is Angstrom
 C      1.2962166356      1.9180304970      2.9932654874
 C      0.3173832518      2.6108261404      2.9213113461
 C     -0.9070083930      2.9350837563      2.3984328417
 C     -1.8608412009      2.6426656658      1.7345745648
 C     -2.6321582130      2.0510264432      0.7967620535
 C     -3.0043056870      1.2616504572     -0.0540722964
 C     -3.0760217406      0.3402213341     -1.0929787073
 C     -2.9501998854     -0.5299497193     -1.9446218094
 C     -2.4310207917     -1.4907444769     -2.7071860337
 C     -1.4695181323     -2.0842117968     -3.1324615314
 C     -0.1853921081     -2.5438126678     -3.1715848460
 C      0.9451950803     -2.6434038554     -2.7366741827
 C      1.9249157395     -2.5257374159     -1.8161910585
 C      2.6505862637     -2.1346597627     -0.8845786824
 C      3.1182942991     -1.4796902736      0.2149452574
 C      3.1903820059     -0.8097368062      1.2267034955
 C      2.8020998891      0.0559313610      2.1937897267
 C      2.1752303500      1.0046157202      2.6046810048
18
# ORCA AIMD Position Step 772, t=772.00 fs, E_Pot=-685.23593579 Hartree, Unit is Angstrom
 C      1.2913838306      1.9098063220      2.9909657029
 C      0.3128423325      2.6082437172      2.9253411892
 C     -0.9069648455      2.9359177434      2.4033257795
 C     -1.8590490739      2.6400413360      1.7396381445
 C     -2.6353880426      2.0571101168      0.7908612512
 C     -2.9990516058      1.2677019646     -0.0539596853
 C     -3.0754795017      0.3475947967     -1.0918566042
 C     -2.9570832085     -0.5299565305     -1.9426693901
 C     -2.4309294474     -1.4925515866     -2.7135667353
 C     -1.4746727881     -2.0811139020     -3.1383530440
 C     -0.1881666560     -2.5318953780     -3.1725495180
 C      0.9496117976     -2.6396500531     -2.7400562259
 C      1.9352757226     -2.5239211419     -1.8139560355
 C      2.6426639690     -2.1438244221     -0.8890693522
 C      3.1182903756     -1.4837210885      0.2215159961
 C      3.1936626051     -0.8140723481      1.2243062128
 C      2.8061373170      0.0503113312      2.1974887467
 C      2.1790392497      0.9998660065      2.6055703416
18
# ORCA AIMD Position Step 773, t=773.00 fs, E_Pot=-685.23525146 Hartree, Unit is Angstrom
 C      1.2867293340      1.9019206257      2.9887925751
 C      0.3072716076      2.6062520377      2.9290992755
 C     -0.9056129573      2.9367085058      2.4093559190
 C     -1.8585398470      2.6373248190      1.7436281552
 C     -2.6385419225      2.0631779376      0.7852678314
 C     -2.9938465035      1.2729325490     -0.0551529055
 C     -3.0751044845      0.3549466341     -1.0905141800
 C     -2.9644596170     -0.5287119145     -1.9394566162
 C     -2.4313526024     -1.4938383286     -2.7198222079
 C     -1.4783652659     -2.0789682583     -3.1448449104
 C     -0.1909208043     -2.5199699151     -3.1733049490
 C      0.9535226460     -2.6359601491     -2.7432170469
 C      1.9462876032     -2.5217872781     -1.8114410877
 C      2.6346195957     -2.1527449230     -0.8935469461
 C      3.1179750776     -1.4886598990      0.2270977331
 C      3.1967512724     -0.8182788097      1.2223214305
 C      2.8106308325      0.0445388627      2.2004209843
 C      2.1833684005      0.9947907609      2.6071513346
18
# ORCA AIMD Position Step 774, t=774.00 fs, E_Pot=-685.23357985 Hartree, Unit is Angstrom
 C      1.2820885947      1.8944947976      2.9867232406
 C      0.3011843406      2.6045755529      2.9326881060
 C     -0.9033800882      2.9374324481      2.4162856548
 C     -1.8592396489      2.6345500535      1.7465587445
 C     -2.6413706886      2.0695363721      0.7804001743
 C     -2.9888302594      1.2771811478     -0.0578479109
 C     -3.0748807668      0.3620173335     -1.0891893306
 C     -2.9721842923     -0.5263193463     -1.9350767978
 C     -2.4327166807     -1.4941815809     -2.7256159995
 C     -1.4804603660     -2.0778534809     -3.1520222024
 C     -0.1929905599     -2.5081635188     -3.1736711447
 C      0.9565756891     -2.6322566833     -2.7462237867
 C      1.9569062930     -2.5197969424     -1.8098948538
 C      2.6274255494     -2.1608230666     -0.8966519341
 C      3.1172284849     -1.4948590278      0.2311278635
 C      3.1996547467     -0.8221583407      1.2210776142
 C      2.8155677762      0.0386535530      2.2025924309
 C      2.1881295266      0.9894325013      2.6094289470
18
# ORCA AIMD Position Step 775, t=775.00 fs, E_Pot=-685.23226944 Hartree, Unit is Angstrom
 C      1.2773371396      1.8876063830      2.9847257965
 C      0.2951253697      2.6029191202      2.9362261436
 C     -0.9008905397      2.9380375474      2.4237529595
 C     -1.8608897309      2.6318139685      1.7485924891
 C     -2.6437131489      2.0763596193      0.7765069123
 C     -2.9840791473      1.2804266106     -0.0620890208
 C     -3.0748118318      0.3686535911     -1.0880273543
 C     -2.9800920379     -0.5230022593     -1.9297411778
 C     -2.4352346075     -1.4932978518     -2.7307105595
 C     -1.4810734433     -2.0776977423     -3.1598738986
 C     -0.1938404483     -2.4965880659     -3.1735286489
 C      0.9585786718     -2.6284704621     -2.7490850867
 C      1.9661424520     -2.5183798483     -1.8105331117
 C      2.6219632838     -2.1675464659     -0.8971435517
 C      3.1159708185     -1.5025195955      0.2332912343
 C      3.2023838845     -0.8256401702      1.2207244181
 C      2.8209252678      0.0327114511      2.2040308524
 C      2.1932036224      0.9838625451      2.6124200226
18
# ORCA AIMD Position Step 776, t=776.00 fs, E_Pot=-685.23246602 Hartree, Unit is Angstrom
 C      1.2724165361      1.8812852463      2.9827709410
 C      0.2896141185      2.6010074085      2.9398301630
 C     -0.8988665512      2.9384600688      2.4313307525
 C     -1.8631119899      2.6292617051      1.7499975953
 C     -2.6455134744      2.0836492751      0.7736291560
 C     -2.9796029134      1.2828154240     -0.0677327072
 C     -3.0749144416      0.3747748917     -1.0871088845
 C     -2.9880068766     -0.5190657120     -1.9237468910
 C     -2.4388777736     -1.4910712513     -2.7349834410
 C     -1.4805508626     -2.0782803914     -3.1682809836
 C     -0.1931104843     -2.4853426525     -3.1728214530
 C      0.9594724603     -2.6245466130     -2.7517751753
 C      1.9732896376     -2.5178356913     -1.8142348306
 C      2.6188181141     -2.1725997670     -0.8942012684
 C      3.1141828451     -1.5116329003      0.2335969640
 C      3.2049474225     -0.8288130004      1.2211772954
 C      2.8266570033      0.0268018386      2.2047955439
 C      2.1984609633      0.9781617510      2.6161390220
18
# ORCA AIMD Position Step 777, t=777.00 fs, E_Pot=-685.23408247 Hartree, Unit is Angstrom
 C      1.2673861196      1.8754869518      2.9808306288
 C      0.2850566011      2.5986325901      2.9435901026
 C     -0.8979894989      2.9386362933      2.4385995129
 C     -1.8655045086      2.6270499322      1.7510672983
 C     -2.6468021864      2.0912377781      0.7716250195
 C     -2.9753520131      1.2846480935     -0.0744528567
 C     -3.0752184213      0.3803768285     -1.0864427373
 C     -2.9957433347     -0.5148909503     -1.9174732075
 C     -2.4433869225     -1.4875496178     -2.7384205220
 C     -1.4794208276     -2.0792599959     -3.1770156219
 C     -0.1906976543     -2.4745070308     -3.1715808553
 C      0.9593771978     -2.6204632962     -2.7542172738
 C      1.9781063838     -2.5182315826     -1.8212534551
 C      2.6180946764     -2.1759644580     -0.8877154295
 C      3.1119135508     -1.5219712070      0.2323678651
 C      3.2073451892     -0.8319011612      1.2221537489
 C      2.8326896710      0.0210444010      2.2049613626
 C      2.2037484743      0.9724323741      2.6205955121
18
# ORCA AIMD Position Step 778, t=778.00 fs, E_Pot=-685.23574227 Hartree, Unit is Angstrom
 C      1.2624173093      1.8700932818      2.9788820414
 C      0.2816911927      2.5956788807      2.9475543653
 C     -0.8987853615      2.9385123522      2.4452172219
 C     -1.8677183494      2.6253184903      1.7520639407
 C     -2.6476730596      2.0988335292      0.7702154315
 C     -2.9712365731      1.2863402963     -0.0817824908
 C     -3.0757594055      0.3855025423     -1.0859955155
 C     -3.0031206619     -0.5108941690     -1.9113403825
 C     -2.4483411129     -1.4829070550     -2.7410916691
 C     -1.4782877690     -2.0802304828     -3.1857774379
 C     -0.1867784244     -2.4641279645     -3.1699207166
 C      0.9585703129     -2.6162313679     -2.7562991719
 C      1.9808646906     -2.5193884104     -1.8311237368
 C      2.6193770545     -2.1779404968     -0.8783795787
 C      3.1092822787     -1.5331254114      0.2301873170
 C      3.2095702275     -0.8352150335      1.2232424656
 C      2.8389228752      0.0155837200      2.2046173288
 C      2.2089088155      0.9667774632      2.6257829612
18
# ORCA AIMD Position Step 779, t=779.00 fs, E_Pot=-685.23594626 Hartree, Unit is Angstrom
 C      1.2577604026      1.8649231278      2.9769077839
 C      0.2795544126      2.5921288793      2.9517244452
 C     -0.9015412975      2.9380451346      2.4509773811
 C     -1.8695164709      2.6241668606      1.7531754595
 C     -2.6482501403      2.1060964342      0.7690538187
 C     -2.9671465891      1.2883575469     -0.0891962588
 C     -3.0765726976      0.3902221426     -1.0857168911
 C     -3.0099853053     -0.5074733554     -1.9057545249
 C     -2.4532546336     -1.4773862280     -2.7431207360
 C     -1.4777175049     -2.0807878392     -3.1942490341
 C     -0.1817872150     -2.4541993225     -3.1680227322
 C      0.9574488327     -2.6118873910     -2.7578894050
 C      1.9822257130     -2.5209533362     -1.8428296851
 C      2.6218661109     -2.1790712082     -0.8675108274
 C      3.1064638877     -1.5445901999      0.2277924712
 C      3.2116130299     -0.8390809709      1.2240089376
 C      2.8452420939      0.0105705255      2.2038565891
 C      2.2138072998      0.9612740897      2.6316761646
18
# ORCA AIMD Position Step 780, t=780.00 fs, E_Pot=-685.23426574 Hartree, Unit is Angstrom
 C      1.2537009470      1.8597586714      2.9748969062
 C      0.2784885209      2.5880500456      2.9560581040
 C     -0.9062732531      2.9372013833      2.4558373047
 C     -1.8708070722      2.6236420667      1.7544872157
 C     -2.6486530594      2.1127110437      0.7678015875
 C     -2.9629741170      1.2911424361     -0.0962012332
 C     -3.0776896182      0.3946060208     -1.0855642146
 C     -3.0162245673     -0.5049594406     -1.9010578478
 C     -2.4576642109     -1.4712400805     -2.7446512714
 C     -1.4781468353     -2.0805829845     -3.2021409123
 C     -0.1763551478     -2.4446568529     -3.1661127358
 C      0.9564738516     -2.6074828594     -2.7588535721
 C      1.9830193511     -2.5225153397     -1.8551219564
 C      2.6246111265     -2.1800097343     -0.8567050075
 C      3.1036633712     -1.5558613195      0.2259445700
 C      3.2134648656     -0.8437700316      1.2241001367
 C      2.8515331968      0.0061428979      2.2027614452
 C      2.2183519955      0.9559538823      2.6382323743
18
# ORCA AIMD Position Step 781, t=781.00 fs, E_Pot=-685.23156053 Hartree, Unit is Angstrom
 C      1.2505058081      1.8543849159      2.9728458841
 C      0.2782042478      2.5835593585      2.9604813231
 C     -0.9127602829      2.9359576069      2.4599049128
 C     -1.8716435756      2.6237375369      1.7559753858
 C     -2.6489714773      2.1184403895      0.7661889683
 C     -2.9586300069      1.2950640681     -0.1023941638
 C     -3.0791347462      0.3986883530     -1.0855362217
 C     -3.0217753993     -0.5035667035     -1.8974811474
 C     -2.4611839190     -1.4646983483     -2.7458265398
 C     -1.4798462597     -2.0793502477     -3.2092215366
 C     -0.1711872106     -2.4353953645     -3.1644200599
 C      0.9560828742     -2.6030714454     -2.7590829213
 C      1.9840484786     -2.5237009706     -1.8668043159
 C      2.6267163500     -2.1813943789     -0.8475130978
 C      3.1010887704     -1.5665119886      0.2253213311
 C      3.2151199770     -0.8494526986      1.2233061245
 C      2.8576861362      0.0024242747      2.2014005735
 C      2.2225086385      0.9507873445      2.6453889499
18
# ORCA AIMD Position Step 782, t=782.00 fs, E_Pot=-685.22933416 Hartree, Unit is Angstrom
 C      1.2483801001      1.8486281907      2.9707615619
 C      0.2783458067      2.5787927425      2.9649013234
 C     -0.9205878019      2.9342965186      2.4634123912
 C     -1.8722165527      2.6244028223      1.7575106392
 C     -2.6492447516      2.1231551107      0.7640582583
 C     -2.9540611074      1.3003661538     -0.1075179093
 C     -3.0809226382      0.4024555268     -1.0856738631
 C     -3.0266132124     -0.5033809241     -1.8951354244
 C     -2.4635362367     -1.4579401200     -2.7467658293
 C     -1.4829235008     -2.0769121397     -3.2153222636
 C     -0.1669443443     -2.4262949539     -3.1631475403
 C      0.9566138166     -2.5986978061     -2.7585142530
 C      1.9859762090     -2.5242234847     -1.8768961798
 C      2.6274723834     -2.1837509790     -0.8412068242
 C      3.0989125605     -1.5762591799      0.2264023807
 C      3.2165740274     -0.8561724913      1.2215949400
 C      2.8636024948     -0.0004837961      2.1998222589
 C      2.2263038646      0.9456831982      2.6530634547
18
# ORCA AIMD Position Step 783, t=783.00 fs, E_Pot=-685.22881209 Hartree, Unit is Angstrom
 C      1.2474263172      1.8423972992      2.9686638037
 C      0.2785752657      2.5738621408      2.9692159766
 C     -0.9292127893      2.9322123601      2.4666713723
 C     -1.8728113869      2.6255574632      1.7588884656
 C     -2.6494620286      2.1268401973      0.7613786381
 C     -2.9492664032      1.3071324150     -0.1114857437
 C     -3.0830533094      0.4058357357     -1.0860631053
 C     -3.0307476054     -0.5043389310     -1.8939955911
 C     -2.4645556337     -1.4510992607     -2.7475623868
 C     -1.4873290784     -2.0731838111     -3.2203372495
 C     -0.1641152296     -2.4172568950     -3.1624269979
 C      0.9581989975     -2.5943866502     -2.7571694726
 C      1.9892771895     -2.5238990034     -1.8846967145
 C      2.6264288380     -2.1874280932     -0.8386399005
 C      3.0972394208     -1.5849989055      0.2293906906
 C      3.2178245068     -0.8638393671      1.2191102847
 C      2.8691899590     -0.0024970327      2.1980595457
 C      2.2298148823      0.9405024412      2.6611470055
18
# ORCA AIMD Position Step 784, t=784.00 fs, E_Pot=-685.23027473 Hartree, Unit is Angstrom
 C      1.2476181559      1.8357175251      2.9665898486
 C      0.2786370375      2.5688337278      2.9733206556
 C     -0.9380311721      2.9297125909      2.4700170106
 C     -1.8737596170      2.6271035509      1.7598614818
 C     -2.6495624732      2.1295919370      0.7582560640
 C     -2.9443078802      1.3152634040     -0.1143836293
 C     -3.0855077229      0.4087091280     -1.0868176377
 C     -3.0342108899     -0.5062415991     -1.8939170877
 C     -2.4641907658     -1.4442740259     -2.7482787281
 C     -1.4928821547     -2.0681731515     -3.2242173036
 C     -0.1629274315     -2.4082410648     -3.1622966874
 C      0.9607249206     -2.5901411236     -2.7551681684
 C      1.9942064603     -2.5226475348     -1.8898015577
 C      2.6234275984     -2.1925535930     -0.8401682911
 C      3.0960813205     -1.5928204930      0.2341497604
 C      3.2188706350     -0.8722251145      1.2161590601
 C      2.8743574665     -0.0035489198      2.1961391774
 C      2.2331557055      0.9350788560      2.6694932242
18
# ORCA AIMD Position Step 785, t=785.00 fs, E_Pot=-685.23291357 Hartree, Unit is Angstrom
 C      1.2487956042      1.8287330172      2.9645934142
 C      0.2783923437      2.5637143406      2.9771136560
 C     -0.9464539543      2.9268133238      2.4737557796
 C     -1.8753727151      2.6289459560      1.7601934072
 C     -2.6494457806      2.1316128931      0.7549235280
 C     -2.9393130743      1.3244635216     -0.1164776069
 C     -3.0882455725      0.4109400120     -1.0880475731
 C     -3.0370550281     -0.5087797615     -1.8946593747
 C     -2.4625156155     -1.4375233376     -2.7489404383
 C     -1.4992753843     -2.0619875089     -3.2269769869
 C     -0.1633138587     -2.3992766632     -3.1626912759
 C      0.9638338654     -2.5859389053     -2.7527237009
 C      2.0007653578     -2.5204996955     -1.8921475445
 C      2.6186275793     -2.1990144341     -0.8455881410
 C      3.0953477259     -1.6000044028      0.2401936234
 C      3.2197156451     -0.8809774921      1.2131841491
 C      2.8790270385     -0.0036099257      2.1940812395
 C      2.2364522081      0.9292540209      2.6779296408
18
# ORCA AIMD Position Step 786, t=786.00 fs, E_Pot=-685.23526514 Hartree, Unit is Angstrom
 C      1.2506898276      1.8216715096      2.9627361105
 C      0.2778211305      2.5584467144      2.9805106578
 C     -0.9540034885      2.9235248314      2.4781154191
 C     -1.8778698576      2.6310157836      1.7597228266
 C     -2.6489915446      2.1331932969      0.7517023373
 C     -2.9344575852      1.3342784497     -0.1181927009
 C     -3.0912099449      0.4124200982     -1.0898294759
 C     -3.0393511375     -0.5115842313     -1.8959265357
 C     -2.4597321725     -1.4308486212     -2.7495317486
 C     -1.5060960407     -2.0548251647     -3.2287049694
 C     -0.1649496966     -2.3904413827     -3.1634568763
 C      0.9669996944     -2.5817286151     -2.7501068906
 C      2.0086767551     -2.5176010757     -1.8920731504
 C      2.6124962104     -2.2064807135     -0.8541347839
 C      3.0948618748     -1.6069850934      0.2467722783
 C      3.2203686933     -0.8896725668      1.2107037741
 C      2.8831571804     -0.0027089482      2.1918904890
 C      2.2398180292      0.9229074016      2.6862910326
18
# ORCA AIMD Position Step 787, t=787.00 fs, E_Pot=-685.23598146 Hartree, Unit is Angstrom
 C      1.2529784536      1.8147905100      2.9610786600
 C      0.2769970279      2.5529212239      2.9834509920
 C     -0.9603883595      2.9198360077      2.4832084764
 C     -1.8813198563      2.6332923195      1.7584148333
 C     -2.6480840693      2.1346650433      0.7489404331
 C     -2.9299372806      1.3441698384     -0.1200535928
 C     -3.0943374672      0.4131007127     -1.0921869618
 C     -3.0411852485     -0.5142864727     -1.8974186399
 C     -2.4561530060     -1.4241812853     -2.7499929663
 C     -1.5128551351     -2.0469537252     -3.2295604394
 C     -0.1673534716     -2.3818310785     -3.1643878551
 C      0.9696453145     -2.5774345838     -2.7475917642
 C      2.0173846340     -2.5142079172     -1.8903484074
 C      2.6057637310     -2.2144643479     -0.8645585190
 C      3.0944015126     -1.6142645827      0.2530363543
 C      3.2208436127     -0.8978907748      1.2092245170
 C      2.8867598483     -0.0009452794      2.1895467438
 C      2.2433264377      0.9159836088      2.6944540740
18
# ORCA AIMD Position Step 788, t=788.00 fs, E_Pot=-685.23459286 Hartree, Unit is Angstrom
 C      1.2553484004      1.8083246937      2.9596749117
 C      0.2760427283      2.5470008722      2.9858965659
 C     -0.9655269118      2.9157053494      2.4890177354
 C     -1.8856163897      2.6358134524      1.7563870221
 C     -2.6466397127      2.1363381045      0.7469364057
 C     -2.9259396953      1.3536032385     -0.1225975810
 C     -3.0975656679      0.4130104234     -1.0950812841
 C     -3.0426482305     -0.5165696399     -1.8988770316
 C     -2.4521663199     -1.4173897624     -2.7502264348
 C     -1.5190225280     -2.0386814024     -3.2297546720
 C     -0.1700104056     -2.3735352806     -3.1652709985
 C      0.9712537626     -2.5729692468     -2.7454091548
 C      2.0260940664     -2.5106674721     -1.8881327139
 C      2.5993468271     -2.2223934125     -0.8752661724
 C      3.0937485769     -1.6222987182      0.2582249315
 C      3.2211514149     -0.9052975627      1.2091427868
 C      2.8899045059      0.0015121414      2.1869982131
 C      2.2469880816      0.9085127411      2.7023582272
18
# ORCA AIMD Position Step 789, t=789.00 fs, E_Pot=-685.23191440 Hartree, Unit is Angstrom
 C      1.2575483805      1.8024464196      2.9585684678
 C      0.2750832891      2.5405495275      2.9878270895
 C     -0.9695228832      2.9110630691      2.4954107715
 C     -1.8904915057      2.6386716651      1.7539021751
 C     -2.6446321971      2.1384325589      0.7458648640
 C     -2.9226171282      1.3621343685     -0.1262827009
 C     -3.1008401330      0.4122590287     -1.0984118669
 C     -3.0438277521     -0.5182012908     -1.9001146929
 C     -2.4481845982     -1.4103037776     -2.7501134627
 C     -1.5240693823     -2.0303225223     -3.2295218913
 C     -0.1724774033     -2.3656193608     -3.1659230916
 C      0.9714422994     -2.5682470920     -2.7437201752
 C      2.0338796067     -2.5073699542     -1.8868269010
 C      2.5942279830     -2.2296990917     -0.8845317261
 C      3.0927311919     -1.6313923252      0.2618239337
 C      3.2212912400     -0.9117163772      1.2106554161
 C      2.8927109864      0.0044369990      2.1841631204
 C      2.2507408775      0.9006150862      2.7100111724
18
# ORCA AIMD Position Step 790, t=790.00 fs, E_Pot=-685.22973084 Hartree, Unit is Angstrom
 C      1.2594219869      1.7972439087      2.9577921368
 C      0.2742095956      2.5334552575      2.9892336233
 C     -0.9726064591      2.9058226292      2.5021757911
 C     -1.8955616164      2.6419973387      1.7513321179
 C     -2.6421093098      2.1410257310      0.7457186226
 C     -2.9200649769      1.3694742189     -0.1314089635
 C     -3.1041195022      0.4110313139     -1.1020224251
 C     -3.0448040860     -0.5190454308     -1.9010282243
 C     -2.4445838518     -1.4027554271     -2.7495424274
 C     -1.5275197671     -2.0221586608     -3.2290843499
 C     -0.1744525302     -2.3581172570     -3.1662170757
 C      0.9699944909     -2.5631972674     -2.7426104189
 C      2.0398662470     -2.5046707928     -1.8877931555
 C      2.5912808220     -2.2359135320     -0.8907987893
 C      3.0912512120     -1.6416297627      0.2636605488
 C      3.2212439979     -0.9171719470      1.2137063033
 C      2.8953323281      0.0075683735      2.1809387329
 C      2.2544543605      0.8924902888      2.7174795318
18
# ORCA AIMD Position Step 791, t=791.00 fs, E_Pot=-685.22961992 Hartree, Unit is Angstrom
 C      1.2609188334      1.7927198828      2.9573693693
 C      0.2734541453      2.5256549382      2.9901120636
 C     -0.9750594689      2.8999009638      2.5090606478
 C     -1.9003864627      2.6459309500      1.7491044497
 C     -2.6391984842      2.1440264696      0.7462872748
 C     -2.9183137859      1.3755157121     -0.1380657081
 C     -3.1073732241      0.4095768784     -1.1057073977
 C     -3.0456468661     -0.5190592327     -1.9015959036
 C     -2.4416438089     -1.3946346469     -2.7484441860
 C     -1.5290074300     -2.0144071744     -3.2286170366
 C     -0.1758092842     -2.3510371581     -3.1660954975
 C      0.9668674614     -2.5577787440     -2.7420970901
 C      2.0434418384     -2.5028014075     -1.8919845591
 C      2.5910707071     -2.2407623463     -0.8930443529
 C      3.0892976422     -1.6528474556      0.2639200400
 C      3.2209715282     -0.9218832689      1.2179867178
 C      2.8979293157      0.0106364378      2.1772201200
 C      2.2579452215      0.8843991642      2.7248617403
18
# ORCA AIMD Position Step 792, t=792.00 fs, E_Pot=-685.23164484 Hartree, Unit is Angstrom
 C      1.2620880651      1.7888052932      2.9573157778
 C      0.2727807420      2.5171589130      2.9904619316
 C     -0.9771443091      2.8932462151      2.5158069931
 C     -1.9045334945      2.6505858946      1.7476380003
 C     -2.6360964602      2.1471856843      0.7471795678
 C     -2.9173311514      1.3803221349     -0.1461109132
 C     -3.1105775988      0.4081951078     -1.1092203649
 C     -3.0464148197     -0.5182821249     -1.9018652378
 C     -2.4394951114     -1.3859487038     -2.7468283256
 C     -1.5283344202     -2.0071986811     -3.2282178190
 C     -0.1766052709     -2.3443735192     -3.1655778601
 C      0.9621941609     -2.5519973602     -2.7421369153
 C      2.0444372736     -2.5017959696     -1.8996087430
 C      2.5936830416     -2.2442342156     -0.8910966229
 C      3.0869476779     -1.6646488543      0.2630942683
 C      3.2204250607     -0.9262075480      1.2229890770
 C      2.9006398875      0.0133901714      2.1729281998
 C      2.2610035353      0.8766376136      2.7322465710
18
# ORCA AIMD Position Step 793, t=793.00 fs, E_Pot=-685.23428612 Hartree, Unit is Angstrom
 C      1.2630622729      1.7853700059      2.9576401635
 C      0.2720864267      2.5080533554      2.9902886361
 C     -0.9790528948      2.8858495381      2.5221924886
 C     -1.9076537208      2.6560184791      1.7472671593
 C     -2.6330329004      2.1501529485      0.7478950227
 C     -2.9170285689      1.3840993666     -0.1552019132
 C     -3.1137178588      0.4072068738     -1.1122982583
 C     -3.0471604831     -0.5168190152     -1.9019340307
 C     -2.4380834469     -1.3768476738     -2.7448037223
 C     -1.5255209428     -2.0005487558     -3.2278916482
 C     -0.1770729501     -2.3381017508     -3.1647598393
 C      0.9562800616     -2.5459078266     -2.7426298076
 C      2.0431802506     -2.5014829518     -1.9100330296
 C      2.5986793326     -2.2465927854     -0.8857244516
 C      3.0843520385     -1.6764832034      0.2618799329
 C      3.2195571579     -0.9305602393      1.2281120311
 C      2.9035514054      0.0156367721      2.1680316536
 C      2.2634378214      0.8694811327      2.7396850695
18
# ORCA AIMD Position Step 794, t=794.00 fs, E_Pot=-685.23577135 Hartree, Unit is Angstrom
 C      1.2640288426      1.7822400093      2.9583419664
 C      0.2712196891      2.4984688856      2.9896080322
 C     -0.9808788833      2.8777361043      2.5280756534
 C     -1.9095532254      2.6622164301      1.7481728705
 C     -2.6302183536      2.1525623390      0.7479310417
 C     -2.9172791248      1.3871498255     -0.1648793725
 C     -3.1167908683      0.4069148457     -1.1147015482
 C     -3.0479313324     -0.5148078590     -1.9019245666
 C     -2.4371770049     -1.3675967361     -2.7425705113
 C     -1.5208081005     -1.9943473011     -3.2275549284
 C     -0.1775807676     -2.3321740951     -3.1638021419
 C      0.9495694742     -2.5395990904     -2.7434244515
 C      2.0403684797     -2.5015508207     -1.9220175870
 C      2.6052370002     -2.2482932682     -0.8783930467
 C      3.0817062259     -1.6877723183      0.2610374563
 C      3.2183318414     -0.9353332630      1.2327901602
 C      2.9066831525      0.0172759322      2.1625589095
 C      2.2651232133      0.8631185962      2.7471793989
18
# ORCA AIMD Position Step 795, t=795.00 fs, E_Pot=-685.23543207 Hartree, Unit is Angstrom
 C      1.2651885422      1.7792269271      2.9594176257
 C      0.2700113805      2.4885461539      2.9884458333
 C     -0.9826097573      2.8689507151      2.5334149162
 C     -1.9102283591      2.6690960006      1.7503442733
 C     -2.6277954055      2.1541134089      0.7468849430
 C     -2.9179422938      1.3898140873     -0.1746581473
 C     -3.1198070741      0.4075611851     -1.1162516815
 C     -3.0487718021     -0.5123826275     -1.9019538249
 C     -2.4364205410     -1.3585225751     -2.7403845556
 C     -1.5146077997     -1.9883803224     -3.2270616858
 C     -0.1785625174     -2.3265199863     -3.1629023515
 C      0.9425910012     -2.5331741685     -2.7443345284
 C      2.0368400346     -2.5016520038     -1.9341224173
 C      2.6123920390     -2.2498606862     -0.8708278303
 C      3.0792106727     -1.6980224586      0.2612532499
 C      3.2167294708     -0.9408232501      1.2366007213
 C      2.9099802781      0.0183138094      2.1565964783
 C      2.2660322347      0.8576099005      2.7546737467
18
# ORCA AIMD Position Step 796, t=796.00 fs, E_Pot=-685.23388170 Hartree, Unit is Angstrom
 C      1.2667131722      1.7761649070      2.9608617796
 C      0.2683148767      2.4784042951      2.9868406388
 C     -0.9841391990      2.8595509731      2.5382625194
 C     -1.9098609373      2.6765066661      1.7535790672
 C     -2.6258123139      2.1546227210      0.7445197553
 C     -2.9188876081      1.3924198639     -0.1840948857
 C     -3.1227894709      0.4092931962     -1.1168569740
 C     -3.0497217866     -0.5096410079     -1.9021069974
 C     -2.4354125193     -1.3499566854     -2.7385121845
 C     -1.5074329239     -1.9823754114     -3.2262414173
 C     -0.1804220887     -2.3210650400     -3.1622585241
 C      0.9358864434     -2.5267342287     -2.7451647169
 C      2.0333750958     -2.5014780503     -1.9450379679
 C      2.6192498040     -2.2517790011     -0.8646303483
 C      3.0770313398     -1.7068961782      0.2630293827
 C      3.2147474607     -0.9471884222      1.2393172200
 C      2.9133196618      0.0188525878      2.1502826547
 C      2.2662427771      0.8528796710      2.7620482587
18
# ORCA AIMD Position Step 797, t=797.00 fs, E_Pot=-685.23228289 Hartree, Unit is Angstrom
 C      1.2687052335      1.7729399732      2.9626736910
 C      0.2660480660      2.4681213682      2.9848419743
 C     -0.9853072460      2.8495988784      2.5427272250
 C     -1.9087783732      2.6842503720      1.7575230135
 C     -2.6242221277      2.1540440712      0.7407897920
 C     -2.9200100133      1.3952425193     -0.1928254754
 C     -3.1257621818      0.4121445644     -1.1165314143
 C     -3.0508145981     -0.5066208951     -1.9024191206
 C     -2.4337824864     -1.3421838723     -2.7371896136
 C     -1.4998384902     -1.9760531213     -3.2249359387
 C     -0.1834257795     -2.3157555905     -3.1620376205
 C      0.9299277988     -2.5203672406     -2.7457417811
 C      2.0305831968     -2.5007967668     -1.9537510094
 C      2.6251142940     -2.2544141728     -0.8610328843
 C      3.0752750124     -1.7142492344      0.2666007415
 C      3.2123971154     -0.9544385254      1.2409131112
 C      2.9165272194      0.0190653096      2.1438016501
 C      2.2659264040      0.8487376197      2.7691265352
18
# ORCA AIMD Position Step 798, t=798.00 fs, E_Pot=-685.23154008 Hartree, Unit is Angstrom
 C      1.2711789521      1.7695048014      2.9648564729
 C      0.2632207618      2.4577258186      2.9825119074
 C     -0.9859405973      2.8391616959      2.5469422008
 C     -1.9073961281      2.6920962949      1.7617204888
 C     -2.6228965209      2.1524656125      0.7358336257
 C     -2.9212357201      1.3984922916     -0.2005766711
 C     -3.1287494664      0.4160267896     -1.1153963880
 C     -3.0520698041     -0.5033041629     -1.9028791929
 C     -2.4312521028     -1.3354073608     -2.7365842112
 C     -1.4923773672     -1.9691607170     -3.2230270910
 C     -0.1876195840     -2.3105807641     -3.1623421352
 C      0.9250605460     -2.5141376105     -2.7459429820
 C      2.0288605392     -2.4994625275     -1.9595996983
 C      2.6295391957     -2.2579736189     -0.8607897671
 C      3.0739654658     -1.7201478964      0.2718894208
 C      3.2097048462     -0.9624346007      1.2415477674
 C      2.9193984604      0.0191609057      2.1373678914
 C      2.2653205362      0.8449184893      2.7756877475
18
# ORCA AIMD Position Step 799, t=799.00 fs, E_Pot=-685.23185031 Hartree, Unit is Angstrom
 C      1.2740459644      1.7658914561      2.9674157059
 C      0.2599605579      2.4471938123      2.9799306958
 C     -0.9859131288      2.8283172669      2.5510161171
 C     -1.9061441548      2.6998023147      1.7656902384
 C     -2.6216498480      2.1500959437      0.7299480689
 C     -2.9225255376      1.4023009436     -0.2071726852
 C     -3.1317692516      0.4207275793     -1.1136790885
 C     -3.0534898194     -0.4996214032     -1.9034313282
 C     -2.4276898946     -1.3297164603     -2.7367667831
 C     -1.4855620373     -1.9615107577     -3.2204607950
 C     -0.1927531259     -2.3055919681     -3.1631862584
 C      0.9214318930     -2.5080796806     -2.7457251974
 C      2.0283914651     -2.4974109706     -1.9622620000
 C      2.6323390304     -2.2624955420     -0.8641448612
 C      3.0730404448     -1.7248528480      0.2784989147
 C      3.2067103529     -0.9709097958      1.2415280636
 C      2.9217240697      0.0193512608      2.1312116062
 C      2.2647016279      0.8411220749      2.7814858505
18
# ORCA AIMD Position Step 800, t=800.00 fs, E_Pot=-685.23276737 Hartree, Unit is Angstrom
 C      1.2771465556      1.7621828305      2.9703546399
 C      0.2564959976      2.4364666588      2.9771953192
 C     -0.9851932257      2.8171518855      2.5549968030
 C     -1.9053961416      2.7071342104      1.7689918795
 C     -2.6202652017      2.1472385162      0.7235526924
 C     -2.9238743924      1.4067186052     -0.2125379753
 C     -3.1348335151      0.4259548154     -1.1116723186
 C     -3.0550544508     -0.4954861298     -1.9040041563
 C     -2.4231359453     -1.3250764778     -2.7376991564
 C     -1.4798190807     -1.9530005220     -3.2172593581
 C     -0.1983132132     -2.3008999403     -3.1644997662
 C      0.9190143394     -2.5021982609     -2.7451163960
 C      2.0291495213     -2.4946517114     -1.9617366027
 C      2.6335674974     -2.2678602315     -0.8708701748
 C      3.0723624031     -1.7287980271      0.2857529263
 C      3.2034687498     -0.9794873300      1.2412775320
 C      2.9233182132      0.0198138564      2.1255554857
 C      2.2643366354      0.8370723616      2.7862828387
18
# ORCA AIMD Position Step 801, t=801.00 fs, E_Pot=-685.23354501 Hartree, Unit is Angstrom
 C      1.2802772399      1.7584916985      2.9736729549
 C      0.2531338636      2.4254575079      2.9744168360
 C     -0.9838873423      2.8057539010      2.5588382519
 C     -1.9054008850      2.7138918946      1.7713033939
 C     -2.6185212101      2.1442585682      0.7171368045
 C     -2.9253097824      1.4117165059     -0.2167005762
 C     -3.1379473962      0.4313697785     -1.1097053830
 C     -3.0567215502     -0.4908114633     -1.9045251346
 C     -2.4178161652     -1.3213146214     -2.7392287001
 C     -1.4754403155     -1.9436270577     -3.2135237620
 C     -0.2035828966     -2.2966576714     -3.1661425790
 C      0.9176136782     -2.4964710824     -2.7442108016
 C      2.0309038657     -2.4912653883     -1.9583518276
 C      2.6335061610     -2.2738227076     -0.8803024506
 C      3.0717500002     -1.7325106563      0.2928175890
 C      3.2000404020     -0.9877450278      1.2412629728
 C      2.9240477387      0.0206612826      2.1205823419
 C      2.2644479564      0.8325548477      2.7898846104
18
# ORCA AIMD Position Step 802, t=802.00 fs, E_Pot=-685.23353777 Hartree, Unit is Angstrom
 C      1.2832472515      1.7549167842      2.9773664631
 C      0.2502031200      2.4140711750      2.9717091739
 C     -0.9822387455      2.7942044199      2.5623992565
 C     -1.9062517219      2.7199217615      1.7724542578
 C     -2.6162112887      2.1415443446      0.7112075105
 C     -2.9268878341      1.4171952463     -0.2197863186
 C     -3.1411127093      0.4366539616     -1.1080870228
 C     -3.0584311555     -0.4855392972     -1.9049485435
 C     -2.4121316464     -1.3181278744     -2.7410990483
 C     -1.4725198524     -1.9334939785     -3.2094277106
 C     -0.2077896093     -2.2930257971     -3.1679410997
 C      0.9169517529     -2.4908578463     -2.7431321568
 C      2.0332187338     -2.4873989981     -1.9527694143
 C      2.6326414946     -2.2800520455     -0.8914117909
 C      3.0710136350     -1.7365228428      0.2988485028
 C      3.1964811734     -0.9952834604      1.2419172941
 C      2.9238548662      0.0219133163      2.1164026255
 C      2.2651692905      0.8274608690      2.7921765367
18
# ORCA AIMD Position Step 803, t=803.00 fs, E_Pot=-685.23252882 Hartree, Unit is Angstrom
 C      1.2859307026      1.7515045856      2.9814267238
 C      0.2479960168      2.4022269849      2.9691806027
 C     -0.9806020250      2.7825716842      2.5654578123
 C     -1.9078854329      2.7251197760      1.7724312828
 C     -2.6131631653      2.1394635319      0.7062312588
 C     -2.9286828789      1.4230130071     -0.2219851343
 C     -3.1443308436      0.4415536929     -1.1070662870
 C     -3.0601123723     -0.4796565877     -1.9052713539
 C     -2.4066193979     -1.3151113684     -2.7429762431
 C     -1.4709256892     -1.9228050226     -3.2052008524
 C     -0.2102568243     -2.2901373781     -3.1697283826
 C      0.9167546045     -2.4853130521     -2.7419979244
 C      2.0354797974     -2.4832518363     -1.9459488638
 C      2.6316215410     -2.2861798406     -0.9029082132
 C      3.0699920547     -1.7412693838      0.3031502979
 C      3.1928314917     -1.0018066623      1.2435486593
 C      2.9227650407      0.0234898725      2.1130407690
 C      2.2665234490      0.8218103694      2.7931424551
18
# ORCA AIMD Position Step 804, t=804.00 fs, E_Pot=-685.23088703 Hartree, Unit is Angstrom
 C      1.2882985065      1.7482266161      2.9858397840
 C      0.2467087739      2.3898813230      2.9669219547
 C     -0.9793753296      2.7709060977      2.5677518735
 C     -1.9101158866      2.7294262452      1.7713519378
 C     -2.6092552056      2.1383230063      0.7025834128
 C     -2.9307762800      1.4290104514     -0.2235160979
 C     -3.1476026305      0.4459251970     -1.1067949800
 C     -3.0616915986     -0.4732038243     -1.9055411867
 C     -2.4018992002     -1.3118017039     -2.7444885529
 C     -1.4702928631     -1.9118506329     -3.2011084446
 C     -0.2105332750     -2.2880693997     -3.1713766632
 C      0.9168228129     -2.4797986972     -2.7408886342
 C      2.0369571244     -2.4790526158     -1.9390506772
 C      2.6311895803     -2.2918443207     -0.9133753426
 C      3.0685754579     -1.7470021352      0.3052996503
 C      3.1891079243     -1.0071883591      1.2462612142
 C      2.9208891611      0.0252060258      2.1104257375
 C      2.2684127538      0.8157617931      2.7928727062
18
# ORCA AIMD Position Step 805, t=805.00 fs, E_Pot=-685.22953387 Hartree, Unit is Angstrom
 C      1.2904324551      1.7449751132      2.9905896257
 C      0.2464000872      2.3770478669      2.9649961728
 C     -0.9789285646      2.7592414169      2.5690252445
 C     -1.9126808430      2.7328141043      1.7694195355
 C     -2.6044301152      2.1383332628      0.7005029828
 C     -2.9332395013      1.4350419982     -0.2245782611
 C     -3.1509315413      0.4497533013     -1.1073108413
 C     -3.0631039162     -0.4662755940     -1.9058549894
 C     -2.3985890690     -1.3077418804     -2.7452757487
 C     -1.4700801976     -1.9009707658     -3.1974187150
 C     -0.2084678304     -2.2868262713     -3.1728180826
 C      0.9170765182     -2.4742952386     -2.7398349800
 C      2.0369188100     -2.4750249410     -1.9332533347
 C      2.6320758310     -2.2967357718     -0.9214688022
 C      3.0667201208     -1.7537434528      0.3052084970
 C      3.1853012482     -1.0115042070      1.2499155522
 C      2.9184135014      0.0267832101      2.1083973731
 C      2.2706281886      0.8096012064      2.7915583470
18
# ORCA AIMD Position Step 806, t=806.00 fs, E_Pot=-685.22949132 Hartree, Unit is Angstrom
 C      1.2925119830      1.7415773103      2.9956548853
 C      0.2469689172      2.3638142912      2.9634347092
 C     -0.9795330394      2.7476007144      2.5690719988
 C     -1.9152912323      2.7352803095      1.7668808318
 C     -2.5987117076      2.1395812433      0.7000584028
 C     -2.9361164983      1.4410021239     -0.2253072630
 C     -3.1543217704      0.4531488708     -1.1085356448
 C     -3.0642997906     -0.4590162163     -1.9063489245
 C     -2.3971998706     -1.3025612227     -2.7450483484
 C     -1.4696837571     -1.8905018733     -3.1943622386
 C     -0.2042270886     -2.2863373748     -3.1740533233
 C      0.9175676464     -2.4688117270     -2.7388184997
 C      2.0347926754     -2.4713429197     -1.9295009469
 C      2.6348491716     -2.3006452947     -0.9261665111
 C      3.0644498565     -1.7612846160      0.3031199967
 C      3.1813837204     -1.0150160108      1.2541427569
 C      2.9155821936      0.0278732402      2.1067272060
 C      2.2728782433      0.8037127605      2.7894706087
18
# ORCA AIMD Position Step 807, t=807.00 fs, E_Pot=-685.23111983 Hartree, Unit is Angstrom
 C      1.2947786544      1.7378274619      3.0010042982
 C      0.2481588874      2.3503529905      2.9622359766
 C     -0.9813062765      2.7360078723      2.5677759155
 C     -1.9176732617      2.7368433511      1.7639914124
 C     -2.5922206280      2.1420154766      0.7011286181
 C     -2.9394078144      1.4468360265     -0.2257486964
 C     -3.1577745509      0.4563271058     -1.1102867878
 C     -3.0652525508     -0.4516077380     -1.9071771994
 C     -2.3980173330     -1.2960616872     -2.7436514779
 C     -1.4685821237     -1.8807159817     -3.1920867077
 C     -0.1982685966     -2.2864661503     -3.1751497809
 C      0.9184610972     -2.4633931506     -2.7377845606
 C      2.0303465782     -2.4680941602     -1.9282406600
 C      2.6397537696     -2.3035039233     -0.9270237834
 C      3.0618499757     -1.7692263482      0.2995500431
 C      3.1773239118     -1.0181130697      1.2584105982
 C      2.9126698900      0.0280983438      2.1051517261
 C      2.2748339600      0.7985293356      2.7869290451
18
# ORCA AIMD Position Step 808, t=808.00 fs, E_Pot=-685.23368418 Hartree, Unit is Angstrom
 C      1.2974823533      1.7335294871      3.0065954069
 C      0.2495928254      2.3369018321      2.9613680338
 C     -0.9841778377      2.7244868506      2.5651402583
 C     -1.9196047158      2.7375453331      1.7609878379
 C     -2.5851753695      2.1454494942      0.7034069398
 C     -2.9430659480      1.4525445696     -0.2258564787
 C     -3.1612874671      0.4595742825     -1.1123045794
 C     -3.0659660131     -0.4442416028     -1.9084828994
 C     -2.4010033988     -1.2882829628     -2.7411159058
 C     -1.4664694901     -1.8717560565     -3.1906163282
 C     -0.1912727463     -2.2870268163     -3.1762305590
 C      0.9199886282     -2.4581152561     -2.7366645252
 C      2.0238045145     -2.4652641768     -1.9292683329
 C      2.6466098625     -2.3053990625     -0.9243201130
 C      3.0590542092     -1.7770579072      0.2951899363
 C      3.1730991046     -1.0212293324      1.2621278997
 C      2.9099389074      0.0271093391      2.1034183231
 C      2.2761941384      0.7944563746      2.7842519645
18
# ORCA AIMD Position Step 809, t=809.00 fs, E_Pot=-685.23581770 Hartree, Unit is Angstrom
 C      1.3008184158      1.7285400287      3.0123838793
 C      0.2508427491      2.3237112340      2.9607746698
 C     -0.9878908723      2.7130475374      2.5612968701
 C     -1.9209447718      2.7374556592      1.7580597007
 C     -2.5778676945      2.1495942920      0.7064417575
 C     -2.9470060759      1.4581749662     -0.2255177924
 C     -3.1648571598      0.4632048391     -1.1142960570
 C     -3.0664813604     -0.4370695920     -1.9103641702
 C     -2.4057732655     -1.2795073083     -2.7376689680
 C     -1.4633193312     -1.8635969569     -3.1898377637
 C     -0.1840293483     -2.2878091218     -3.1774520020
 C      0.9223825343     -2.4530660354     -2.7354038294
 C      2.0158185003     -2.4627528193     -1.9317901747
 C      2.6548536371     -2.3065525344     -0.9189825497
 C      3.0562210830     -1.7842604172      0.2907836737
 C      3.1686991349     -1.0247585321      1.2647639627
 C      2.9075858116      0.0246503656      2.1013344811
 C      2.2767570715      0.7917795491      2.7816935300
18
# ORCA AIMD Position Step 810, t=810.00 fs, E_Pot=-685.23650918 Hartree, Unit is Angstrom
 C      1.3048668530      1.7228036657      3.0183318903
 C      0.2515154821      2.3109865128      2.9603879294
 C     -0.9920381055      2.7016753796      2.5564896015
 C     -1.9216483074      2.7366690431      1.7553320376
 C     -2.5706233491      2.1541129762      0.7097071484
 C     -2.9511261352      1.4638012258     -0.2245923447
 C     -3.1684813603      0.4675101425     -1.1159867052
 C     -3.0668776096     -0.4301589411     -1.9128464868
 C     -2.4116687196     -1.2702015571     -2.7336943544
 C     -1.4593560129     -1.8560612666     -3.1895261816
 C     -0.1773042218     -2.2886068664     -3.1789729927
 C      0.9258007582     -2.4483249718     -2.7339910956
 C      2.0073105707     -2.4604137237     -1.9346671218
 C      2.6636994514     -2.3072644918     -0.9123125561
 C      3.0535095236     -1.7903969882      0.2870073093
 C      3.1641268486     -1.0289888988      1.2659418125
 C      2.9056977578      0.0206076467      2.0988106849
 C      2.2764772427      0.7905930808      2.7793879065
18
# ORCA AIMD Position Step 811, t=811.00 fs, E_Pot=-685.23569877 Hartree, Unit is Angstrom
 C      1.3095516887      1.7163749636      3.0244123199
 C      0.2513191927      2.2988545499      2.9601399246
 C     -0.9961090169      2.6903302818      2.5510476914
 C     -1.9217628738      2.7352954674      1.7528570391
 C     -2.5637636281      2.1586772855      0.7126812180
 C     -2.9553305853      1.4694887694     -0.2229626914
 C     -3.1721569421      0.4727252169     -1.1171549243
 C     -3.0672659849     -0.4234673179     -1.9158659116
 C     -2.4178922451     -1.2609268388     -2.7296628327
 C     -1.4549517602     -1.8488824013     -3.1894002870
 C     -0.1717259449     -2.2892416784     -3.1809182808
 C      0.9302665888     -2.4439460200     -2.7324809718
 C      1.9992744622     -2.4580995694     -1.9366993695
 C      2.6723295882     -2.3078451861     -0.9056663118
 C      3.0510552782     -1.7951764720      0.2843730839
 C      3.1593962805     -1.0340583409      1.2654894479
 C      2.9042375905      0.0150203147      2.0958764062
 C      2.2754870114      0.7907733504      2.7773225698
18
# ORCA AIMD Position Step 812, t=812.00 fs, E_Pot=-685.23413726 Hartree, Unit is Angstrom
 C      1.3146283096      1.7094232541      3.0306087471
 C      0.2501098521      2.2873483686      2.9599760676
 C     -0.9995535542      2.6789561181      2.5453441320
 C     -1.9214088422      2.7334498519      1.7506235461
 C     -2.5575737335      2.1630131200      0.7149120628
 C     -2.9595472359      1.4752710296     -0.2205662984
 C     -3.1758777205      0.4789952410     -1.1176635956
 C     -3.0677771083     -0.4168436816     -1.9192716684
 C     -2.4236453667     -1.2522415001     -2.7260525774
 C     -1.4505196892     -1.8417752972     -3.1891788810
 C     -0.1677007737     -2.2895758060     -3.1833481969
 C      0.9356312990     -2.4399523529     -2.7310035658
 C      1.9926044751     -2.4556953947     -1.9368488780
 C      2.6800482430     -2.3085613097     -0.9001996250
 C      3.0489560766     -1.7984838098      0.2831636541
 C      3.1545305699     -1.0399429504      1.2634494430
 C      2.9030575873      0.0080674285      2.0926722102
 C      2.2740807266      0.7919942372      2.7753461838
18
# ORCA AIMD Position Step 813, t=813.00 fs, E_Pot=-685.23282366 Hartree, Unit is Angstrom
 C      1.3197069911      1.7022123838      3.0369128493
 C      0.2479006941      2.2764175176      2.9598631371
 C     -1.0018488821      2.6674926068      2.5397507683
 C     -1.9207459233      2.7312408193      1.7485762967
 C     -2.5522794570      2.1669332019      0.7160692171
 C     -2.9637383506      1.4811344671     -0.2174174312
 C     -3.1796323173      0.4863604006     -1.1174728379
 C     -3.0685411718     -0.4100566003     -1.9228490556
 C     -2.4282439357     -1.2446198162     -2.7232775825
 C     -1.4464278340     -1.8344933727     -3.1886263424
 C     -0.1653753953     -2.2895204044     -3.1862414800
 C      0.9415849403     -2.4363354306     -2.7297537175
 C      1.9879777066     -2.4531320163     -1.9343745836
 C      2.6863709566     -2.3095970797     -0.8967112460
 C      3.0472602320     -1.8003931138      0.2833945223
 C      3.1495615576     -1.0464632533      1.2600628798
 C      2.9019356251      0.0000265106      2.0894174994
 C      2.2726677436      0.7937825034      2.7732052644
18
# ORCA AIMD Position Step 814, t=814.00 fs, E_Pot=-685.23248674 Hartree, Unit is Angstrom
 C      1.3242967833      1.6950704772      3.0433185825
 C      0.2448521891      2.2659497567      2.9597949399
 C     -1.0025698443      2.6558931325      2.5345890390
 C     -1.9199251268      2.7287679326      1.7466569482
 C     -2.5480393685      2.1703443837      0.7159607661
 C     -2.9679060235      1.4870114451     -0.2136144847
 C     -3.1834010247      0.4947542315     -1.1166389393
 C     -3.0696716318     -0.4028320386     -1.9263464111
 C     -2.4311850908     -1.2384028458     -2.7216418025
 C     -1.4429488390     -1.8268655163     -3.1875785129
 C     -0.1646371188     -2.2890346748     -3.1894901464
 C      0.9476861248     -2.4330611524     -2.7289666811
 C      1.9857975885     -2.4503888258     -1.9288893739
 C      2.6910493377     -2.3110409822     -0.8955927390
 C      3.0459676158     -1.8011556376      0.2848158695
 C      3.1445320175     -1.0533101787      1.2557348276
 C      2.9006175766     -0.0087641538      2.0863755803
 C      2.2717126549      0.7955869252      2.7705955228
18
# ORCA AIMD Position Step 815, t=815.00 fs, E_Pot=-685.23331616 Hartree, Unit is Angstrom
 C      1.3278830779      1.6883386086      3.0498131645
 C      0.2412421710      2.2558018498      2.9597943807
 C     -1.0014566128      2.6441428803      2.5300854839
 C     -1.9190451391      2.7261159702      1.7448382211
 C     -2.5449374691      2.1732508132      0.7145470281
 C     -2.9720899052      1.4927844195     -0.2093365212
 C     -3.1871568327      0.5040060125     -1.1153071643
 C     -3.0712418814     -0.3949086491     -1.9295160350
 C     -2.4321938783     -1.2337592171     -2.7213017357
 C     -1.4402410254     -1.8188142882     -3.1859554289
 C     -0.1651506880     -2.2881231925     -3.1929137876
 C      0.9534397922     -2.4300778147     -2.7288712122
 C      1.9861494764     -2.4474919515     -1.9203953692
 C      2.6940720723     -2.3128832930     -0.8968210153
 C      3.0450377083     -1.8011712150      0.2869451575
 C      3.1394975800     -1.0600834724      1.2509856436
 C      2.8988603877     -0.0179457796      2.0838160419
 C      2.2716590808      0.7968640791      2.7672207075
18
# ORCA AIMD Position Step 816, t=816.00 fs, E_Pot=-685.23491179 Hartree, Unit is Angstrom
 C      1.3300171548      1.6823104806      3.0563699694
 C      0.2374259958      2.2458259585      2.9599125189
 C     -0.9984683773      2.6322703494      2.5263351154
 C     -1.9181164030      2.7233499900      1.7431523792
 C     -2.5429812736      2.1757452796      0.7119352525
 C     -2.9763624335      1.4982995235     -0.2048268144
 C     -3.1908685589      0.5138593406     -1.1136947382
 C     -3.0732686938     -0.3860878783     -1.9321546533
 C     -2.4312442426     -1.2306639333     -2.7222473160
 C     -1.4383399757     -1.8103600571     -3.1837639189
 C     -0.1664235708     -2.2868262677     -3.1962861704
 C      0.9583816547     -2.4273259915     -2.7296397252
 C      1.9887716002     -2.4445132131     -1.9093100415
 C      2.6956612208     -2.3150272607     -0.8999785484
 C      3.0444065812     -1.8009300754      0.2891505331
 C      3.1345248593     -1.0663508486      1.2463813562
 C      2.8964682464     -0.0271780763      2.0819799501
 C      2.2728524337      0.7971652607      2.7628487377
18
# ORCA AIMD Position Step 817, t=817.00 fs, E_Pot=-685.23647777 Hartree, Unit is Angstrom
 C      1.3304053419      1.6771681424      3.0629447468
 C      0.2337871680      2.2358862868      2.9602244741
 C     -0.9937997576      2.6203448398      2.5232856777
 C     -1.9170463714      2.7205136457      1.7417042855
 C     -2.5421090002      2.1779911832      0.7083523054
 C     -2.9808228634      1.5033908826     -0.2003646616
 C     -3.1945067994      0.5240063827     -1.1120621645
 C     -3.0757061143     -0.3762651056     -1.9341364836
 C     -2.4285590627     -1.2288959924     -2.7243016570
 C     -1.4371519794     -1.8016138709     -3.1810940272
 C     -0.1678916351     -2.2852081262     -3.1993710076
 C      0.9621532464     -2.4247462911     -2.7313513215
 C      1.9930581456     -2.4415651492     -1.8964614015
 C      2.6962620766     -2.3173117272     -0.9043005724
 C      3.0440072459     -1.8009285517      0.2907796703
 C      3.1296840804     -1.0717271682      1.2424395811
 C      2.8933179331     -0.0361780775      2.0810496559
 C      2.2754745242      0.7962163755      2.7573581970
18
# ORCA AIMD Position Step 818, t=818.00 fs, E_Pot=-685.23720187 Hartree, Unit is Angstrom
 C      1.3289799765      1.6729339356      3.0694766405
 C      0.2306765590      2.2258759518      2.9608192387
 C     -0.9878453449      2.6084670409      2.5207571368
 C     -1.9156597140      2.7176190112      1.7406450091
 C     -2.5421972545      2.1802083256      0.7041204974
 C     -2.9855879093      1.5079031907     -0.1962331485
 C     -3.1980545237      0.5341377729     -1.1106758990
 C     -3.0784491274     -0.3654539567     -1.9354401161
 C     -2.4245852788     -1.2280570453     -2.7271428770
 C     -1.4364420285     -1.7927691925     -3.1781068746
 C     -0.1690294329     -2.2833353524     -3.2019610523
 C      0.9645623103     -2.4222865690     -2.7339721544
 C      1.9981107823     -2.4387914119     -1.8830259689
 C      2.6965087084     -2.3195417065     -0.9087608889
 C      3.0437900544     -1.8015808984      0.2912924593
 C      3.1250385724     -1.0759405022      1.2395456229
 C      2.8893761213     -0.0447674214      2.0811189780
 C      2.2794980231      0.7939741268      2.7507675693
18
# ORCA AIMD Position Step 819, t=819.00 fs, E_Pot=-685.23674720 Hartree, Unit is Angstrom
 C      1.3259266918      1.6694556468      3.0758892337
 C      0.2283610339      2.2157299458      2.9617899321
 C     -0.9811260557      2.5967551157      2.5184881272
 C     -1.9137422364      2.7146456304      1.7401329276
 C     -2.5430813339      2.1826459411      0.6996140086
 C     -2.9907779496      1.5117139704     -0.1926845767
 C     -3.2015113290      0.5439836690     -1.1097746637
 C     -3.0813471377     -0.3537846329     -1.9361523891
 C     -2.4199423537     -1.2276150012     -2.7303443749
 C     -1.4358432375     -1.7840852006     -3.1750171212
 C     -0.1694345489     -2.2812595776     -3.2039061061
 C      0.9655966610     -2.4199078452     -2.7373638510
 C      2.0028593144     -2.4363487431     -1.8703846317
 C      2.6971428470     -2.3215261212     -0.9122201948
 C      3.0437385860     -1.8031388514      0.2903805149
 C      3.1206377414     -1.0788917073      1.2378779618
 C      2.8847043172     -0.0528987551      2.0821795208
 C      2.2846791805      0.7906442894      2.7432469322
18
# ORCA AIMD Position Step 820, t=820.00 fs, E_Pot=-685.23551175 Hartree, Unit is Angstrom
 C      1.3216586102      1.6664334729      3.0820986612
 C      0.2269815206      2.2054380378      2.9632212836
 C     -0.9741930605      2.5853272462      2.5161972109
 C     -1.9110880079      2.7115532451      1.7403001502
 C     -2.5445899237      2.1855360944      0.6951907914
 C     -2.9964993968      1.5147532172     -0.1899066713
 C     -3.2048932282      0.5533494212     -1.1095358653
 C     -3.0842277705     -0.3414795589     -1.9364511736
 C     -2.4153322470     -1.2269813492     -2.7334388089
 C     -1.4349025791     -1.7758535140     -3.1720650460
 C     -0.1688843982     -2.2790062374     -3.2051297704
 C      0.9654057919     -2.4175894372     -2.7413131254
 C      2.0062490826     -2.4343845326     -1.8598802891
 C      2.6988756530     -2.3231182923     -0.9136544437
 C      3.0438801846     -1.8056385743      0.2880456567
 C      3.1165156667     -1.0806843530      1.2373683268
 C      2.8794534663     -0.0606626877      2.0841214597
 C      2.2905947617      0.7866528947      2.7351078909
18
# ORCA AIMD Position Step 821, t=821.00 fs, E_Pot=-685.23433075 Hartree, Unit is Angstrom
 C      1.3167712522      1.6634598994      3.0880209992
 C      0.2265225415      2.1950517617      2.9651763210
 C     -0.9675353071      2.5742893571      2.5136432364
 C     -1.9075518636      2.7082872832      1.7412120545
 C     -2.5465700486      2.1890683367      0.6911549486
 C     -3.0028236005      1.5170223139     -0.1879944308
 C     -3.2082333854      0.5621286448     -1.1100609750
 C     -3.0869104928     -0.3288374848     -1.9365903600
 C     -2.4114357136     -1.2255880359     -2.7359808690
 C     -1.4331575787     -1.7683544559     -3.1694777904
 C     -0.1673625051     -2.2765680585     -3.2056341573
 C      0.9642798626     -2.4153318075     -2.7455580006
 C      2.0074570302     -2.4330074011     -1.8525483257
 C      2.7022044315     -2.3242573645     -0.9124182435
 C      3.0442847809     -1.8089043219      0.2846032569
 C      3.1126940447     -1.0815991516      1.2377312980
 C      2.8738467745     -0.0682742357      2.0867456854
 C      2.2966994641      0.7825904914      2.7267727999
18
# ORCA AIMD Position Step 822, t=822.00 fs, E_Pot=-685.23378003 Hartree, Unit is Angstrom
 C      1.3119742396      1.6600783032      3.0935790834
 C      0.2268139266      2.1846887937      2.9676893082
 C     -0.9615110450      2.5637287007      2.5106734684
 C     -1.9030908413      2.7047863085      1.7428344073
 C     -2.5489065603      2.1933595198      0.6877235523
 C     -3.0097681477      1.5186088884     -0.1869263763
 C     -3.2115783263      0.5702988724     -1.1113751311
 C     -3.0892217771     -0.3162143481     -1.9368760507
 C     -2.4087965291     -1.2229677787     -2.7376098287
 C     -1.4302475620     -1.7618024259     -3.1674265720
 C     -0.1650451472     -2.2739092785     -3.2054945843
 C      0.9626187041     -2.4131594168     -2.7498140532
 C      2.0060842611     -2.4322599327     -1.8488766093
 C      2.7072420960     -2.3249992096     -0.9084761972
 C      3.0450565160     -1.8125932730      0.2806261595
 C      3.1091894830     -1.0820345493      1.2385394563
 C      2.8681503946     -0.0760293909      2.0897979206
 C      2.3024004826      0.7791279268      2.7187251056
18
# ORCA AIMD Position Step 823, t=823.00 fs, E_Pot=-685.23376057 Hartree, Unit is Angstrom
 C      1.3080021703      1.6558464871      3.0987083628
 C      0.2275639438      2.1745166641      2.9707625178
 C     -0.9563040202      2.5537065438      2.5072533265
 C     -1.8977907857      2.7009942816      1.7450195919
 C     -2.5515340104      2.1984376773      0.6850078188
 C     -3.0172854937      1.5196900442     -0.1865591425
 C     -3.2149848091      0.5779050645     -1.1134357458
 C     -3.0910064513     -0.3039948454     -1.9376366076
 C     -2.4077112086     -1.2188244874     -2.7381033396
 C     -1.4260265028     -1.7562902053     -3.1659861428
 C     -0.1622599265     -2.2709777470     -3.2048470869
 C      0.9608904848     -2.4111188074     -2.7538001561
 C      2.0022391816     -2.4321104158     -1.8487024328
 C      2.7136492195     -2.3255195622     -0.9024813447
 C      3.0463200309     -1.8162741478      0.2768348150
 C      3.1060224911     -1.0824239299      1.2393256482
 C      2.8626279123     -0.0842303480      2.0930211877
 C      2.3071444302      0.7769073343      2.7114413762
18
# ORCA AIMD Position Step 824, t=824.00 fs, E_Pot=-685.23385048 Hartree, Unit is Angstrom
 C      1.3055060114      1.6503995422      3.1033619029
 C      0.2284247712      2.1647196972      2.9743719228
 C     -0.9519047130      2.5442513684      2.5034746742
 C     -1.8918706689      2.6968677759      1.7475088017
 C     -2.5544382153      2.2042415961      0.6830147874
 C     -3.0252663085      1.5205216841     -0.1866440988
 C     -3.2185122001      0.5850415322     -1.1161512689
 C     -3.0921430475     -0.2925539205     -1.9391867245
 C     -2.4081667042     -1.2130738435     -2.7374112857
 C     -1.4206307298     -1.7517519322     -3.1651128624
 C     -0.1594182794     -2.2677195620     -3.2038655749
 C      0.9595765939     -2.4092731478     -2.7572657824
 C      1.9964711479     -2.4324665810     -1.8513103675
 C      2.7207174701     -2.3260809509     -0.8956290886
 C      3.0481979784     -1.8195231743      0.2739564653
 C      3.1032182201     -1.0831492265      1.2396894127
 C      2.8574839240     -0.0930982693      2.0962188671
 C      2.3105120640      0.7764188542      2.7053065900
18
# ORCA AIMD Position Step 825, t=825.00 fs, E_Pot=-685.23380251 Hartree, Unit is Angstrom
 C      1.3049417386      1.6435068219      3.1075131410
 C      0.2290882164      2.1554523513      2.9784793489
 C     -0.9481260054      2.5353520608      2.4995430483
 C     -1.8856660203      2.6923851109      1.7499545386
 C     -2.5576470087      2.2106410360      0.6816677806
 C     -3.0335605987      1.5214007559     -0.1868710521
 C     -3.2222201238      0.5918266918     -1.1194030093
 C     -3.0925463377     -0.2822028434     -1.9417894318
 C     -2.4098476401     -1.2058419199     -2.7356477619
 C     -1.4144721606     -1.7479677974     -3.1646508437
 C     -0.1569355373     -2.2640867409     -3.2027315023
 C      0.9591016944     -2.4076868378     -2.7600239479
 C      1.9895884975     -2.4332083912     -1.8556744977
 C      2.7275682233     -2.3269741917     -0.8893440104
 C      3.0507907560     -1.8220193329      0.2725707274
 C      3.1008057546     -1.0844717039      1.2393809647
 C      2.8528118274     -0.1026932176      2.0993123806
 C      2.3122914306      0.7778920423      2.7005391655
18
# ORCA AIMD Position Step 826, t=826.00 fs, E_Pot=-685.23376440 Hartree, Unit is Angstrom
 C      1.3064838660      1.6351128959      3.1111524421
 C      0.2293776739      2.1467963060      2.9830498916
 C     -0.9446561764      2.5269651292      2.4957400758
 C     -1.8795847125      2.6875431460      1.7519600138
 C     -2.5612135769      2.2174639260      0.6808425693
 C     -3.0420043564      1.5226276816     -0.1869219723
 C     -3.2261588412      0.5983793843     -1.1230717443
 C     -3.0921764791     -0.2731532564     -1.9456210952
 C     -2.4122156357     -1.1974182192     -2.7330564968
 C     -1.4081603562     -1.7446063991     -3.1643678446
 C     -0.1551448549     -2.2600493162     -3.2015995861
 C      0.9597625795     -2.4064151511     -2.7619757523
 C      1.9824631735     -2.4342160955     -1.8607132313
 C      2.7333603279     -2.3284482758     -0.8849419059
 C      3.0541517834     -1.8236210751      0.2729735438
 C      3.0988157950     -1.0864902713      1.2383506138
 C      2.8485716962     -0.1128704003      2.1023687534
 C      2.3125135411      0.7812363902      2.6971517451
18
# ORCA AIMD Position Step 827, t=827.00 fs, E_Pot=-685.23396175 Hartree, Unit is Angstrom
 C      1.3099846302      1.6253547168      3.1142903074
 C      0.2293024725      2.1387429124      2.9880636404
 C     -0.9411364641      2.5190292361      2.4923695789
 C     -1.8740480651      2.6823579388      1.7531328511
 C     -2.5651946854      2.2245305323      0.6804060852
 C     -3.0504439098      1.5244562329     -0.1865272728
 C     -3.2303630435      0.6047871662     -1.1270636678
 C     -3.0910433660     -0.2654819438     -1.9507403302
 C     -2.4146265139     -1.1881900430     -2.7299563042
 C     -1.4023824053     -1.7412896134     -3.1640058452
 C     -0.1542291238     -2.2556060445     -3.2005683537
 C      0.9616693065     -2.4054929731     -2.7631293654
 C      1.9758833199     -2.4353910353     -1.8654745280
 C      2.7374446402     -2.3306532511     -0.8833731796
 C      3.0582706497     -1.8244117225      0.2750866275
 C      3.0972735694     -1.0891276123      1.2367604942
 C      2.8446077267     -0.1232964208      2.1055793935
 C      2.3114446888      0.7860505186      2.6949625126
18
# ORCA AIMD Position Step 828, t=828.00 fs, E_Pot=-685.23443086 Hartree, Unit is Angstrom
 C      1.3149946610      1.6145499451      3.1169610205
 C      0.2290569021      2.1311977889      2.9935179659
 C     -0.9372507481      2.5114827781      2.4896939919
 C     -1.8694142634      2.6768583369      1.7531489446
 C     -2.5696348171      2.2316758761      0.6802449756
 C     -3.0587564210      1.5270591546     -0.1855101153
 C     -3.2348439381      0.6110921523     -1.1313214676
 C     -3.0892091371     -0.2591189471     -1.9570722295
 C     -2.4164429930     -1.1785793599     -2.7266895387
 C     -1.3977831477     -1.7376578107     -3.1633277971
 C     -0.1541875335     -2.2507853627     -3.1996623031
 C      0.9647161707     -2.4049286804     -2.7635999626
 C      1.9704692222     -2.4366695479     -1.8692423735
 C      2.7394401900     -2.3336079589     -0.8850916341
 C      3.0630666298     -1.8247014231      0.2784414683
 C      3.0961947988     -1.0921437150      1.2349602244
 C      2.8406989889     -0.1335138566      2.1092068675
 C      2.3095361735      0.7916915546      2.6936469465
18
# ORCA AIMD Position Step 829, t=829.00 fs, E_Pot=-685.23505955 Hartree, Unit is Angstrom
 C      1.3208374531      1.6031562018      3.1192299786
 C      0.2289670560      2.1240064303      2.9994216227
 C     -0.9328052077      2.5042812385      2.4878773797
 C     -1.8659042630      2.6710767679      1.7518166949
 C     -2.5745582338      2.2387653434      0.6802804640
 C     -3.0668628888      1.5305065564     -0.1838134197
 C     -3.2395876203      0.6172910381     -1.1358251487
 C     -3.0867865733     -0.2538534612     -1.9644098428
 C     -2.4171221547     -1.1689868119     -2.7235832689
 C     -1.3948657705     -1.7334269936     -3.1621529273
 C     -0.1548439789     -2.2456417887     -3.1988343824
 C      0.9685929007     -2.4047001333     -2.7635946152
 C      1.9666304181     -2.4380219220     -1.8715779862
 C      2.7392513748     -2.3372027592     -0.8900380117
 C      3.0684038975     -1.8249687499      0.2822614525
 C      3.0955833358     -1.0951937766      1.2334165936
 C      2.8366156690     -0.1430393893      2.1135128756
 C      2.3073520537      0.7973866885      2.6928122366
18
# ORCA AIMD Position Step 830, t=830.00 fs, E_Pot=-685.23573881 Hartree, Unit is Angstrom
 C      1.3267236724      1.5917064426      3.1211983990
 C      0.2294045733      2.1169948191      3.0057841926
 C     -0.9277804860      2.4974055477      2.4869458562
 C     -1.8635460911      2.6650420742      1.7491215906
 C     -2.5799696213      2.2456997532      0.6804672067
 C     -3.0747337886      1.5347630576     -0.1815032072
 C     -3.2445551745      0.6233441590     -1.1405840804
 C     -3.0839341746     -0.2493550345     -1.9724353522
 C     -2.4162728122     -1.1597514904     -2.7209168088
 C     -1.3939259329     -1.7284243303     -3.1603773501
 C     -0.1558944482     -2.2402444818     -3.1979787119
 C      0.9728401321     -2.4047587883     -2.7633791620
 C      1.9645451990     -2.4394520832     -1.8723397127
 C      2.7370465816     -2.3412303111     -0.8977130556
 C      3.0741149204     -1.8257556051      0.2856324390
 C      3.0954284724     -1.0979091057      1.2326116233
 C      2.8321731522     -0.1514586256      2.1186988835
 C      2.3054895315      0.8023545694      2.6920671269
18
# ORCA AIMD Position Step 831, t=831.00 fs, E_Pot=-685.23643632 Hartree, Unit is Angstrom
 C      1.3318815485      1.5807293276      3.1229982501
 C      0.2307028428      2.1100082572      3.0126070785
 C     -0.9223476995      2.4908661662      2.4867764142
 C     -1.8621596855      2.6587753341      1.7452366887
 C     -2.5858611096      2.2524107434      0.6807832457
 C     -3.0823821812      1.5397085591     -0.1787469619
 C     -3.2496873117      0.6291860303     -1.1456269093
 C     -3.0808448033     -0.2452107415     -1.9807569362
 C     -2.4136870250     -1.1511232623     -2.7188991445
 C     -1.3950220440     -1.7226031676     -3.1579843498
 C     -0.1569768072     -2.2346668258     -3.1969547195
 C      0.9769319898     -2.4050377169     -2.7632347535
 C      1.9641514448     -2.4409957966     -1.8716813982
 C      2.7332234331     -2.3454270200     -0.9072890456
 C      3.0800269166     -1.8275332430      0.2877163197
 C      3.0957046547     -1.1000011293      1.2329106946
 C      2.8272671535     -0.1584928937      2.1248688657
 C      2.3044983146      0.8059181789      2.6910845436
18
# ORCA AIMD Position Step 832, t=832.00 fs, E_Pot=-685.23709702 Hartree, Unit is Angstrom
 C      1.3356749225      1.5706802896      3.1247730616
 C      0.2330803392      2.1029412545      3.0198715497
 C     -0.9168221310      2.4846975972      2.4871286560
 C     -1.8613804591      2.6522913133      1.7405061643
 C     -2.5922261126      2.2588532154      0.6812067418
 C     -3.0898578107      1.5451575920     -0.1757871972
 C     -3.2549108523      0.6347515806     -1.1509828437
 C     -3.0777292287     -0.2409820403     -1.9889553762
 C     -2.4093478614     -1.1432395230     -2.7176585878
 C     -1.3979667186     -1.7160516516     -3.1550381113
 C     -0.1577443981     -2.2289703353     -3.1956180243
 C      0.9803521514     -2.4054612917     -2.7634108310
 C      1.9651549727     -2.4427137848     -1.8700409075
 C      2.7283577593     -2.3495204123     -0.9177283132
 C      3.0859890079     -1.8305805886      0.2879402466
 C      3.0963755238     -1.1013528339      1.2344590457
 C      2.8218964664     -0.1640410660      2.1320066779
 C      2.3047997504      0.8075977840      2.6896538097
18
# ORCA AIMD Position Step 833, t=833.00 fs, E_Pot=-685.23749390 Hartree, Unit is Angstrom
 C      1.3377080473      1.5618694616      3.1266535150
 C      0.2365894729      2.0957633638      3.0275309693
 C     -0.9115983554      2.4789437220      2.4876961101
 C     -1.8607245425      2.6456039025      1.7353869224
 C     -2.5990672878      2.2649904768      0.6817046060
 C     -3.0972302186      1.5508972964     -0.1729011965
 C     -3.2601476147      0.6399910747     -1.1566645556
 C     -3.0747914028     -0.2362560221     -1.9966379775
 C     -2.4034466923     -1.1361062397     -2.7172205484
 C     -1.4023283635     -1.7089893887     -3.1516885411
 C     -0.1579381620     -2.2231973084     -3.1938436245
 C      0.9826788276     -2.4059561500     -2.7640911135
 C      1.9670587398     -2.4446863678     -1.8680891746
 C      2.7231500256     -2.3532572425     -0.9278988959
 C      3.0918815404     -1.8349144834      0.2861165947
 C      3.0974010477     -1.1020709476      1.2371115021
 C      2.8161674963     -0.1682007565      2.1399714321
 C      2.3066181524      0.8071865533      2.6877188536
18
# ORCA AIMD Position Step 834, t=834.00 fs, E_Pot=-685.23733536 Hartree, Unit is Angstrom
 C      1.3378878542      1.5544239837      3.1287324139
 C      0.2410901352      2.0885251526      3.0355090250
 C     -0.9070683470      2.4736458070      2.4881640993
 C     -1.8596679529      2.6387256595      1.7303785985
 C     -2.6063997439      2.2707928100      0.6822272698
 C     -3.1045753967      1.5567163586     -0.1703595017
 C     -3.2653257089      0.6448880556     -1.1626625735
 C     -3.0722088699     -0.2306994864     -2.0034821223
 C     -2.3963759634     -1.1295807924     -2.7175030597
 C     -1.4074661296     -1.7017560570     -3.1481566183
 C     -0.1574221294     -2.2173624556     -3.1915509564
 C      0.9836255593     -2.4064626531     -2.7653754995
 C      1.9692499194     -2.4469990335     -1.8666276923
 C      2.7183361201     -2.3564334942     -0.9367042500
 C      3.0976220079     -1.8402891825      0.2824477128
 C      3.0987421133     -1.1024744824      1.2404599171
 C      2.8102929750     -0.1712737398      2.1485004222
 C      2.3099383948      0.8047865927      2.6853986560
18
# ORCA AIMD Position Step 835, t=835.00 fs, E_Pot=-685.23647920 Hartree, Unit is Angstrom
 C      1.3364398526      1.5482690648      3.1310559060
 C      0.2462429366      2.0813661034      3.0437002381
 C     -0.9035399495      2.4688234933      2.4882734456
 C     -1.8577362880      2.6316711878      1.7259378366
 C     -2.6142465650      2.2762329198      0.6827163629
 C     -3.1119654201      1.5624299655     -0.1684020561
 C     -3.2703891003      0.6494764768     -1.1689242308
 C     -3.0701090943     -0.2240958091     -2.0092788090
 C     -2.3887072225     -1.1233791454     -2.7183167239
 C     -1.4125788125     -1.6947799905     -3.1447234807
 C     -0.1562170975     -2.2114533103     -3.1887138583
 C      0.9830798399     -2.4069424325     -2.7672782828
 C      1.9711148331     -2.4497323788     -1.8664382515
 C      2.7145802278     -2.3589052010     -0.9432288452
 C      3.1031604760     -1.8462655565      0.2774465582
 C      3.1003649460     -1.1030208592      1.2439197443
 C      2.8045774505     -0.1737606829      2.1572209625
 C      2.3145049734      0.8008090039      2.6829816529
18
# ORCA AIMD Position Step 836, t=836.00 fs, E_Pot=-685.23520176 Hartree, Unit is Angstrom
 C      1.3338661625      1.5431602755      3.1336251033
 C      0.2515275176      2.0745033893      3.0519791876
 C     -0.9011820500      2.4644689688      2.4878616204
 C     -1.8545811696      2.6244497671      1.7224039974
 C     -2.6226261116      2.2812894957      0.6831229499
 C     -3.1194614608      1.5678948488     -0.1672179736
 C     -3.2753067485      0.6538577824     -1.1753430736
 C     -3.0685534406     -0.2163731161     -2.0139543775
 C     -2.3811204599     -1.1171092237     -2.7193967068
 C     -1.4168075022     -1.6885279450     -3.1416928608
 C     -0.1544939507     -2.2054307541     -3.1853698832
 C      0.9811052634     -2.4073853208     -2.7697330682
 C      1.9721876958     -2.4529444127     -1.8681134472
 C      2.7123419939     -2.3606050498     -0.9468896065
 C      3.1084790576     -1.8523106256      0.2717978674
 C      3.1022402019     -1.1042057492      1.2468650722
 C      2.7993956702     -0.1763232991      2.1656769370
 C      2.3198709513      0.7959085166      2.6808882807
18
# ORCA AIMD Position Step 837, t=837.00 fs, E_Pot=-685.23407264 Hartree, Unit is Angstrom
 C      1.3308512000      1.5387364683      3.1364099758
 C      0.2562986212      2.0682111603      3.0602029614
 C     -0.8999864594      2.4605396462      2.4868989920
 C     -1.8500398405      2.6170716238      1.7199453970
 C     -2.6315378426      2.2859469331      0.6834243183
 C     -3.1271091054      1.5730111873     -0.1669437961
 C     -3.2800775080      0.6582094973     -1.1817468087
 C     -3.0675399523     -0.2075993781     -2.0175712873
 C     -2.3742903508     -1.1103513996     -2.7204571021
 C     -1.4193599249     -1.6834308982     -3.1393479580
 C     -0.1525664749     -2.1992364063     -3.1816172475
 C      0.9779318116     -2.4078127164     -2.7726158921
 C      1.9722791316     -2.4566586249     -1.8718932883
 C      2.7117762948     -2.3615447547     -0.9475570759
 C      3.1135817955     -1.8579015484      0.2662214109
 C      3.1043428772     -1.1064609429      1.2487493046
 C      2.7951443917     -0.1797029746      2.1733776852
 C      2.3254893080      0.7908665856      2.6795989862
18
# ORCA AIMD Position Step 838, t=838.00 fs, E_Pot=-685.23374218 Hartree, Unit is Angstrom
 C      1.3281275708      1.5346049118      3.1393647241
 C      0.2598766234      2.0627818247      3.0682239814
 C     -0.8997658743      2.4569633851      2.4854958231
 C     -1.8441727837      2.6095476153      1.7185253781
 C     -2.6409417794      2.2901961725      0.6836419979
 C     -3.1349318972      1.5777217714     -0.1676599677
 C     -3.2847309668      0.6627775435     -1.1879003336
 C     -3.0670105690     -0.1979691192     -2.0203089827
 C     -2.3687535396     -1.1027524418     -2.7212603004
 C     -1.4196631829     -1.6798003286     -3.1378943075
 C     -0.1508437111     -2.1928044657     -3.1776088325
 C      0.9739289622     -2.4082774723     -2.7757581257
 C      1.9715247824     -2.4608524868     -1.8776067891
 C      2.7126970856     -2.3618148493     -0.9455817255
 C      3.1184891706     -1.8625996729      0.2613586615
 C      3.1066490058     -1.1100872466      1.2491932865
 C      2.7921824756     -0.1845930056      2.1798651349
 C      2.3308303586      0.7864248910      2.6795619565
18
# ORCA AIMD Position Step 839, t=839.00 fs, E_Pot=-685.23450576 Hartree, Unit is Angstrom
 C      1.3263168640      1.5304320795      3.1424421838
 C      0.2616762567      2.0584705185      3.0759044601
 C     -0.9001730301      2.4536464723      2.4838946464
 C     -1.8372729961      2.6018974723      1.7179000542
 C     -2.6507488883      2.2940283129      0.6838410785
 C     -3.1429239554      1.5820131854     -0.1693866865
 C     -3.2893202580      0.6678513563     -1.1935209652
 C     -3.0668697152     -0.1877720572     -2.0224303897
 C     -2.3647785202     -1.0941265286     -2.7216835352
 C     -1.4175049384     -1.6777441544     -3.1374090147
 C     -0.1497626836     -2.1860832120     -3.1735328873
 C      0.9695595893     -2.4088559231     -2.7789692507
 C      1.9703385355     -2.4654594659     -1.8847189905
 C      2.7146352943     -2.3615679534     -0.9417118282
 C      3.1232286271     -1.8661034490      0.2576911515
 C      3.1091327943     -1.1152117284      1.2480326165
 C      2.7907567229     -0.1914805622      2.1847970474
 C      2.3355016119      0.7831018936      2.6810879163
18
# ORCA AIMD Position Step 840, t=840.00 fs, E_Pot=-685.23609392 Hartree, Unit is Angstrom
 C      1.3257840629      1.5260251138      3.1456020561
 C      0.2613440979      2.0554295611      3.0831320262
 C     -0.9007509660      2.4504858411      2.4824367542
 C     -1.8298349497      2.5941530373      1.7176509595
 C     -2.6608221654      2.2974286088      0.6841198095
 C     -3.1510480239      1.5859160379     -0.1720793828
 C     -3.2939133209      0.6737229127     -1.1983179563
 C     -3.0670041135     -0.1773459916     -2.0242341757
 C     -2.3622943473     -1.0845154690     -2.7217571932
 C     -1.4131136346     -1.6771175402     -3.1378141600
 C     -0.1496981849     -2.1790544839     -3.1695871135
 C      0.9653161129     -2.4096371728     -2.7820566905
 C      1.9692930363     -2.4703784203     -1.8924731725
 C      2.7169621426     -2.3609936111     -0.9369214896
 C      3.1278257763     -1.8682842815      0.2554762872
 C      3.1117661760     -1.1217702634      1.2453407082
 C      2.7909420993     -0.2005046684      2.1880198698
 C      2.3393332520      0.7810424192      2.6842699611
18
# ORCA AIMD Position Step 841, t=841.00 fs, E_Pot=-685.23772828 Hartree, Unit is Angstrom
 C      1.3265480901      1.5213733474      3.1488178220
 C      0.2588566231      2.0536595494      3.0898349015
 C     -0.9010111482      2.4473839223      2.4815031154
 C     -1.8224775138      2.5863560845      1.7172586598
 C     -2.6709943026      2.3003729355      0.6845865176
 C     -3.1592410309      1.5895072437     -0.1756272058
 C     -3.2985826581      0.6806346767     -1.2020468613
 C     -3.0673008243     -0.1670137433     -2.0260038216
 C     -2.3609169435     -1.0741775068     -2.7216518006
 C     -1.4071317868     -1.6775353754     -3.1388943319
 C     -0.1508683587     -2.1717498412     -3.1659436841
 C      0.9616443429     -2.4107048846     -2.7848540848
 C      1.9689745891     -2.4754923241     -1.9000641027
 C      2.7190351054     -2.3602844738     -0.9322070615
 C      3.1322975589     -1.8692092069      0.2547008506
 C      3.1145216333     -1.1295123761      1.2414242600
 C      2.7926210035     -0.2114105702      2.1896004026
 C      2.3424067218      0.7799675938      2.6889579567
18
# ORCA AIMD Position Step 842, t=842.00 fs, E_Pot=-685.23861156 Hartree, Unit is Angstrom
 C      1.3282905536      1.5166394780      3.1520778910
 C      0.2545351734      2.0530003042      3.0959942101
 C     -0.9005319839      2.4442625418      2.4814372538
 C     -1.8158303759      2.5785458993      1.7161963998
 C     -2.6810925553      2.3028283014      0.6853391751
 C     -3.1674254388      1.5929119524     -0.1798567294
 C     -3.3033936537      0.6887271246     -1.2045703659
 C     -3.0676672306     -0.1570228917     -2.0279575222
 C     -2.3600669679     -1.0635061040     -2.7216241612
 C     -1.4004865987     -1.6784465471     -3.1403525601
 C     -0.1532580621     -2.1642590239     -3.1627180288
 C      0.9588695478     -2.4121203219     -2.7872399525
 C      1.9698655123     -2.4806869393     -1.9067934608
 C      2.7203174694     -2.3596065624     -0.9284103316
 C      3.1366473820     -1.8691397007      0.2550657738
 C      3.1173730504     -1.1380300767      1.2367946786
 C      2.7955196783     -0.2236206161      2.1897975364
 C      2.3450100629      0.7792515063      2.6948025939
18
# ORCA AIMD Position Step 843, t=843.00 fs, E_Pot=-685.23841823 Hartree, Unit is Angstrom
 C      1.3304562663      1.5121015955      3.1553830788
 C      0.2489722032      2.0531656040      3.1016430726
 C     -0.8990618276      2.4410789113      2.4824601160
 C     -1.8104093655      2.5707484713      1.7140384399
 C     -2.6909639956      2.3047517739      0.6864471444
 C     -3.1755194282      1.5962993320     -0.1845446547
 C     -3.3083915936      0.6980042611     -1.2058969613
 C     -3.0680428951     -0.1475044468     -2.0302125654
 C     -2.3591222731     -1.0529265048     -2.7219465855
 C     -1.3942136785     -1.6792373876     -3.1418799697
 C     -0.1565926934     -2.1567315589     -3.1599515239
 C      0.9571557612     -2.4139119444     -2.7891477082
 C      1.9722680594     -2.4858661952     -1.9121719029
 C      2.7204521207     -2.3590753387     -0.9261076154
 C      3.1408631350     -1.8684983932      0.2560232855
 C      3.1202997199     -1.1468084641      1.2321075800
 C      2.7992809849     -0.2363821664      2.1889881928
 C      2.3475414846      0.7780841049      2.7013486113
18
# ORCA AIMD Position Step 844, t=844.00 fs, E_Pot=-685.23745881 Hartree, Unit is Angstrom
 C      1.3324179298      1.5080644341      3.1587334124
 C      0.2429096135      2.0538025069      3.1068580806
 C     -0.8965936153      2.4378367480      2.4846062600
 C     -1.8065260081      2.5629681112      1.7105399441
 C     -2.7004818564      2.3060954050      0.6879498611
 C     -3.1834463068      1.5998726726     -0.1894313931
 C     -3.3135949699      0.7083200388     -1.2061973236
 C     -3.0683952692     -0.1384703679     -2.0327794087
 C     -2.3575600530     -1.0427918771     -2.7228394446
 C     -1.3892892466     -1.6793352634     -3.1432135719
 C     -0.1603737079     -2.1493640620     -3.1576162761
 C      0.9565085096     -2.4160702119     -2.7905552966
 C      1.9762747561     -2.4909613917     -1.9159662723
 C      2.7192870935     -2.3587465272     -0.9255631855
 C      3.1449171436     -1.8678072381      0.2568538266
 C      3.1232876013     -1.1552969761      1.2280780434
 C      2.8035390691     -0.2489198655      2.1875882381
 C      2.3503894327      0.7756569000      2.7081382962
18
# ORCA AIMD Position Step 845, t=845.00 fs, E_Pot=-685.23645554 Hartree, Unit is Angstrom
 C      1.3336288574      1.5047786160      3.1621150043
 C      0.2371126333      2.0545537229      3.1117423556
 C     -0.8933893915      2.4345875523      2.4876986779
 C     -1.8042400000      2.5551853509      1.7056809233
 C     -2.7095474917      2.3068145962      0.6898593221
 C     -3.1911402173      1.6038512261     -0.1942413450
 C     -3.3189924657      0.7193897030     -1.2057873498
 C     -3.0687175831     -0.1298302309     -2.0355736404
 C     -2.3550447046     -1.0333194684     -2.7244314344
 C     -1.3864905494     -1.6782894664     -3.1441701494
 C     -0.1639678381     -2.1423769754     -3.1556308731
 C      0.9568032631     -2.4185513675     -2.7914734972
 C      1.9817740091     -2.4959336990     -1.9182019633
 C      2.7168673444     -2.3586189337     -0.9267459205
 C      3.1487709432     -1.8675925525      0.2568026017
 C      3.1263302318     -1.1629986395      1.2253662207
 C      2.8079714829     -0.2605489632      2.1859927369
 C      2.3538402686      0.7713090096      2.7147903403
18
# ORCA AIMD Position Step 846, t=846.00 fs, E_Pot=-685.23607861 Hartree, Unit is Angstrom
 C      1.3337369966      1.5023834835      3.1654901757
 C      0.2322645962      2.0551047388      3.1164075145
 C     -0.8899396770      2.4314218323      2.4913722617
 C     -1.8033724699      2.5473669983      1.6996625668
 C     -2.7180915874      2.3068706335      0.6921581732
 C     -3.1985473475      1.6084527743     -0.1986986092
 C     -3.3245461857      0.7308263362     -1.2050879809
 C     -3.0690206706     -0.1214255071     -2.0384411185
 C     -2.3514692130     -1.0245664492     -2.7267443229
 C     -1.3862907976     -1.6758265793     -3.1446617012
 C     -0.1667318460     -2.1359829402     -3.1538853829
 C      0.9578338406     -2.4212869019     -2.7919303072
 C      1.9884769277     -2.5007740839     -1.9191376280
 C      2.7134072774     -2.3586465197     -0.9293759998
 C      3.1523810306     -1.8682712662      0.2552490586
 C      3.1294317588     -1.1695702734      1.2244396117
 C      2.8123272052     -0.2707325440      2.1845399555
 C      2.3580170170      0.7646143466      2.7210464619
18
# ORCA AIMD Position Step 847, t=847.00 fs, E_Pot=-685.23655096 Hartree, Unit is Angstrom
 C      1.3326412299      1.5008749675      3.1687909838
 C      0.2289019350      2.0552140209      3.1209541605
 C     -0.8868826898      2.4284528587      2.4951340002
 C     -1.8035618335      2.5394784465      1.6928631017
 C     -2.7260658812      2.3062402167      0.6948105553
 C     -3.2056288029      1.6138752638     -0.2025446822
 C     -3.3301967273      0.7421800241     -1.2045788819
 C     -3.0693221809     -0.1130742079     -2.0411969534
 C     -2.3469616255     -1.0164273700     -2.7296876081
 C     -1.3888016681     -1.6718769523     -3.1446962467
 C     -0.1681239276     -2.1303589754     -3.1522625711
 C      0.9593619002     -2.4241924067     -2.7919565841
 C      1.9959458356     -2.5055026301     -1.9192313396
 C      2.7092544083     -2.3587550700     -0.9329932424
 C      3.1557074604     -1.8700530590      0.2518681328
 C      3.1326091343     -1.1749043137      1.2254529610
 C      2.8164337574     -0.2791008553      2.1834978362
 C      2.3628534211      0.7554268031      2.7267913727
18
# ORCA AIMD Position Step 848, t=848.00 fs, E_Pot=-685.23754830 Hartree, Unit is Angstrom
 C      1.3304934977      1.5001075590      3.1719240684
 C      0.2273543805      2.0547347883      3.1254500676
 C     -0.8848782370      2.4257929296      2.4984562829
 C     -1.8043422878      2.5314974481      1.6857703299
 C     -2.7334438208      2.3049207806      0.6977633195
 C     -3.2123649180      1.6202690797     -0.2055687361
 C     -3.3358722062      0.7530005390     -1.2047287712
 C     -3.0696405762     -0.1046055456     -2.0436594853
 C     -2.3418655775     -1.0086507498     -2.7330717308
 C     -1.3937390501     -1.6665887048     -3.1443707728
 C     -0.1678087977     -2.1256151179     -3.1506591154
 C      0.9611555737     -2.4271800689     -2.7915822519
 C      2.0036492418     -2.5101645796     -1.9190807866
 C      2.7048439511     -2.3588581754     -0.9370252671
 C      3.1587203191     -1.8728856698      0.2467175369
 C      3.1358909065     -1.1791648777      1.2281924493
 C      2.8202002574     -0.2854622322      2.1830503714
 C      2.3681070859      0.7438783190      2.7320508893
18
# ORCA AIMD Position Step 849, t=849.00 fs, E_Pot=-685.23846668 Hartree, Unit is Angstrom
 C      1.3276535305      1.4998203675      3.1747889197
 C      0.2277133722      2.0536239116      3.1299150506
 C     -0.8844898652      2.4235259357      2.5008664217
 C     -1.8052230405      2.5234242303      1.6789091769
 C     -2.7402232183      2.3029327281      0.7009522267
 C     -3.2187646433      1.6277134277     -0.2076385501
 C     -3.3414980831      0.7629051549     -1.2059318026
 C     -3.0699885409     -0.0958839553     -2.0456805382
 C     -2.3366937836     -1.0008695624     -2.7366329884
 C     -1.4004598362     -1.6603051776     -3.1438555963
 C     -0.1657042168     -2.1217816736     -3.1489985612
 C      0.9630168992     -2.4301695070     -2.7908373762
 C      2.0110383611     -2.5148244812     -1.9193340875
 C      2.7006342611     -2.3588735691     -0.9408817784
 C      3.1614077415     -1.8764724220      0.2402336161
 C      3.1393147577     -1.1827516469      1.2321084854
 C      2.8236208556     -0.2898153970      2.1832858862
 C      2.3734012527      0.7303477592      2.7369748544
18
# ORCA AIMD Position Step 850, t=850.00 fs, E_Pot=-685.23889130 Hartree, Unit is Angstrom
 C      1.3246351077      1.4996720704      3.1772871677
 C      0.2298132622      2.0519466204      3.1343081255
 C     -0.8860739342      2.4216870919      2.5020327064
 C     -1.8057777043      2.5152735957      1.6727517901
 C     -2.7464136923      2.3003253220      0.7043256027
 C     -3.2248675782      1.6361962231     -0.2087322721
 C     -3.3470165157      0.7716501645     -1.2084388408
 C     -3.0703702073     -0.0868302216     -2.0471736915
 C     -2.3320610509     -0.9926453534     -2.7400719569
 C     -1.4080527909     -1.6535172552     -3.1433720775
 C     -0.1619810016     -2.1188069547     -3.1472410287
 C      0.9648130645     -2.4331011984     -2.7897435129
 C      2.0176280196     -2.5195528637     -1.9205893159
 C      2.6970320195     -2.3587440895     -0.9440582715
 C      3.1637805817     -1.8803593206      0.2331084348
 C      3.1429197121     -1.1861948639      1.2364678938
 C      2.8267739742     -0.2923475528      2.1841785382
 C      2.3782713212      0.7154069961      2.7418204532
18
# ORCA AIMD Position Step 851, t=851.00 fs, E_Pot=-685.23884694 Hartree, Unit is Angstrom
 C      1.3220167916      1.4992914327      3.1793420649
 C      0.2332682783      2.0498581996      3.1385283769
 C     -0.8897324619      2.4202545620      2.5018059234
 C     -1.8056938334      2.5070790506      1.6676692401
 C     -2.7520306799      2.2971754718      0.7078545830
 C     -3.2307504285      1.6456038169     -0.2089557329
 C     -3.3523917932      0.7791662423     -1.2123229882
 C     -3.0707780486     -0.0774322028     -2.0481300697
 C     -2.3285765814     -0.9835405682     -2.7430998698
 C     -1.4155074425     -1.6467683731     -3.1431504262
 C     -0.1570074749     -2.1165768442     -3.1453845657
 C      0.9664759557     -2.4359413383     -2.7883224417
 C      2.0230829678     -2.5244118626     -1.9232777162
 C      2.6943211330     -2.3584490465     -0.9462351933
 C      3.1658730614     -1.8840352088      0.2261481454
 C      3.1467387258     -1.1900345668      1.2405041977
 C      2.8298205524     -0.2934348957      2.1855818790
 C      2.3822218727      0.6997585244      2.7469207722
18
# ORCA AIMD Position Step 852, t=852.00 fs, E_Pot=-685.23870330 Hartree, Unit is Angstrom
 C      1.3203654196      1.4983203996      3.1809029774
 C      0.2375338148      2.0475773868      3.1424245511
 C     -0.8952903529      2.4191520379      2.5002421934
 C     -1.8048246335      2.4988871074      1.6638796911
 C     -2.7570776568      2.2935861458      0.7115508430
 C     -3.2365221942      1.6557247416     -0.2085404031
 C     -3.3576184282      0.7855766861     -1.2174605441
 C     -3.0711890123     -0.0677546668     -2.0486278952
 C     -2.3267224725     -0.9732087751     -2.7454942877
 C     -1.4218958194     -1.6405493993     -3.1433811513
 C     -0.1512825455     -2.1149341722     -3.1434622322
 C      0.9680003532     -2.4386822062     -2.7865973039
 C      2.0272715832     -2.5294376738     -1.9275804556
 C      2.6926171324     -2.3580181735     -0.9473409527
 C      3.1677368242     -1.8870332809      0.2201150355
 C      3.1507877194     -1.1947054290      1.2435765669
 C      2.8329880776     -0.2936054350      2.1872366281
 C      2.3847719825      0.6841617921      2.7526480309
18
# ORCA AIMD Position Step 853, t=853.00 fs, E_Pot=-685.23884667 Hartree, Unit is Angstrom
 C      1.3201530205      1.4964573948      3.1819458813
 C      0.2420035922      2.0453444767      3.1458146768
 C     -0.9023116186      2.4182595443      2.4976005862
 C     -1.8032169269      2.4907554528      1.6614200788
 C     -2.7615323625      2.2896823848      0.7154698653
 C     -3.2423120168      1.6662679827     -0.2078182340
 C     -3.3627258928      0.7911813313     -1.2235446259
 C     -3.0715683924     -0.0579363097     -2.0488266287
 C     -2.3267359079     -0.9614881924     -2.7471513642
 C     -1.4265396226     -1.6351936497     -3.1441652750
 C     -0.1453624759     -2.1137051958     -3.1415351374
 C      0.9694254005     -2.4413379552     -2.7845994608
 C      2.0302825681     -2.5346276590     -1.9333953468
 C      2.6918590099     -2.3575294697     -0.9475575738
 C      3.1694285904     -1.8890052318      0.2156084281
 C      3.1550610657     -1.2004613702      1.2452702893
 C      2.8365347241     -0.2934624867      2.1888088044
 C      2.3855073472      0.6693400082      2.7593590459
18
# ORCA AIMD Position Step 854, t=854.00 fs, E_Pot=-685.23937596 Hartree, Unit is Angstrom
 C      1.3216719820      1.4935073186      3.1824718257
 C      0.2461233398      2.0433693631      3.1485113216
 C     -0.9101414789      2.4174308373      2.4943202371
 C     -1.8011154757      2.4827490246      1.6601394525
 C     -2.7653501767      2.2855947186      0.7196942397
 C     -3.2482543262      1.6769018395     -0.2071751300
 C     -3.3677759156      0.7964186236     -1.2301233350
 C     -3.0718741525     -0.0481765758     -2.0489500990
 C     -2.3285278868     -0.9484722914     -2.7481235196
 C     -1.4291201676     -1.6308011651     -3.1454785798
 C     -0.1397920634     -2.1127184985     -3.1396790136
 C      0.9708026817     -2.4439375539     -2.7823754839
 C      2.0323961481     -2.5399411406     -1.9403593795
 C      2.6918435918     -2.3570951103     -0.9472712516
 C      3.1709981910     -1.8897639769      0.2129778512
 C      3.1595340439     -1.2073430575      1.2454499233
 C      2.8407016444     -0.2935783387      2.1899555956
 C      2.3841322081      0.6558699407      2.7673287677
18
# ORCA AIMD Position Step 855, t=855.00 fs, E_Pot=-685.24004412 Hartree, Unit is Angstrom
 C      1.3249674342      1.4894186063      3.1825055850
 C      0.2494959074      2.0417854913      3.1503438001
 C     -0.9179796845      2.4165108843      2.4909687858
 C     -1.7989311041      2.4749357020      1.6597248639
 C     -2.7684806581      2.2814394694      0.7243043969
 C     -3.2544660824      1.6872996958     -0.2069843699
 C     -3.3728541465      0.8017981822     -1.2366729899
 C     -3.0720703294     -0.0386980506     -2.0492484835
 C     -2.3316821896     -0.9345178161     -2.7486204477
 C     -1.4296935033     -1.6272246400     -3.1471707020
 C     -0.1350460765     -2.1118271748     -3.1379696114
 C      0.9721613173     -2.4465099993     -2.7799930223
 C      2.0340222953     -2.5453044259     -1.9479283739
 C      2.6922907516     -2.3568391533     -0.9469699469
 C      3.1724768386     -1.8893118143      0.2122677229
 C      3.1641656130     -1.2151790270      1.2442680707
 C      2.8456524435     -0.2943710733      2.1904129347
 C      2.3805280734      0.6440710300      2.7766809681
18
# ORCA AIMD Position Step 856, t=856.00 fs, E_Pot=-685.24042561 Hartree, Unit is Angstrom
 C      1.3298063680      1.4843021291      3.1820947134
 C      0.2519446350      2.0406222030      3.1511794336
 C     -0.9249767882      2.4153536770      2.4881716444
 C     -1.7971679170      2.4673794256      1.6597677007
 C     -2.7708974750      2.2772949668      0.7293322153
 C     -3.2610257398      1.6971917758     -0.2075430474
 C     -3.3780538037      0.8078189093     -1.2426807849
 C     -3.0721385917     -0.0296985863     -2.0499513530
 C     -2.3355373253     -0.9201823401     -2.7489682522
 C     -1.4286132105     -1.6241204332     -3.1489980893
 C     -0.1314898122     -2.1109153619     -3.1364684032
 C      0.9734843619     -2.4490742336     -2.7775451697
 C      2.0356189616     -2.5506294922     -1.9554870747
 C      2.6929149507     -2.3568730520     -0.9471230615
 C      3.1738672716     -1.8878478889      0.2131950630
 C      3.1689068189     -1.2236042849      1.2421448207
 C      2.8514246164     -0.2960165819      2.1900638491
 C      2.3747983692      0.6339266711      2.7873373302
18
# ORCA AIMD Position Step 857, t=857.00 fs, E_Pot=-685.24020629 Hartree, Unit is Angstrom
 C      1.3356894088      1.4784228188      3.1813076593
 C      0.2535267638      2.0397982247      3.1509301973
 C     -0.9303538407      2.4138383585      2.4865106520
 C     -1.7963081279      2.4601348593      1.6598666469
 C     -2.7726337766      2.2731802517      0.7347170175
 C     -3.2679531854      1.7064027458     -0.2090139742
 C     -3.3834583351      0.8148882544     -1.2477346442
 C     -3.0720991300     -0.0212892989     -2.0512073875
 C     -2.3393163909     -0.9061207919     -2.7495526979
 C     -1.4264094102     -1.6210403822     -3.1506786804
 C     -0.1293381225     -2.1099091039     -3.1352096026
 C      0.9746875508     -2.4516366820     -2.7751493664
 C      2.0376143074     -2.5558300766     -1.9624635283
 C      2.6934937295     -2.3572696838     -0.9480765226
 C      3.1751403723     -1.8857340092      0.2151989272
 C      3.1737121916     -1.2321275458      1.2396869451
 C      2.8579122745     -0.2984250526      2.1889757111
 C      2.3672732815      0.6250859718      2.7990134666
18
# ORCA AIMD Position Step 858, t=858.00 fs, E_Pot=-685.23941462 Hartree, Unit is Angstrom
 C      1.3419402895      1.4721599057      3.1802318083
 C      0.2544772833      2.0391553628      3.1495538598
 C     -0.9335262057      2.4118794879      2.4864154518
 C     -1.7966959796      2.4532374160      1.6597361142
 C     -2.7737925887      2.2690531590      0.7402941056
 C     -3.2752086700      1.7148677112     -0.2114071467
 C     -3.3891193727      0.8232550098     -1.2515866021
 C     -3.0720108795     -0.0134677842     -2.0530600951
 C     -2.3422744150     -0.8929619903     -2.7507413829
 C     -1.4236433225     -1.6175294991     -3.1519470940
 C     -0.1286591837     -2.1087772631     -3.1341944465
 C      0.9756334070     -2.4541844908     -2.7729293131
 C      2.0403347528     -2.5608389022     -1.9684187045
 C      2.6939022491     -2.3580522393     -0.9500019750
 C      3.1762389835     -1.8834482866      0.2175092107
 C      3.1785426659     -1.2401828247      1.2376265070
 C      2.8648840599     -0.3012938033      2.1873782145
 C      2.3584760280      0.6169282185      2.8112574688
18
# ORCA AIMD Position Step 859, t=859.00 fs, E_Pot=-685.23859410 Hartree, Unit is Angstrom
 C      1.3478106193      1.4659479939      3.1789728436
 C      0.2551296990      2.0385010375      3.1470420420
 C     -0.9341941768      2.4094308037      2.4880754369
 C     -1.7984440818      2.4467032959      1.6593002858
 C     -2.7745446776      2.2648183525      0.7457992045
 C     -3.2826995961      1.7226254703     -0.2145862529
 C     -3.3950424208      0.8329755436     -1.2541852379
 C     -3.0719665949     -0.0061093075     -2.0554397240
 C     -2.3438120412     -0.8812188128     -2.7528231443
 C     -1.4207985185     -1.6131946160     -3.1525979701
 C     -0.1293896207     -2.1075386726     -3.1333837674
 C      0.9761554090     -2.4566801594     -2.7710053849
 C      2.0439541597     -2.5656245127     -1.9730990277
 C      2.6941341006     -2.3591876881     -0.9528873776
 C      3.1770820191     -1.8814964725      0.2192943930
 C      3.1833696259     -1.2472197581      1.2366933290
 C      2.8720386868     -0.3042103752      2.1856028642
 C      2.3490413425      0.6086948971      2.8235326225
18
# ORCA AIMD Position Step 860, t=860.00 fs, E_Pot=-685.23830151 Hartree, Unit is Angstrom
 C      1.3526018721      1.4602061687      3.1776297403
 C      0.2558366212      2.0376375401      3.1434297497
 C     -0.9323870167      2.4064846501      2.4914075542
 C     -1.8013859501      2.4405385423      1.6587318685
 C     -2.7751171823      2.2603561378      0.7509063228
 C     -3.2902948309      1.7297905531     -0.2183044109
 C     -3.4011804147      0.8439117031     -1.2556766717
 C     -3.0720773662      0.0009993817     -2.0581765979
 C     -2.3435436492     -0.8712091448     -2.7559715736
 C     -1.4182233306     -1.6077770139     -3.1524998337
 C     -0.1313566767     -2.1062296427     -3.1327229117
 C      0.9760816820     -2.4590860224     -2.7694642935
 C      2.0484792015     -2.5701707418     -1.9764689631
 C      2.6942804858     -2.3606102564     -0.9565406537
 C      3.1775971924     -1.8803079632      0.2198264998
 C      3.1881717961     -1.2528059799      1.2374643032
 C      2.8790532072     -0.3067494292      2.1840126347
 C      2.3396174840      0.5996424329      2.8353042342
18
# ORCA AIMD Position Step 861, t=861.00 fs, E_Pot=-685.23889085 Hartree, Unit is Angstrom
 C      1.3557691159      1.4552743436      3.1762857142
 C      0.2569025151      2.0364002646      3.1387839000
 C     -0.9284347396      2.4030686832      2.4960781396
 C     -1.8051147773      2.4347413726      1.6584193172
 C     -2.7757532484      2.2555500343      0.7552777479
 C     -3.2978467996      1.7365206265     -0.2222490072
 C     -3.4074387456      0.8557580606     -1.2563688716
 C     -3.0724458846      0.0081124999     -2.0610476117
 C     -2.3413385440     -0.8630304007     -2.7602170918
 C     -1.4160946716     -1.6011675337     -3.1516061519
 C     -0.1343163640     -2.1049079618     -3.1321423346
 C      0.9752700940     -2.4613571363     -2.7683529053
 C      2.0537475903     -2.5744800189     -1.9786956628
 C      2.6945111090     -2.3622323934     -0.9606395637
 C      3.1777293802     -1.8801361066      0.2186531082
 C      3.1929304194     -1.2567151462      1.2402258467
 C      2.8856376703     -0.3085549150      2.1829417438
 C      2.3307728723      0.5891660724      2.8461146453
18
# ORCA AIMD Position Step 862, t=862.00 fs, E_Pot=-685.24021257 Hartree, Unit is Angstrom
 C      1.3570007142      1.4513537804      3.1749996575
 C      0.2585424275      2.0346787882      3.1331994981
 C     -0.9228957797      2.3992401454      2.5015736119
 C     -1.8090744668      2.4293077317      1.6588786702
 C     -2.7766694743      2.2503147257      0.7586241847
 C     -3.3052138604      1.7429849810     -0.2260905714
 C     -3.4136891973      0.8680910837     -1.2566798278
 C     -3.0731419783      0.0154706003     -2.0638255035
 C     -2.3373327187     -0.8565496033     -2.7654411242
 C     -1.4144082697     -1.5934141535     -3.1499567499
 C     -0.1379852797     -2.1036456370     -3.1315683931
 C      0.9736296296     -2.4634516030     -2.7676703796
 C      2.0594543913     -2.5785699243     -1.9801139395
 C      2.6950403439     -2.3639550347     -0.9647875290
 C      3.1774545421     -1.8809963078      0.2157151453
 C      3.1976263814     -1.2589768557      1.2448850633
 C      2.8915700726     -0.3093906710      2.1826466098
 C      2.3229196130      0.5768944561      2.8556391613
18
# ORCA AIMD Position Step 863, t=863.00 fs, E_Pot=-685.24172277 Hartree, Unit is Angstrom
 C      1.3562628384      1.4484671020      3.1738035008
 C      0.2608692767      2.0324280213      3.1267937803
 C     -0.9164607104      2.3950809000      2.5072948193
 C     -1.8126783651      2.4242259791      1.6606358892
 C     -2.7780158646      2.2446130439      0.7607543236
 C     -3.3122799982      1.7493400691     -0.2295259729
 C     -3.4197895953      0.8804319707     -1.2570772370
 C     -3.0741891821      0.0232641233     -2.0663199442
 C     -2.3319089831     -0.8514241731     -2.7713904196
 C     -1.4129894494     -1.5847068165     -3.1476688397
 C     -0.1420713534     -2.1025235247     -3.1309292533
 C      0.9711294983     -2.4653284085     -2.7673769178
 C      2.0652054873     -2.5824728155     -1.9811577276
 C      2.6960882309     -2.3656851856     -0.9685889769
 C      3.1767870711     -1.8826659232      0.2113662789
 C      3.2022396775     -1.2598654808      1.2509725701
 C      2.8967197425     -0.3091680445      2.1832820010
 C      2.3162573948      0.5627412727      2.8637201903
18
# ORCA AIMD Position Step 864, t=864.00 fs, E_Pot=-685.24277979 Hartree, Unit is Angstrom
 C      1.3537956274      1.4464462856      3.1727004337
 C      0.2638873274      2.0296706278      3.1196943361
 C     -0.9098429387      2.3906852051      2.5126558523
 C     -1.8154332267      2.4194726135      1.6641160267
 C     -2.7798320189      2.2384675930      0.7616286741
 C     -3.3189685893      1.7557158301     -0.2323148539
 C     -3.4256132926      0.8923156719     -1.2580160229
 C     -3.0755543922      0.0315992884     -2.0684168893
 C     -2.3256469190     -0.8471407536     -2.7777099883
 C     -1.4115275970     -1.5753486307     -3.1449190430
 C     -0.1463055697     -2.1016167808     -3.1301644938
 C      0.9678097579     -2.4669589484     -2.7673984140
 C      2.0705832965     -2.5862245165     -1.9822771623
 C      2.6978365749     -2.3673520820     -0.9717211126
 C      3.1757800628     -1.8847482812      0.2062726127
 C      3.2067491677     -1.2598254088      1.2577554463
 C      2.9010607746     -0.3079575394      2.1848820928
 C      2.3107562587      0.5469098961      2.8703769675
18
# ORCA AIMD Position Step 865, t=865.00 fs, E_Pot=-685.24301738 Hartree, Unit is Angstrom
 C      1.3500627128      1.4449649838      3.1716754230
 C      0.2675082344      2.0264874577      3.1120361045
 C     -0.9037037732      2.3861544585      2.5171493934
 C     -1.8170023210      2.4150142416      1.6695854685
 C     -2.7820530798      2.2319529840      0.7613553996
 C     -3.3252506313      1.7621954727     -0.2343105413
 C     -3.4310560098      0.9033502106     -1.2598853464
 C     -3.0771669394      0.0405103566     -2.0700722900
 C     -2.3192352983     -0.8430917397     -2.7840032104
 C     -1.4096329321     -1.5657086538     -3.1419166471
 C     -0.1504515724     -2.1009928215     -3.1292308290
 C      0.9637566720     -2.4683286318     -2.7676411222
 C      2.0752296201     -2.5898499539     -1.9838447036
 C      2.7003825812     -2.3689275890     -0.9740077516
 C      3.1745232984     -1.8867559053      0.2012725861
 C      3.2111332717     -1.2593743290      1.2643906471
 C      2.9046747967     -0.3059792904      2.1873569819
 C      2.3061850643      0.5298407449      2.8757882651
18
# ORCA AIMD Position Step 866, t=866.00 fs, E_Pot=-685.24251815 Hartree, Unit is Angstrom
 C      1.3456806784      1.4435823673      3.1707073535
 C      0.2715537538      2.0230133212      3.1039445051
 C     -0.8985759626      2.3815839462      2.5204001407
 C     -1.8172604097      2.4108056690      1.6771073359
 C     -2.7844987134      2.2251910505      0.7601989679
 C     -3.3311460882      1.7688038809     -0.2354806456
 C     -3.4360525129      0.9132655643     -1.2629588722
 C     -3.0789208300      0.0499519691     -2.0713254394
 C     -2.3133784042     -0.8386564119     -2.7898796959
 C     -1.4069107726     -1.5561599225     -3.1388723616
 C     -0.1543230756     -2.1007040296     -3.1281038514
 C      0.9591084600     -2.4694408893     -2.7679980225
 C      2.0788881053     -2.5933544541     -1.9860907498
 C      2.7037189039     -2.3704279741     -0.9754524968
 C      3.1731251527     -1.8882112611      0.1972092504
 C      3.2153701317     -1.2589927716      1.2700861339
 C      2.9077456153     -0.3035934839      2.1904942172
 C      2.3021591425      0.5121514754      2.8802629857
18
# ORCA AIMD Position Step 867, t=867.00 fs, E_Pot=-685.24169873 Hartree, Unit is Angstrom
 C      1.3413246189      1.4418099776      3.1697776426
 C      0.2757902008      2.0194143013      3.0955312411
 C     -0.8948161753      2.3770580786      2.5221947314
 C     -1.8163080318      2.4067917707      1.6865330934
 C     -2.7868928084      2.2183429373      0.7585533536
 C     -3.3367183816      1.7755049447     -0.2359054258
 C     -3.4405819496      0.9219375241     -1.2673710203
 C     -3.0806880386      0.0598035842     -2.0722936553
 C     -2.3086795626     -0.8332970820     -2.7950104528
 C     -1.4030621091     -1.5470029526     -3.1359591309
 C     -0.1577893563     -2.1007860048     -3.1267816765
 C      0.9540441842     -2.4703201934     -2.7683594015
 C      2.0814393240     -2.5967150544     -1.9890667550
 C      2.7077316331     -2.3719106751     -0.9762331938
 C      3.1716964160     -1.8887199361      0.1947931132
 C      3.2194387944     -1.2590580018      1.2742130298
 C      2.9105339892     -0.3012529895      2.1939882984
 C      2.2982086072      0.4945474872      2.8841928245
18
# ORCA AIMD Position Step 868, t=868.00 fs, E_Pot=-685.24104350 Hartree, Unit is Angstrom
 C      1.3376336621      1.4391816295      3.1688787902
 C      0.2799521048      2.0158681792      3.0868863368
 C     -0.8925547821      2.3726410138      2.5225075995
 C     -1.8144596259      2.4029168013      1.6975167719
 C     -2.7889076686      2.2115882933      0.7568860788
 C     -3.3420627479      1.7821965300     -0.2357716619
 C     -3.4446668291      0.9294108406     -1.2730884865
 C     -3.0823299127      0.0698780646     -2.0731618668
 C     -2.3055371413     -0.8266489084     -2.7991729078
 C     -1.3979656571     -1.5384024328     -3.1332825804
 C     -0.1607862147     -2.1012530361     -3.1252873807
 C      0.9487786593     -2.4710129723     -2.7686171730
 C      2.0829017523     -2.5998794053     -1.9926461126
 C      2.7122194832     -2.3734598377     -0.9766571888
 C      3.1703317713     -1.8880257314      0.1944956202
 C      3.2233200062     -1.2597904408      1.2763873398
 C      2.9133393480     -0.2994490270      2.1974803060
 C      2.2938596088      0.4777203949      2.8879875055
18
# ORCA AIMD Position Step 869, t=869.00 fs, E_Pot=-685.24081809 Hartree, Unit is Angstrom
 C      1.3351246151      1.4353122597      3.1680168926
 C      0.2837876950      2.0125407719      3.0780792781
 C     -0.8916801436      2.3683708721      2.5215010057
 C     -1.8122281694      2.3991304326      1.7095325328
 C     -2.7902003393      2.2051066349      0.7556890453
 C     -3.3472846512      1.7887263788     -0.2353414860
 C     -3.4483694928      0.9358844405     -1.2799156710
 C     -3.0836996832      0.0799303665     -2.0741730525
 C     -2.3040929951     -0.8185635036     -2.8022663697
 C     -1.3917369913     -1.5303463073     -3.1308672374
 C     -0.1632936216     -2.1021051520     -3.1236598411
 C      0.9435620036     -2.4715838075     -2.7686648776
 C      2.0833881668     -2.6027749471     -1.9965722778
 C      2.7169378753     -2.3751592460     -0.9770873301
 C      3.1690919401     -1.8860430079      0.1964892297
 C      3.2269932135     -1.2612316363      1.2764985771
 C      2.9164487557     -0.2986480973      2.2006176561
 C      2.2887163424      0.4622579207      2.8920058913
18
# ORCA AIMD Position Step 870, t=870.00 fs, E_Pot=-685.24092864 Hartree, Unit is Angstrom
 C      1.3341128886      1.4299548272      3.1672060074
 C      0.2871184553      2.0095490910      3.0691675392
 C     -0.8918399930      2.3642608807      2.5195161900
 C     -1.8102882074      2.3953932783      1.7219119703
 C     -2.7904680112      2.1990515673      0.7554002549
 C     -3.3524727525      1.7949222147     -0.2348910091
 C     -3.4517863499      0.9416857043     -1.2875202353
 C     -3.0846529176      0.0896737473     -2.0756079761
 C     -2.3042088086     -0.8091263138     -2.8043159407
 C     -1.3847373903     -1.5226414825     -3.1286546929
 C     -0.1653393492     -2.1033240569     -3.1219533005
 C      0.9386726729     -2.4721145827     -2.7684011285
 C      2.0830771303     -2.6053177839     -2.0005072803
 C      2.7216343579     -2.3770708031     -0.9778659125
 C      3.1679931907     -1.8828806240      0.2005974486
 C      3.2304418201     -1.2632434912      1.2747246144
 C      2.9200672808     -0.2991987679      2.2031346131
 C      2.2825416668      0.4485483449      2.8964795809
18
# ORCA AIMD Position Step 871, t=871.00 fs, E_Pot=-685.24101567 Hartree, Unit is Angstrom
 C      1.3346591821      1.4230402274      3.1664611869
 C      0.2898989487      2.0069284471      3.0602085422
 C     -0.8925047892      2.3603061399      2.5170172253
 C     -1.8093999232      2.3916797010      1.7339189158
 C     -2.7895015194      2.1935253655      0.7563292358
 C     -3.3576688473      1.8006284868     -0.2346410867
 C     -3.4550335383      0.9472127408     -1.2954897040
 C     -3.0850634311      0.0988216572     -2.0777478777
 C     -2.3055122944     -0.7986182434     -2.8054513664
 C     -1.3775147743     -1.5149553363     -3.1265239454
 C     -0.1669842007     -2.1048780579     -3.1202292735
 C      0.9343883891     -2.4726944772     -2.7677383499
 C      2.0821759011     -2.6074263913     -2.0040934245
 C      2.7260893482     -2.3792183062     -0.9792467516
 C      3.1670046316     -1.8788371562      0.2062990123
 C      3.2336561790     -1.2655301392      1.2715094534
 C      2.9242640418     -0.3012656751      2.2049163915
 C      2.2753151783      0.4367150955      2.9014611246
18
# ORCA AIMD Position Step 872, t=872.00 fs, E_Pot=-685.24074609 Hartree, Unit is Angstrom
 C      1.3365627171      1.4146850497      3.1657929554
 C      0.2922426548      2.0046176391      3.0512668865
 C     -0.8930713493      2.3564905074      2.5145064327
 C     -1.8103054566      2.3879766814      1.7448485447
 C     -2.7872242956      2.1885606184      0.7586012101
 C     -3.3628451185      1.8057392936     -0.2346989709
 C     -3.4582266476      0.9528696848     -1.3034009645
 C     -3.0848445451      0.1071375959     -2.0808292939
 C     -2.3074853454     -0.7874422422     -2.8058722396
 C     -1.3706950721     -1.5068923655     -3.1243249461
 C     -0.1683137579     -2.1067230747     -3.1185479952
 C      0.9309585067     -2.4734105462     -2.7666087347
 C      2.0808847838     -2.6090328647     -2.0070052595
 C      2.7301411949     -2.3815806643     -0.9813572135
 C      3.1660552134     -1.8743762856      0.2127732871
 C      3.2366412662     -1.2676730712      1.2675170213
 C      2.9289466654     -0.3048039541      2.2060311899
 C      2.2672504621      0.4266014655      2.9068080878
18
# ORCA AIMD Position Step 873, t=873.00 fs, E_Pot=-685.24011949 Hartree, Unit is Angstrom
 C      1.3394077583      1.4051646480      3.1652052146
 C      0.2944029019      2.0024709396      3.0424173351
 C     -0.8930009595      2.3527974940      2.5124160042
 C     -1.8135964220      2.3842801822      1.7541439706
 C     -2.7837111086      2.1841157910      0.7621341874
 C     -3.3678975974      1.8102126123     -0.2350307267
 C     -3.4614574359      0.9589964802     -1.3108929852
 C     -3.0839692225      0.1144906123     -2.0849950501
 C     -2.3095686070     -0.7760395891     -2.8058086002
 C     -1.3648583743     -1.4980778200     -3.1219114469
 C     -0.1694271254     -2.1088021803     -3.1169576072
 C      0.9285725842     -2.4743373943     -2.7649707095
 C      2.0793729889     -2.6100935169     -2.0089896173
 C      2.7337005819     -2.3840961386     -0.9841926239
 C      3.1650446265     -1.8700661035      0.2190087283
 C      3.2394151995     -1.2691901754      1.2635422622
 C      2.9338808214     -0.3095862807      2.2067112950
 C      2.2587640152      0.4178118654      2.9122157172
18
# ORCA AIMD Position Step 874, t=874.00 fs, E_Pot=-685.23951042 Hartree, Unit is Angstrom
 C      1.3426509790      1.3948604491      3.1646966502
 C      0.2967162802      2.0002894470      3.0337418807
 C     -0.8919572968      2.3492187554      2.5110038542
 C     -1.8195860079      2.3805913775      1.7615015768
 C     -2.7791818266      2.1800878441      0.7666551822
 C     -3.3726533481      1.8140655644     -0.2354719701
 C     -3.4647701684      0.9658106465     -1.3177206482
 C     -3.0824888735      0.1208975161     -2.0902573674
 C     -2.3112528859     -0.7648182105     -2.8054865097
 C     -1.3604347116     -1.4882331178     -3.1191694838
 C     -0.1704272099     -2.1110489567     -3.1154860366
 C      0.9273351424     -2.4755238287     -2.7628158435
 C      2.0777614354     -2.6105907374     -2.0098876936
 C      2.7367484864     -2.3866725405     -0.9876280871
 C      3.1638638341     -1.8664903451      0.2239633272
 C      3.2420088069     -1.2696210954      1.2603739300
 C      2.9387436838     -0.3152693622      2.2072954547
 C      2.2503988518      0.4098052335      2.9172890400
18
# ORCA AIMD Position Step 875, t=875.00 fs, E_Pot=-685.23938112 Hartree, Unit is Angstrom
 C      1.3457253623      1.3841924931      3.1642643627
 C      0.2995252019      1.9978655138      3.0253237308
 C     -0.8898951701      2.3457599766      2.5102939401
 C     -1.8282209910      2.3769145222      1.7669330498
 C     -2.7739737485      2.1763350594      0.7717442679
 C     -3.3768983642      1.8173538247     -0.2357747891
 C     -3.4681489792      0.9733810936     -1.3237768332
 C     -3.0805384362      0.1265337698     -2.0964832384
 C     -2.3121434025     -0.7541044388     -2.8051030740
 C     -1.3576362134     -1.4772289758     -3.1160345748
 C     -0.1714096526     -2.1133843313     -3.1141356417
 C      0.9272455182     -2.4769869105     -2.7601714308
 C      2.0761159918     -2.6105352485     -2.0096449845
 C      2.7393301416     -2.3891999766     -0.9914447372
 C      3.1624190074     -1.8641393455      0.2267557911
 C      3.2444549149     -1.2686259237      1.2586316543
 C      2.9431902291     -0.3214689340      2.2081558262
 C      2.2427307951      0.4020036602      2.9216245406
18
# ORCA AIMD Position Step 876, t=876.00 fs, E_Pot=-685.23987903 Hartree, Unit is Angstrom
 C      1.3481383910      1.3735508941      3.1639069548
 C      0.3030986841      1.9950242585      3.0172362027
 C     -0.8870670975      2.3424399478      2.5100814890
 C     -1.8390688725      2.3732590634      1.7707600156
 C     -2.7685036073      2.1727023529      0.7768978893
 C     -3.3804131922      1.8201455923     -0.2356708749
 C     -3.4715160406      0.9816316917     -1.3290836674
 C     -3.0783259375      0.1317126434     -2.1034084944
 C     -2.3120013177     -0.7441120495     -2.8048087701
 C     -1.3564262993     -1.4651149395     -3.1125015905
 C     -0.1724525880     -2.1157176169     -3.1128808267
 C      0.9281894024     -2.4787073520     -2.7571007522
 C      2.0744489386     -2.6099651489     -2.0083084146
 C      2.7415403767     -2.3915640063     -0.9953613934
 C      3.1606533976     -1.8633061200      0.2268503180
 C      3.2467795348     -1.2660792246      1.2586048354
 C      2.9469136593     -0.3278254552      2.2096340264
 C      2.2362779216      0.3939001221      2.9248823638
18
# ORCA AIMD Position Step 877, t=877.00 fs, E_Pot=-685.24068503 Hartree, Unit is Angstrom
 C      1.3495511638      1.3632316703      3.1636249243
 C      0.3075723099      1.9916581762      3.0095307520
 C     -0.8839464991      2.3392831813      2.5100010434
 C     -1.8513922359      2.3696399866      1.7735417993
 C     -2.7632209425      2.1690471840      0.7815956576
 C     -3.3830075444      1.8224966755     -0.2349330583
 C     -3.4747442608      0.9903741094     -1.3337586764
 C     -3.0761075826      0.1368383865     -2.1106799191
 C     -2.3107656664     -0.7349231337     -2.8046932389
 C     -1.3565247596     -1.4521227191     -3.1086262268
 C     -0.1736068163     -2.1179516185     -3.1116679416
 C      0.9299469444     -2.4806268499     -2.7537034995
 C      2.0727264576     -2.6089422840     -2.0060114436
 C      2.7435085878     -2.3936578641     -0.9990691368
 C      3.1585633701     -1.8640184803      0.2241754810
 C      3.2489920624     -1.2621264940      1.2601547342
 C      2.9496880556     -0.3340522656      2.2119922885
 C      2.2314227350      0.3851402306      2.9268409255
18
# ORCA AIMD Position Step 878, t=878.00 fs, E_Pot=-685.24118738 Hartree, Unit is Angstrom
 C      1.3498223764      1.3533904328      3.1634198534
 C      0.3129166835      1.9877437804      3.0022247538
 C     -0.8810993273      2.3363101627      2.5096271108
 C     -1.8642861549      2.3660801197      1.7759641910
 C     -2.7585570116      2.1652538741      0.7853640292
 C     -3.3845508321      1.8244349733     -0.2334234744
 C     -3.4776805421      0.9993617835     -1.3379714867
 C     -3.0741514280      0.1423444964     -2.1179113324
 C     -2.3085550533     -0.7264805721     -2.8047799490
 C     -1.3574448705     -1.4386390146     -3.1045164361
 C     -0.1748848299     -2.1199877362     -3.1104210567
 C      0.9322093053     -2.4826580087     -2.7501068551
 C      2.0708821712     -2.6075480166     -2.0029512058
 C      2.7453815763     -2.3953923072     -1.0022704228
 C      3.1562033894     -1.8660380361      0.2191242376
 C      3.2510825158     -1.2571685838      1.2627344057
 C      2.9513998213     -0.3399708904      2.2153804977
 C      2.2283561709      0.3755725827      2.9274290744
18
# ORCA AIMD Position Step 879, t=879.00 fs, E_Pot=-685.24094533 Hartree, Unit is Angstrom
 C      1.3490083097      1.3440263754      3.1632930173
 C      0.3189390607      1.9833419693      2.9952944323
 C     -0.8790526926      2.3335274767      2.5085681170
 C     -1.8768343047      2.3626064031      1.7787192708
 C     -2.7548794673      2.1612463100      0.7878335262
 C     -3.3849858775      1.8259532188     -0.2311184378
 C     -3.4801729375      1.0083441237     -1.3419001156
 C     -3.0727037150      0.1486373993     -2.1247414631
 C     -2.3056404870     -0.7186002064     -2.8050327998
 C     -1.3585576908     -1.4251533130     -3.1003203799
 C     -0.1762608065     -2.1217376350     -3.1090483644
 C      0.9346096275     -2.4846943431     -2.7464519395
 C      2.0688395459     -2.6058707371     -1.9993487267
 C      2.7472983544     -2.3967071910     -1.0047213722
 C      3.1536749869     -1.8689266801      0.2124394553
 C      3.2530306907     -1.2517790746      1.2655171977
 C      2.9520629316     -0.3455367997      2.2198182111
 C      2.2270570949      0.3652635441      2.9267360360
18
# ORCA AIMD Position Step 880, t=880.00 fs, E_Pot=-685.23999726 Hartree, Unit is Angstrom
 C      1.3473231004      1.3350026225      3.1632447813
 C      0.3253152758      1.9785821746      2.9886774541
 C     -0.8782025060      2.3309235571      2.5065297194
 C     -1.8882380728      2.3592442093      1.7824041714
 C     -2.7524505355      2.1569934280      0.7887850903
 C     -3.3843341991      1.8270096991     -0.2281153568
 C     -3.4820921449      1.0171103823     -1.3456980431
 C     -3.0719599146      0.1560487294     -2.1308775769
 C     -2.3023929198     -0.7110081895     -2.8053703511
 C     -1.3591824913     -1.4121907392     -3.0962010185
 C     -0.1776735905     -2.1231267718     -3.1074524788
 C      0.9367592297     -2.4866218259     -2.7428841466
 C      2.0665335857     -2.6039984079     -1.9954104947
 C      2.7493680290     -2.3975786787     -1.0062680715
 C      3.1511127993     -1.8721439316      0.2050464341
 C      3.2548110911     -1.2465889033      1.2675777387
 C      2.9518197728     -0.3508483274      2.2251874431
 C      2.2273049933      0.3544747630      2.9249985731
18
# ORCA AIMD Position Step 881, t=881.00 fs, E_Pot=-685.23883160 Hartree, Unit is Angstrom
 C      1.3450721195      1.3260951773      3.1632750707
 C      0.3316422243      1.9736370352      2.9822845634
 C     -0.8787637320      2.3284682670      2.5033469085
 C     -1.8979105477      2.3560097018      1.7874401506
 C     -2.7513931409      2.1525160022      0.7881895317
 C     -3.3826926407      1.8275333726     -0.2246242157
 C     -3.4833479141      1.0255162796     -1.3494692753
 C     -3.0720454411      0.1648025882     -2.1361272914
 C     -2.2992075768     -0.7033980128     -2.8056896473
 C     -1.3586915251     -1.4002356868     -3.0923109004
 C     -0.1790352654     -2.1240983191     -3.1055413267
 C      0.9382874993     -2.4883330484     -2.7395398463
 C      2.0639305498     -2.6020098591     -1.9912952680
 C      2.7516493753     -2.3980205419     -1.0068710967
 C      3.1486667492     -1.8751420477      0.1978912551
 C      3.2563978644     -1.2421780393      1.2680625400
 C      2.9509297412     -0.3561432206      2.2312363853
 C      2.2287217661      0.3436173195      2.9225721435
18
# ORCA AIMD Position Step 882, t=882.00 fs, E_Pot=-685.23811551 Hartree, Unit is Angstrom
 C      1.3425761307      1.3170556739      3.1633829290
 C      0.3374966655      1.9686921751      2.9760160441
 C     -0.8807481177      2.3261155276      2.4989971595
 C     -1.9055360997      2.3529063958      1.7940170880
 C     -2.7516697624      2.1478910949      0.7862339993
 C     -3.3802256136      1.8274298200     -0.2209565207
 C     -3.4839003591      1.0334998139     -1.3532521439
 C     -3.0730063958      0.1749925726     -2.1404123936
 C     -2.2964155555     -0.6955009092     -2.8058960813
 C     -1.3566145342     -1.3896592300     -3.0887664352
 C     -0.1802489217     -2.1246148573     -3.1032377844
 C      0.9388815915     -2.4897357455     -2.7365336859
 C      2.0610384102     -2.5999665534     -1.9870916690
 C      2.7541394472     -2.3980837407     -1.0066122805
 C      3.1464851339     -1.8774450528      0.1918078947
 C      3.2577679621     -1.2389923009      1.2663190557
 C      2.9497449720     -0.3617765052      2.2375985965
 C      2.2308320182      0.3331903390      2.9198879063
18
# ORCA AIMD Position Step 883, t=883.00 fs, E_Pot=-685.23828174 Hartree, Unit is Angstrom
 C      1.3401017891      1.3076778110      3.1635646219
 C      0.3424911164      1.9639145970      2.9697793893
 C     -0.8839556524      2.3238077930      2.4936047144
 C     -1.9110983386      2.3499239267      1.8020631310
 C     -2.7530798476      2.1432528687      0.7833246533
 C     -3.3771585494      1.8265876868     -0.2175067865
 C     -3.4837664052      1.0410872547     -1.3570072545
 C     -3.0748027979      0.1865684736     -2.1437745168
 C     -2.2942060823     -0.6871519952     -2.8059303467
 C     -1.3527244812     -1.3806632436     -3.0856271450
 C     -0.1812270131     -2.1246546035     -3.1004903522
 C      0.9383221702     -2.4907655276     -2.7339454923
 C      2.0579040343     -2.5979111636     -1.9828216347
 C      2.7567742745     -2.3978441428     -1.0056742492
 C      3.1447007447     -1.8787009185      0.1874265142
 C      3.2589019484     -1.2372970850      1.2619760537
 C      2.9486691153     -0.3681719211      2.2438289960
 C      2.2331351785      0.3237073010      2.9173980969
18
# ORCA AIMD Position Step 884, t=884.00 fs, E_Pot=-685.23930590 Hartree, Unit is Angstrom
 C      1.3378066311      1.2978510163      3.1638096668
 C      0.3463238974      1.9594267064      2.9635050667
 C     -0.8879755139      2.3214794831      2.4874391333
 C     -1.9148795236      2.3470394511      1.8112472927
 C     -2.7552869625      2.1387835853      0.7800514912
 C     -3.3737612356      1.8248924521     -0.2147196201
 C     -3.4830217106      1.0483908975     -1.3606142760
 C     -3.0773094989      0.1993308172     -2.1463753890
 C     -2.2925796756     -0.6783310228     -2.8057826823
 C     -1.3470838145     -1.3732495875     -3.0828846828
 C     -0.1819124268     -2.1242059979     -3.0972819658
 C      0.9365132953     -2.4913912910     -2.7318112804
 C      2.0546009090     -2.5958696148     -1.9784550787
 C      2.7594439375     -2.3973910634     -1.0043029960
 C      3.1434185170     -1.8787210590      0.1851044327
 C      3.2597837253     -1.2371539535      1.2549862022
 C      2.9480905981     -0.3757452880      2.2494703678
 C      2.2351917465      0.3156087464      2.9155039343
18
# ORCA AIMD Position Step 885, t=885.00 fs, E_Pot=-685.24071616 Hartree, Unit is Angstrom
 C      1.3357040894      1.2875877483      3.1640984190
 C      0.3488169158      1.9552836469      2.9571553741
 C     -0.8922127142      2.3190661235      2.4808950397
 C     -1.9174210210      2.3442272166      1.8210279303
 C     -2.7578780742      2.1346847244      0.7771032357
 C     -3.3703142753      1.8222501142     -0.2130319354
 C     -3.4817931192      1.0555967093     -1.3638854329
 C     -3.0803281045      0.2129405170     -2.1484858692
 C     -2.2913498243     -0.6691617348     -2.8054929049
 C     -1.3400359744     -1.3672225340     -3.0804677860
 C     -0.1822960383     -2.1232643946     -3.0936340410
 C      0.9335066273     -2.4916233563     -2.7301124980
 C      2.0512092600     -2.5938521162     -1.9739376661
 C      2.7620144193     -2.3968084742     -1.0027561785
 C      3.1426972467     -1.8775125937      0.1848687977
 C      3.2604064588     -1.2384132173      1.2456433259
 C      2.9482998591     -0.3848129996      2.2541420997
 C      2.2367171631      0.3091677823      2.9144756007
18
# ORCA AIMD Position Step 886, t=886.00 fs, E_Pot=-685.24181588 Hartree, Unit is Angstrom
 C      1.3336612385      1.2770268935      3.1643999943
 C      0.3499339088      1.9514617685      2.9507268988
 C     -0.8959529568      2.3165050491      2.4744452920
 C     -1.9194440606      2.3414587660      1.8307391879
 C     -2.7604497206      2.1311420822      0.7751422161
 C     -3.3670599893      1.8186169823     -0.2127794659
 C     -3.4802459136      1.0629372133     -1.3665989083
 C     -3.0836030242      0.2269619690     -2.1504632541
 C     -2.2901914555     -0.6598690066     -2.8051343844
 C     -1.3321367707     -1.3622313249     -3.0782589268
 C     -0.1824270595     -2.1218223665     -3.0896030712
 C      0.9294995080     -2.4915131177     -2.7287727523
 C      2.0477894818     -2.5918608302     -1.9692165201
 C      2.7643573922     -2.3961626343     -1.0012556321
 C      3.1425447294     -1.8752938554      0.1863813647
 C      3.2607797715     -1.2407243366      1.2345711226
 C      2.9494167324     -0.3955088326      2.2576230523
 C      2.2376498898      0.3044126359      2.9143899403
18
# ORCA AIMD Position Step 887, t=887.00 fs, E_Pot=-685.24208688 Hartree, Unit is Angstrom
 C      1.3314285790      1.2664039938      3.1646735012
 C      0.3497707426      1.9478664379      2.9442473225
 C     -0.8984745014      2.3137433582      2.4685669747
 C     -1.9217190369      2.3387105357      1.8397103251
 C     -2.7626973577      2.1282847137      0.7746716753
 C     -3.3641491231      1.8140307501     -0.2141025524
 C     -3.4785600516      1.0706446397     -1.3685512850
 C     -3.0868514033      0.2409191596     -2.1527067730
 C     -2.2887231956     -0.6507134120     -2.8047893477
 C     -1.3240465826     -1.3578391784     -3.0761197929
 C     -0.1824094729     -2.1198655779     -3.0852739928
 C      0.9248128399     -2.4911551489     -2.7276651754
 C      2.0443609197     -2.5898935816     -1.9642671438
 C      2.7663764405     -2.3954862946     -0.9999489661
 C      3.1429202464     -1.8724855420      0.1889547132
 C      3.2609344865     -1.2435675636      1.2226750789
 C      2.9513579441     -0.4077480509      2.2598939304
 C      2.2381680239      0.3011086133      2.9151126741
18
# ORCA AIMD Position Step 888, t=888.00 fs, E_Pot=-685.24141701 Hartree, Unit is Angstrom
 C      1.3286981872      1.2560015553      3.1648743737
 C      0.3485225003      1.9443473557      2.9377698562
 C     -0.8991859936      2.3107431023      2.4636492353
 C     -1.9249098671      2.3359670988      1.8473901303
 C     -2.7644808770      2.1261584634      0.7759296283
 C     -3.3616026971      1.8086315703     -0.2168742566
 C     -3.4768984146      1.0788938011     -1.3696183443
 C     -3.0898014062      0.2543665137     -2.1555995851
 C     -2.2865893360     -0.6419289661     -2.8045262262
 C     -1.3164201457     -1.3535987970     -3.0739179804
 C     -0.1823982896     -2.1173737310     -3.0807506397
 C      0.9198566333     -2.4906649137     -2.7266228225
 C      2.0409002185     -2.5879466294     -1.9590996428
 C      2.7680095329     -2.3947924829     -0.9989075024
 C      3.1437336548     -1.8696641185      0.1916286258
 C      3.2609309120     -1.2463085396      1.2110534340
 C      2.9538670904     -0.4212434777      2.2611239080
 C      2.2386436492      0.2988073677      2.9163370341
18
# ORCA AIMD Position Step 889, t=889.00 fs, E_Pot=-685.24025659 Hartree, Unit is Angstrom
 C      1.3251765827      1.2460886787      3.1649559177
 C      0.3464424156      1.9407309773      2.9313634972
 C     -0.8977774852      2.3074882310      2.4599065860
 C     -1.9294209303      2.3332208450      1.8534462851
 C     -2.7658357528      2.1247212542      0.7788700957
 C     -3.3593096730      1.8026659603     -0.2206858248
 C     -3.4753826831      1.0877442287     -1.3698155222
 C     -3.0922229917      0.2669460624     -2.1594555687
 C     -2.2835229733     -0.6336754867     -2.8043818314
 C     -1.3098161757     -1.3491192407     -3.0715481342
 C     -0.1825725198     -2.1143184761     -3.0761400456
 C      0.9150700605     -2.4901657142     -2.7254618254
 C      2.0373403635     -2.5860218216     -1.9537664802
 C      2.7692334349     -2.3940770809     -0.9981377350
 C      3.1448758722     -1.8674686290      0.1933331669
 C      3.2608516628     -1.2482958318      1.2008391287
 C      2.9565767849     -0.4355679042      2.2616204230
 C      2.2395419536      0.2969508571      2.9176656911
18
# ORCA AIMD Position Step 890, t=890.00 fs, E_Pot=-685.23932616 Hartree, Unit is Angstrom
 C      1.3206633163      1.2368570843      3.1648708199
 C      0.3437978837      1.9368490879      2.9251058604
 C     -0.8943096703      2.3039892582      2.4573339094
 C     -1.9353042592      2.3304718468      1.8578107427
 C     -2.7669404870      2.1238606144      0.7832058734
 C     -3.3570608353      1.7964647174     -0.2248991024
 C     -3.4740749749      1.0971005651     -1.3693335891
 C     -3.0939539312      0.2784348907     -2.1644709618
 C     -2.2793907737     -0.6260083643     -2.8043536312
 C     -1.3046243777     -1.3441226139     -3.0689446322
 C     -0.1831071365     -2.1106705822     -3.0715382176
 C      0.9108572049     -2.4897679111     -2.7240075501
 C      2.0335802874     -2.5841288863     -1.9483640429
 C      2.7700602644     -2.3933272576     -0.9975961603
 C      3.1462425934     -1.8664746816      0.1931043936
 C      3.2607912788     -1.2489900343      1.1929950754
 C      2.9590888793     -0.4502282618      2.2617600935
 C      2.2413001887      0.2949995180      2.9187055117
18
# ORCA AIMD Position Step 891, t=891.00 fs, E_Pot=-685.23914802 Hartree, Unit is Angstrom
 C      1.3150997214      1.2283827094      3.1645720370
 C      0.3408347143      1.9325655067      2.9190859968
 C     -0.8892119580      2.3002911649      2.4557232162
 C     -1.9422499067      2.3277291126      1.8606682766
 C     -2.7680690790      2.1234175195      0.7884829467
 C     -3.3546018892      1.7904019097     -0.2287451066
 C     -3.4729720477      1.1067092807     -1.3685377718
 C     -3.0949018580      0.2887504510     -2.1707002008
 C     -2.2742123016     -0.6188722425     -2.8043984205
 C     -1.3010544207     -1.3384625065     -3.0660863887
 C     -0.1841329684     -2.1064081224     -3.0670194054
 C      0.9075424062     -2.4895602343     -2.7221137099
 C      2.0295050282     -2.5822861378     -1.9430264594
 C      2.7705181550     -2.3925365775     -0.9972411029
 C      3.1477798681     -1.8670452929      0.1903422299
 C      3.2608263448     -1.2480886066      1.1881098243
 C      2.9610347710     -0.4647289087      2.2619222354
 C      2.2442427414      0.2925199178      2.9191280449
18
# ORCA AIMD Position Step 892, t=892.00 fs, E_Pot=-685.23959879 Hartree, Unit is Angstrom
 C      1.3086066878      1.2206071368      3.1640181266
 C      0.3377671794      1.9277880896      2.9133905890
 C     -0.8832045997      2.2964645049      2.4547146503
 C     -1.9496778759      2.3249998716      1.8623855262
 C     -2.7695172203      2.1232199686      0.7941921671
 C     -3.3516917034      1.7848646376     -0.2314457315
 C     -3.4720147464      1.1161918166     -1.3679179728
 C     -3.0950401769      0.2979356251     -2.1780656811
 C     -2.2681622332     -0.6121083961     -2.8044372664
 C     -1.2991231338     -1.3321349976     -3.0630005214
 C     -0.1857042837     -2.1015337660     -3.0626286679
 C      0.9053162375     -2.4895893260     -2.7196852914
 C      2.0250092981     -2.5805218824     -1.9378976081
 C      2.7706340445     -2.3917186811     -0.9970682370
 C      3.1495006393     -1.8692248664      0.1849812965
 C      3.2610093888     -1.2456287594      1.1862387522
 C      2.9621225362     -0.4786187912      2.2624538689
 C      2.2485046839      0.2892633922      2.9187238513
18
# ORCA AIMD Position Step 893, t=893.00 fs, E_Pot=-685.24005691 Hartree, Unit is Angstrom
 C      1.3014841771      1.2133295519      3.1631692934
 C      0.3347502753      1.9224821878      2.9081028269
 C     -0.8771614740      2.2926037828      2.4538749748
 C     -1.9568619239      2.3222949805      1.8634231591
 C     -2.7715363437      2.1231161615      0.7998801910
 C     -3.3481585131      1.7801751855     -0.2323632784
 C     -3.4711012309      1.1251134599     -1.3680075673
 C     -3.0944004876      0.3061332944     -2.1863790598
 C     -2.2615612866     -0.6054598653     -2.8043669377
 C     -1.2986473101     -1.3252855709     -3.0597565162
 C     -0.1877738105     -2.0960808741     -3.0583687594
 C      0.9041932432     -2.4898460026     -2.7166938824
 C      2.0200064476     -2.5788740121     -1.9331302585
 C      2.7704356921     -2.3909089559     -0.9971103298
 C      3.1514892919     -1.8727124481      0.1775361993
 C      3.2613590413     -1.2420010424      1.1868674519
 C      2.9621705484     -0.4915425476      2.2636299619
 C      2.2540038697      0.2852024264      2.9174321114
18
# ORCA AIMD Position Step 894, t=894.00 fs, E_Pot=-685.23995814 Hartree, Unit is Angstrom
 C      1.2941593718      1.2062475695      3.1619921143
 C      0.3318855088      1.9166574243      2.9032882994
 C     -0.8719590664      2.2888076269      2.4527802201
 C     -1.9630805253      2.3196242080      1.8642435637
 C     -2.7742987539      2.1229995093      0.8052267203
 C     -3.3439247768      1.7765440309     -0.2311100135
 C     -3.4701104935      1.1330742469     -1.3692778978
 C     -3.0930510787      0.3135482029     -2.1953891354
 C     -2.2548289531     -0.5986061358     -2.8040726678
 C     -1.2992846552     -1.3181693522     -3.0564541960
 C     -0.1901897613     -2.0901178349     -3.0542021779
 C      0.9040074419     -2.4902658354     -2.7131833249
 C      2.0144451224     -2.5773857187     -1.9288540058
 C      2.7699414320     -2.3901626400     -0.9974487501
 C      3.1538830619     -1.8769498221      0.1689547138
 C      3.2618747172     -1.2378523555      1.1890649433
 C      2.9611161463     -0.5032738455      2.2656334735
 C      2.2604609232      0.2805128283      2.9153365959
18
# ORCA AIMD Position Step 895, t=895.00 fs, E_Pot=-685.23926160 Hartree, Unit is Angstrom
 C      1.2871122664      1.1990105315      3.1604594663
 C      0.3292276540      1.9103492158      2.8989924695
 C     -0.8683446771      2.2851610648      2.4510807887
 C     -1.9677356976      2.3169979901      1.8652346556
 C     -2.7778735447      2.1228230721      0.8100871423
 C     -3.3390175141      1.7740342576     -0.2276139006
 C     -3.4689208374      1.1397801791     -1.3720483322
 C     -3.0910831176      0.3204189885     -2.2048248967
 C     -2.2484182947     -0.5912118235     -2.8034476048
 C     -1.3006021558     -1.3111028844     -3.0532053030
 C     -0.1927166258     -2.0837395516     -3.0500599017
 C      0.9044390273     -2.4907310221     -2.7092675530
 C      2.0083277270     -2.5761025231     -1.9251499519
 C      2.7691527193     -2.3895530209     -0.9982038979
 C      3.1568382699     -1.8812703484      0.1603743224
 C      3.2625518661     -1.2339267875      1.1917255262
 C      2.9590138432     -0.5137349915      2.2685398402
 C      2.2674508121      0.2755301551      2.9126438852
18
# ORCA AIMD Position Step 896, t=896.00 fs, E_Pot=-685.23844979 Hartree, Unit is Angstrom
 C      1.2807890488      1.1912876272      3.1585507077
 C      0.3267966634      1.9036033050      2.8952418821
 C     -0.8668429909      2.2817293755      2.4485417843
 C     -1.9704267889      2.3144236331      1.8666642148
 C     -2.7822227700      2.1225968115      0.8145072586
 C     -3.3335668759      1.7725572394     -0.2221317070
 C     -3.4674208156      1.1450839102     -1.3764377123
 C     -3.0886043792      0.3269923074     -2.2144228895
 C     -2.2427354148     -0.5829822697     -2.8024259960
 C     -1.3021580703     -1.3044037982     -3.0501185802
 C     -0.1950691446     -2.0770669944     -3.0458484871
 C      0.9050550841     -2.4910968564     -2.7051088221
 C      2.0017148640     -2.5750644765     -1.9220375759
 C      2.7680629462     -2.3891494303     -0.9995108410
 C      3.1604984272     -1.8850370719      0.1528826460
 C      3.2633933260     -1.2309193461      1.1938058602
 C      2.9560200200     -0.5229961706      2.2723064287
 C      2.2744739024      0.2706813762      2.9096441803
18
# ORCA AIMD Position Step 897, t=897.00 fs, E_Pot=-685.23815680 Hartree, Unit is Angstrom
 C      1.2755359059      1.1828326840      3.1562486682
 C      0.3245918217      1.8964576750      2.8920458835
 C     -0.8677004210      2.2785464749      2.4450720809
 C     -1.9709897414      2.3119137954      1.8686526779
 C     -2.7872103905      2.1223911274      0.8187110517
 C     -3.3277897772      1.7718890608     -0.2152148015
 C     -3.4655185740      1.1489808886     -1.3823561290
 C     -3.0857374515      0.3335037119     -2.2239465943
 C     -2.2380645051     -0.5737294296     -2.8009967312
 C     -1.3035866520     -1.2983299161     -3.0472787722
 C     -0.1969508790     -2.0702320533     -3.0414762815
 C      0.9053650546     -2.4912108784     -2.7009078264
 C      1.9947309440     -2.5743056168     -1.9194732878
 C      2.7666673585     -2.3890059633     -1.0014750526
 C      3.1649686498     -1.8877465838      0.1473363725
 C      3.2644051040     -1.2293701312      1.1944993097
 C      2.9523725250     -0.5312528331      2.2767729012
 C      2.2810206074      0.2664180817      2.9066701661
18
# ORCA AIMD Position Step 898, t=898.00 fs, E_Pot=-685.23869643 Hartree, Unit is Angstrom
 C      1.2715504793      1.1735254394      3.1535421522
 C      0.3226038832      1.8889372936      2.8894006469
 C     -0.8708433720      2.2756091341      2.4407415399
 C     -1.9695239560      2.3094840492      1.8711565860
 C     -2.7926223338      2.1223143959      0.8230562296
 C     -3.3219650536      1.7717157168     -0.2076274789
 C     -3.4631550163      1.1516067861     -1.3895235127
 C     -3.0826123990      0.3401591111     -2.2331932079
 C     -2.2345092297     -0.5634299658     -2.7992239734
 C     -1.3046698325     -1.2930281927     -3.0447393166
 C     -0.1981012948     -2.0633643559     -3.0368672035
 C      0.9048926848     -2.4909357582     -2.6968804537
 C      1.9875598376     -2.5738540111     -1.9173553027
 C      2.7649769890     -2.3891447528     -1.0041359910
 C      3.1702877586     -1.8890941889      0.1442455613
 C      3.2655919403     -1.2295990011      1.1933390103
 C      2.9483584772     -0.5387866226      2.2816782497
 C      2.2866384448      0.2631496473      2.9040464753
18
# ORCA AIMD Position Step 899, t=899.00 fs, E_Pot=-685.23983405 Hartree, Unit is Angstrom
 C      1.2688620198      1.1633913880      3.1504258714
 C      0.3208232435      1.8810505184      2.8872922263
 C     -0.8758636903      2.2728777773      2.4357874721
 C     -1.9664042745      2.3071583640      1.8739693277
 C     -2.7982039506      2.1224914003      0.8279621979
 C     -3.3163928266      1.7716867802     -0.2002252299
 C     -3.4603120997      1.1532072601     -1.3975139619
 C     -3.0793637991      0.3471188138     -2.2420093339
 C     -2.2319643670     -0.5522488056     -2.7972500903
 C     -1.3053712486     -1.2885077693     -3.0425125369
 C     -0.1983390594     -2.0565762994     -3.0319778781
 C      0.9032423432     -2.4901715657     -2.6932318452
 C      1.9804260479     -2.5737281832     -1.9155421978
 C      2.7630326549     -2.3895453806     -1.0074333620
 C      3.1764172455     -1.8890065679      0.1437105748
 C      3.2669504039     -1.2316819754      1.1902410799
 C      2.9442719978     -0.5459069748      2.2867016520
 C      2.2909917590      0.2611760991      2.9020384600
18
# ORCA AIMD Position Step 900, t=900.00 fs, E_Pot=-685.24087113 Hartree, Unit is Angstrom
 C      1.2673390519      1.1525932073      3.1469007904
 C      0.3192264275      1.8727934604      2.8856913387
 C     -0.8820169083      2.2702701043      2.4306096680
 C     -1.9622644716      2.3049653148      1.8767454143
 C     -2.8037118343      2.1230404563      0.8338162999
 C     -3.3113530339      1.7714671287     -0.1938334355
 C     -3.4570166923      1.1541149698     -1.4057977926
 C     -3.0761202100      0.3544874610     -2.2503103590
 C     -2.2301396687     -0.5405143681     -2.7952785179
 C     -1.3058056164     -1.2846554616     -3.0405707841
 C     -0.1976157738     -2.0499369876     -3.0268085625
 C      0.9001603884     -2.4888759895     -2.6901217593
 C      1.9735516322     -2.5739394958     -1.9138924225
 C      2.7609217954     -2.3901417221     -1.0111911345
 C      3.1832446347     -1.8876492842      0.1454062401
 C      3.2684683189     -1.2354437015      1.1855194908
 C      2.9403703560     -0.5528950319      2.2915083291
 C      2.2939056831      0.2606333251      2.9008091990
18
# ORCA AIMD Position Step 901, t=901.00 fs, E_Pot=-685.24105865 Hartree, Unit is Angstrom
 C      1.2667171014      1.1413949577      3.1429777911
 C      0.3177859194      1.8641491446      2.8845589104
 C     -0.8883243039      2.2676766051      2.4257204946
 C     -1.9579250366      2.3029432084      1.8790491694
 C     -2.8089820468      2.1240289685      0.8408588778
 C     -3.3070406629      1.7707974380     -0.1890865517
 C     -3.4533364470      1.1547133386     -1.4138076621
 C     -3.0729908727      0.3623118825     -2.2580873620
 C     -2.2286185859     -0.5286622039     -2.7935455307
 C     -1.3061987138     -1.2812644816     -3.0388585550
 C     -0.1960372611     -2.0434492916     -3.0214080370
 C      0.8955891100     -2.4870687850     -2.6876403793
 C      1.9671252033     -2.5744941322     -1.9122815206
 C      2.7587653298     -2.3908362880     -1.0151416283
 C      3.1905995732     -1.8854071669      0.1486226254
 C      3.2701278350     -1.2404930891      1.1798310839
 C      2.9368267944     -0.5599404889      2.2958209579
 C      2.2954006589      0.2614527848      2.9003876788
18
# ORCA AIMD Position Step 902, t=902.00 fs, E_Pot=-685.24006755 Hartree, Unit is Angstrom
 C      1.2666442704      1.1301185736      3.1386804514
 C      0.3164643579      1.8550961216      2.8838482379
 C     -0.8937152018      2.2649717328      2.4216718705
 C     -1.9542611476      2.3011355686      1.8804373914
 C     -2.8139814798      2.1254485762      0.8490907882
 C     -3.3035310354      1.7695312969     -0.1863265583
 C     -3.4493690297      1.1554026972     -1.4209890231
 C     -3.0700566173      0.3705860954     -2.2654079451
 C     -2.2269423603     -0.5171519879     -2.7922908363
 C     -1.3068064953     -1.2780933211     -3.0373095784
 C     -0.1938810530     -2.0370392688     -3.0158689219
 C      0.8896851629     -2.4848444499     -2.6857821008
 C      1.9612677460     -2.5753909521     -1.9106286082
 C      2.7567108377     -2.3915093661     -1.0189665057
 C      3.1982822448     -1.8828306855      0.1523646093
 C      3.2719127953     -1.2462786813      1.1740884115
 C      2.9337084348     -0.5671108851      2.2994595568
 C      2.2956893938      0.2633612366      2.9006663894
18
# ORCA AIMD Position Step 903, t=903.00 fs, E_Pot=-685.23827074 Hartree, Unit is Angstrom
 C      1.2667357769      1.1190972243      3.1340472925
 C      0.3152115159      1.8456176717      2.8835096989
 C     -0.8972261937      2.2620338127      2.4189558936
 C     -1.9520229992      2.2995874808      1.8805610761
 C     -2.8188295175      2.1272038889      0.8582351208
 C     -3.3007715248      1.7676483644     -0.1855653849
 C     -3.4452252237      1.1565596688     -1.4268489528
 C     -3.0673621626      0.3792626006     -2.2723983035
 C     -2.2247012724     -0.5063859042     -2.7917225255
 C     -1.3078451271     -1.2749220207     -3.0358638180
 C     -0.1915802182     -2.0305546560     -3.0103227387
 C      0.8828107566     -2.4823618129     -2.6844458636
 C      1.9560236829     -2.5766261775     -1.9089045867
 C      2.7549099548     -2.3920419263     -1.0223469236
 C      3.2060948492     -1.8805493524      0.1555071998
 C      3.2738111911     -1.2521766769      1.1693221815
 C      2.9309795748     -0.5743487326      2.3023555981
 C      2.2951410148      0.2659175819      2.9014274241
18
# ORCA AIMD Position Step 904, t=904.00 fs, E_Pot=-685.23659300 Hartree, Unit is Angstrom
 C      1.2666306851      1.1086330295      3.1291332787
 C      0.3139617393      1.8357135178      2.8834952170
 C     -0.8982070430      2.2587636297      2.4179017127
 C     -1.9516495361      2.2983403373      1.8792654811
 C     -2.8237801663      2.1291239198      0.8677655479
 C     -3.2986068541      1.7652428344     -0.1865217871
 C     -3.4410095875      1.1584971279     -1.4309965420
 C     -3.0649169047      0.3882689218     -2.2792133518
 C     -2.2216094765     -0.4966433616     -2.7919914105
 C     -1.3094387845     -1.2715983130     -3.0344811186
 C     -0.1896776783     -2.0237845072     -3.0049281037
 C      0.8754861882     -2.4798271948     -2.6834530848
 C      1.9513719419     -2.5781934273     -1.9071257707
 C      2.7534962246     -2.3923329455     -1.0250105445
 C      3.2138682347     -1.8791557297      0.1569969132
 C      3.2758149307     -1.2576062372      1.1664977202
 C      2.9285290314     -0.5814986363      2.3045386241
 C      2.2942172116      0.2685814848      2.9023894475
18
# ORCA AIMD Position Step 905, t=905.00 fs, E_Pot=-685.23593094 Hartree, Unit is Angstrom
 C      1.2660451904      1.0989647926      3.1240105779
 C      0.3126309119      1.8254159171      2.8837618652
 C     -0.8964688453      2.2550982136      2.4186018834
 C     -1.9531394837      2.2974261306      1.8766539422
 C     -2.8291699394      2.1309911688      0.8769905057
 C     -3.2968291046      1.7624921816     -0.1887135127
 C     -3.4368037685      1.1614286073     -1.4331759160
 C     -3.0627022524      0.3975251461     -2.2859964638
 C     -2.2175565602     -0.4880430717     -2.7931751757
 C     -1.3115909231     -1.2680660452     -3.0331518795
 C     -0.1887468094     -2.0164986976     -2.9998514612
 C      0.8683086350     -2.4774682652     -2.6825811950
 C      1.9472512601     -2.5800838798     -1.9053368554
 C      2.7525659165     -2.3923103760     -1.0267689646
 C      3.2214816594     -1.8790761767      0.1560748384
 C      3.2779140424     -1.2621545339      1.1663065547
 C      2.9262100769     -0.5883506886      2.3061041366
 C      2.2933959912      0.2707977919      2.9032615319
18
# ORCA AIMD Position Step 906, t=906.00 fs, E_Pot=-685.23653657 Hartree, Unit is Angstrom
 C      1.2648217366      1.0902400733      3.1187692463
 C      0.3111153242      1.8148061157      2.8842709590
 C     -0.8923215541      2.2510244342      2.4208925827
 C     -1.9560403959      2.2968627830      1.8730852697
 C     -2.8353446151      2.1325797256      0.8851701528
 C     -3.2952288718      1.7596196617     -0.1915667815
 C     -3.4326556263      1.1654366678     -1.4332944008
 C     -3.0606833667      0.4069582682     -2.2928380740
 C     -2.2126350190     -0.4805305587     -2.7952714710
 C     -1.3141790757     -1.2643773393     -3.0319017879
 C     -0.1892837966     -2.0085077458     -2.9952429893
 C      0.8618467356     -2.4754944194     -2.6816090393
 C      1.9435931719     -2.5822799434     -1.9035885459
 C      2.7521619114     -2.3919410717     -1.0275405979
 C      3.2288650875     -1.8804613724      0.1524653746
 C      3.2800925375     -1.2656809359      1.1689840658
 C      2.9238850518     -0.5946868070      2.3071770546
 C      2.2930915986      0.2720836458      2.9037960519
18
# ORCA AIMD Position Step 907, t=907.00 fs, E_Pot=-685.23785727 Hartree, Unit is Angstrom
 C      1.2629627444      1.0824931970      3.1135122356
 C      0.3092939420      1.8040177788      2.8849884717
 C     -0.8864884837      2.2465823387      2.4243955848
 C     -1.9595680869      2.2966481470      1.8690957784
 C     -2.8425815856      2.1336954132      0.8916506393
 C     -3.2936387876      1.7568567673     -0.1945184080
 C     -3.4285724078      1.1704557107     -1.4314458562
 C     -3.0588198430      0.4165170357     -2.2997468059
 C     -2.2071355072     -0.4738828221     -2.7981987785
 C     -1.3169767272     -1.2606813069     -3.0307910528
 C     -0.1915850986     -1.9997235615     -2.9912057372
 C      0.8565206953     -2.4740503096     -2.6803631081
 C      1.9403464936     -2.5847548431     -1.9019167454
 C      2.7522640010     -2.3912352469     -1.0273634497
 C      3.2359985858     -1.8831449818      0.1464563439
 C      3.2823298947     -1.2683516626      1.1742353458
 C      2.9214592207     -0.6003273895      2.3078773553
 C      2.2935870379      0.2721013403      2.9038283719
18
# ORCA AIMD Position Step 908, t=908.00 fs, E_Pot=-685.23896872 Hartree, Unit is Angstrom
 C      1.2606354276      1.0756326724      3.1083416771
 C      0.3070394958      1.7932177279      2.8858865253
 C     -0.8799311133      2.2418552196      2.4286084622
 C     -1.9628171008      2.2967563090      1.8652643634
 C     -2.8510269531      2.1342094269      0.8959921993
 C     -3.2919585885      1.7544110774     -0.1970962182
 C     -3.4245187882      1.1762817715     -1.4279107775
 C     -3.0570725489      0.4261900800     -2.3066455568
 C     -2.2015017083     -0.4677362057     -2.8018139486
 C     -1.3197013972     -1.2571874857     -3.0299041125
 C     -0.1956524550     -1.9902015679     -2.9877670978
 C      0.8525043280     -2.4731750647     -2.6787508623
 C      1.9374857871     -2.5874727185     -1.9003302286
 C      2.7527906312     -2.3902443532     -1.0263881030
 C      3.2429073420     -1.8866960568      0.1388194028
 C      3.2846102251     -1.2705888338      1.1813147319
 C      2.9189017545     -0.6051737488      2.3082933585
 C      2.2949902534      0.2707073612      2.9033009570
18
# ORCA AIMD Position Step 909, t=909.00 fs, E_Pot=-685.23917780 Hartree, Unit is Angstrom
 C      1.2581376592      1.0694590380      3.1033453591
 C      0.3042377334      1.7825741661      2.8869481623
 C     -0.8736555387      2.2369517245      2.4330059773
 C     -1.9649770948      2.2971389133      1.8620756113
 C     -2.8606549218      2.1340793679      0.8980540261
 C     -3.2901639638      1.7524433364     -0.1989699613
 C     -3.4204255038      1.1826081225     -1.4231229989
 C     -3.0554076904      0.4360131201     -2.3133872156
 C     -2.1962492388     -0.4616458611     -2.8059426012
 C     -1.3220849509     -1.2541097050     -3.0293350564
 C     -0.2011694296     -1.9801493126     -2.9848693613
 C      0.8496947986     -2.4727886156     -2.6767694857
 C      1.9350097663     -2.5903919358     -1.8988091439
 C      2.7536135181     -2.3890515854     -1.0248499700
 C      3.2496500606     -1.8905411911      0.1306042617
 C      3.2869309335     -1.2729520172      1.1892276199
 C      2.9162539211     -0.6092326688      2.3084607038
 C      2.2972279339      0.2679593370      2.9022655088
18
# ORCA AIMD Position Step 910, t=910.00 fs, E_Pot=-685.23835802 Hartree, Unit is Angstrom
 C      1.2558294178      1.0637140550      3.0985886229
 C      0.3008127520      1.7722252197      2.8881716994
 C     -0.8685600876      2.2319869923      2.4371202734
 C     -1.9654837216      2.2977311171      1.8598285060
 C     -2.8712592400      2.1333538836      0.8980200009
 C     -3.2883023360      1.7510551349     -0.1999737478
 C     -3.4162046945      1.1890746280     -1.4176144395
 C     -3.0537994172      0.4460627909     -2.3197793676
 C     -2.1918700101     -0.4551684283     -2.8104151043
 C     -1.3239487137     -1.2516015725     -3.0291707579
 C     -0.2075527093     -1.9699021228     -2.9823844688
 C      0.8477615546     -2.4727114338     -2.6744900947
 C      1.9329327928     -2.5934690736     -1.8973120911
 C      2.7545806135     -2.3877582505     -1.0230274270
 C      3.2563014496     -1.8940964503      0.1229087455
 C      3.2893059284     -1.2760096604      1.1969522833
 C      2.9136249395     -0.6126177132      2.3083519919
 C      2.3000781490      0.2640829315      2.9008648947
18
# ORCA AIMD Position Step 911, t=911.00 fs, E_Pot=-685.23690314 Hartree, Unit is Angstrom
 C      1.2540499551      1.0581448807      3.0941113850
 C      0.2967511303      1.7622538904      2.8895736846
 C     -0.8653411027      2.2270665436      2.4405899360
 C     -1.9640835720      2.2984579487      1.8586063122
 C     -2.8824737452      2.1321648082      0.8963677315
 C     -3.2864814128      1.7502882441     -0.2001053163
 C     -3.4117685013      1.1953175257     -1.4119500941
 C     -3.0522302167      0.4564396963     -2.3256138395
 C     -2.1887438944     -0.4479470261     -2.8150983338
 C     -1.3252690426     -1.2496984592     -3.0294754377
 C     -0.2140544279     -1.9598772117     -2.9801432933
 C      0.8462462378     -2.4727065546     -2.6720266510
 C      1.9312744558     -2.5966600895     -1.8957869855
 C      2.7555408991     -2.3864679993     -1.0211969433
 C      3.2629342628     -1.8968671794      0.1166960134
 C      3.2917616595     -1.2802422289      1.2036086646
 C      2.9111776136     -0.6155298128      2.3078796015
 C      2.3032293638      0.2594100177      2.8993008932
18
# ORCA AIMD Position Step 912, t=912.00 fs, E_Pot=-685.23546914 Hartree, Unit is Angstrom
 C      1.2530373842      1.0525663539      3.0899307628
 C      0.2921219745      1.7526725466      2.8911895990
 C     -0.8644468785      2.2222739087      2.4431839450
 C     -1.9608298968      2.2992453166      1.8582944299
 C     -2.8938187579      2.1307086627      0.8937973405
 C     -3.2848537165      1.7501317463     -0.1995027537
 C     -3.4070452847      1.2010073328     -1.4066750138
 C     -3.0506869986      0.4672445371     -2.3306977620
 C     -2.1870777085     -0.4397748116     -2.8199128091
 C     -1.3262194543     -1.2482750340     -3.0302814429
 C     -0.2198705987     -1.9505230113     -2.9779661941
 C      0.8446734979     -2.4725280681     -2.6695014443
 C      1.9300489878     -2.5999203923     -1.8941806496
 C      2.7563628667     -2.3852750207     -1.0196008690
 C      3.2696039011     -1.8985041055      0.1126815877
 C      3.2943294511     -1.2859850587      1.2085616454
 C      2.9091031022     -0.6182220980      2.3069103002
 C      2.3063529554      0.2543026864      2.8977921090
18
# ORCA AIMD Position Step 913, t=913.00 fs, E_Pot=-685.23465975 Hartree, Unit is Angstrom
 C      1.2528871124      1.0468976130      3.0860453219
 C      0.2870735272      1.7434266683      2.8930678414
 C     -0.8660512580      2.2176611324      2.4448138500
 C     -1.9560540658      2.3000258235      1.8586151392
 C     -2.9047537077      2.1292236399      0.8911357345
 C     -3.2835955310      1.7505311466     -0.1984120491
 C     -3.4019948005      1.2058882563     -1.4022534770
 C     -3.0491580682      0.4785532409     -2.3348801409
 C     -2.1868837727     -0.4306269460     -2.8248426584
 C     -1.3271423966     -1.2470582251     -3.0315850664
 C     -0.2242695359     -1.9422574544     -2.9756960965
 C      0.8426411113     -2.4719645465     -2.6670162329
 C      1.9292634787     -2.6032031297     -1.8924484483
 C      2.7569562047     -2.3842473636     -1.0184036597
 C      3.2763301592     -1.8988334634      0.1112620641
 C      3.2970375622     -1.2934068936      1.2114600660
 C      2.9075943581     -0.6209515281      2.3052955962
 C      2.3091599288      0.2490859607      2.8965358693
18
# ORCA AIMD Position Step 914, t=914.00 fs, E_Pot=-685.23478265 Hartree, Unit is Angstrom
 C      1.2535299324      1.0411794104      3.0824443237
 C      0.2818143967      1.7344141615      2.8952571807
 C     -0.8700398420      2.2132425547      2.4455379368
 C     -1.9503142748      2.3007500929      1.8591779196
 C     -2.9147421237      2.1279551312      0.8892185068
 C     -3.2828821977      1.7514071956     -0.1971299832
 C     -3.3966196456      1.2098002633     -1.3990283054
 C     -3.0476296921      0.4903906665     -2.3380772799
 C     -2.1879949514     -0.4206576230     -2.8299239804
 C     -1.3284866067     -1.2456692948     -3.0333517057
 C     -0.2266906268     -1.9354136320     -2.9732191201
 C      0.8398876538     -2.4708703470     -2.6646334803
 C      1.9289148922     -2.6064594809     -1.8905575190
 C      2.7572769520     -2.3834226709     -1.0176816345
 C      3.2830885696     -1.8978636532      0.1124883679
 C      3.2999038911     -1.3024986900      1.2122499303
 C      2.9068126952     -0.6239293810      2.3029075518
 C      2.3114563338      0.2439855190      2.8956702719
18
# ORCA AIMD Position Step 915, t=915.00 fs, E_Pot=-685.23567633 Hartree, Unit is Angstrom
 C      1.2547513678      1.0355599186      3.0791150426
 C      0.2765774327      1.7255144066      2.8977938017
 C     -0.8760095887      2.2089875918      2.4455600839
 C     -1.9443399619      2.3013940187      1.8595246528
 C     -2.9233179413      2.1271204797      0.8887640017
 C     -3.2828589317      1.7526816178     -0.1959303724
 C     -3.3909725705      1.2126970971     -1.3971826628
 C     -3.0460778878      0.5027063642     -2.3403004336
 C     -2.1901135446     -0.4101599251     -2.8352268060
 C     -1.3307023440     -1.2437015654     -3.0355233435
 C     -0.2268396643     -1.9301871565     -2.9704815556
 C      0.8363352249     -2.4691869881     -2.6623628478
 C      1.9289855660     -2.6096387051     -1.8884932511
 C      2.7573312643     -2.3828048627     -1.0174190033
 C      3.2898074207     -1.8957892921      0.1160509806
 C      3.3029333760     -1.3130685759      1.2111799693
 C      2.9068582874     -0.6272787993      2.2996749140
 C      2.3131741453      0.2390899125      2.8952467584
18
# ORCA AIMD Position Step 916, t=916.00 fs, E_Pot=-685.23686426 Hartree, Unit is Angstrom
 C      1.2562764177      1.0302331858      3.0760448348
 C      0.2715524023      1.7166219877      2.9006843830
 C     -0.8832858588      2.2048175309      2.4452212535
 C     -1.9389874544      2.3019541854      1.8591500038
 C     -2.9301212630      2.1268844042      0.8902896795
 C     -3.2836170290      1.7543026428     -0.1949851549
 C     -3.3851686252      1.2146759406     -1.3967011019
 C     -3.0444271420      0.5153191354     -2.3417176093
 C     -2.1929011572     -0.3994743557     -2.8408211364
 C     -1.3341069086     -1.2408212798     -3.0380257367
 C     -0.2247937343     -1.9265679407     -2.9675062816
 C      0.8321458857     -2.4669618316     -2.6601238889
 C      1.9294045331     -2.6126950174     -1.8863001891
 C      2.7571784492     -2.3823605902     -1.0174997112
 C      3.2963832908     -1.8930008637      0.1212546930
 C      3.3061139884     -1.3247313419      1.2088397010
 C      2.9077639121     -0.6310237724      2.2955855310
 C      2.3143428867      0.2343608575      2.8952293029
18
# ORCA AIMD Position Step 917, t=917.00 fs, E_Pot=-685.23760386 Hartree, Unit is Angstrom
 C      1.2577450045      1.0254391795      3.0732323329
 C      0.2668979745      1.7076532950      2.9039189605
 C     -0.8911026636      2.2006261633      2.4449120335
 C     -1.9350289871      2.3024656051      1.8576503871
 C     -2.9350108805      2.1272925716      0.8939290604
 C     -3.2851660674      1.7562647844     -0.1943124853
 C     -3.3793398576      1.2159310480     -1.3973851690
 C     -3.0426346705      0.5280543237     -2.3425464006
 C     -2.1959902989     -0.3889767153     -2.8468004677
 C     -1.3388624309     -1.2368032527     -3.0407888606
 C     -0.2209284669     -1.9243821473     -2.9643774637
 C      0.8276050387     -2.4643245896     -2.6578287514
 C      1.9301454405     -2.6155873303     -1.8839799969
 C      2.7569068110     -2.3820411398     -1.0177741018
 C      3.3026875915     -1.8899990553      0.1271686247
 C      3.3094388404     -1.3370061005      1.2059961835
 C      2.9094616059     -0.6350617079      2.2907447766
 C      2.3151574155      0.2295912153      2.8954785933
18
# ORCA AIMD Position Step 918, t=918.00 fs, E_Pot=-685.23755424 Hartree, Unit is Angstrom
 C      1.2588818524      1.0213507662      3.0706792296
 C      0.2626628801      1.6985764902      2.9074556110
 C     -0.8986778288      2.1962910627      2.4450357384
 C     -1.9331217451      2.3029728897      1.8547054402
 C     -2.9380061990      2.1283021139      0.8995133406
 C     -3.2874436294      1.7586130258     -0.1937499986
 C     -3.3736618927      1.2167826388     -1.3988452512
 C     -3.0405896492      0.5406253637     -2.3431616140
 C     -2.1991033204     -0.3789461827     -2.8532322514
 C     -1.3448927418     -1.2315940689     -3.0437510013
 C     -0.2159648675     -1.9232569052     -2.9612450832
 C      0.8232012955     -2.4614959204     -2.6553048333
 C      1.9311276424     -2.6182867562     -1.8815893418
 C      2.7566344976     -2.3817792298     -1.0180471714
 C      3.3085992833     -1.8873865896      0.1326486885
 C      3.3128978303     -1.3493202039      1.2036186737
 C      2.9118307058     -0.6392255262      2.2853071932
 C      2.3158368173      0.2245249316      2.8958097730
18
# ORCA AIMD Position Step 919, t=919.00 fs, E_Pot=-685.23698166 Hartree, Unit is Angstrom
 C      1.2595266231      1.0180519737      3.0683919574
 C      0.2587944195      1.6894122638      2.9112321422
 C     -0.9053970546      2.1916961695      2.4459092678
 C     -1.9336409267      2.3035208142      1.8501809679
 C     -2.9392907887      2.1297901146      0.9065884509
 C     -3.2903293767      1.7614362517     -0.1929963118
 C     -3.3683248541      1.2176219995     -1.4005599816
 C     -3.0381550698      0.5527062671     -2.3440198651
 C     -2.2020737323     -0.3695458806     -2.8601565880
 C     -1.3519135052     -1.2253059464     -3.0468676485
 C     -0.2108304880     -1.9226964369     -2.9583025658
 C      0.8195190401     -2.4587468825     -2.6523450786
 C      1.9322544489     -2.6207760940     -1.8792037639
 C      2.7564886408     -2.3815079451     -1.0181234736
 C      3.3140185522     -1.8857521072      0.1365549034
 C      3.3164884214     -1.3611281603      1.2026711897
 C      2.9147187843     -0.6433123707      2.2794687062
 C      2.3165891749      0.2189048440      2.8960258471
18
# ORCA AIMD Position Step 920, t=920.00 fs, E_Pot=-685.23661616 Hartree, Unit is Angstrom
 C      1.2596664019      1.0155181842      3.0663799638
 C      0.2551517641      1.6802325943      2.9151732123
 C     -0.9109375481      2.1867569939      2.4476923741
 C     -1.9365802444      2.3041417719      1.8441887603
 C     -2.9391815667      2.1315836440      0.9145024038
 C     -3.2936725486      1.7648378438     -0.1916868242
 C     -3.3635108633      1.2188534097     -1.4019584549
 C     -3.0351902580      0.5639794268     -2.3455875473
 C     -2.2048564972     -0.3608129322     -2.8675843704
 C     -1.3594816992     -1.2181907917     -3.0501145522
 C     -0.2064980769     -1.9221730579     -2.9557534523
 C      0.8171305188     -2.4563484490     -2.6487453587
 C      1.9334249727     -2.6230486200     -1.8769072874
 C      2.7565870805     -2.3811725746     -1.0178394519
 C      3.3188777259     -1.8855591469      0.1379750000
 C      3.3202209912     -1.3720190416      1.2039035928
 C      2.9179692975     -0.6471192784      2.2734441270
 C      2.3175565229      0.2125387217      2.8959569464
18
# ORCA AIMD Position Step 921, t=921.00 fs, E_Pot=-685.23703379 Hartree, Unit is Angstrom
 C      1.2594350593      1.0136181388      3.0646530321
 C      0.2515367298      1.6711536450      2.9191976164
 C     -0.9153133290      2.1814411355      2.4503544906
 C     -1.9415232606      2.3048465156      1.8371092122
 C     -2.9380912501      2.1334900401      0.9225054165
 C     -3.2973215601      1.7689085881     -0.1894789270
 C     -3.3593666621      1.2208212795     -1.4025267707
 C     -3.0315885530      0.5741960696     -2.3482449368
 C     -2.2075099810     -0.3526784119     -2.8754977011
 C     -1.3670637474     -1.2106002113     -3.0534886679
 C     -0.2038034380     -1.9212274204     -2.9537678644
 C      0.8164617963     -2.4545068327     -2.6443540041
 C      1.9345569243     -2.6251008884     -1.8747713346
 C      2.7570167645     -2.3807472749     -1.0170963696
 C      3.3231457167     -1.8870435770      0.1364428066
 C      3.3241217086     -1.3818108549      1.2076420966
 C      2.9214403321     -0.6504674884      2.2674531578
 C      2.3187799427      0.2053450784      2.8954878206
18
# ORCA AIMD Position Step 922, t=922.00 fs, E_Pot=-685.23812627 Hartree, Unit is Angstrom
 C      1.2590847737      1.0121400736      3.0632176232
 C      0.2477291311      1.6623159596      2.9232225131
 C     -0.9188185883      2.1757662950      2.4536988452
 C     -1.9477156319      2.3056245586      1.8295533013
 C     -2.9364873290      2.1353339775      0.9298511971
 C     -3.3011477535      1.7736948376     -0.1861377839
 C     -3.3559755459      1.2237460738     -1.4019058860
 C     -3.0273171275      0.5832359176     -2.3521895053
 C     -2.2101596133     -0.3450063159     -2.8838545998
 C     -1.3740975470     -1.2029416051     -3.0569998176
 C     -0.2032875929     -1.9195540177     -2.9524438147
 C      0.8176633194     -2.4533031544     -2.6391196616
 C      1.9356014287     -2.6269300530     -1.8728441626
 C      2.7578202772     -2.3802379182     -1.0158732853
 C      3.3268298155     -1.8901643667      0.1320617824
 C      3.3282293253     -1.3905920138      1.2136730025
 C      2.9250231859     -0.6532226214      2.2617023105
 C      2.3201814269      0.1973814227      2.8945765203
18
# ORCA AIMD Position Step 923, t=923.00 fs, E_Pot=-685.23917210 Hartree, Unit is Angstrom
 C      1.2589177598      1.0108303134      3.0620740053
 C      0.2435203627      1.6538644901      2.9271706704
 C     -0.9219176419      2.1697915454      2.4574214284
 C     -1.9541967648      2.3064523138      1.8222745667
 C     -2.9348452349      2.1369745043      0.9358928941
 C     -3.3050649621      1.7791803025     -0.1815955569
 C     -3.3533377375      1.2276836891     -1.3999636025
 C     -3.0224497997      0.5911651101     -2.3573648860
 C     -2.2129471283     -0.3376451189     -2.8926068363
 C     -1.3800607542     -1.1956216086     -3.0606698100
 C     -0.2050904839     -1.9170552637     -2.9517725864
 C      0.8205280250     -2.4526530605     -2.6331228278
 C      1.9365486020     -2.6285360925     -1.8711416995
 C      2.7589901629     -2.3796878278     -1.0142405385
 C      3.3299793434     -1.8946203642      0.1254913914
 C      3.3325953706     -1.3986903121      1.2212839787
 C      2.9286543241     -0.6553168704      2.2563571695
 C      2.3215845510      0.1888345563      2.8932614998
18
# ORCA AIMD Position Step 924, t=924.00 fs, E_Pot=-685.23942472 Hartree, Unit is Angstrom
 C      1.2592246169      1.0094385308      3.0612111086
 C      0.2387692470      1.6459016671      2.9309824613
 C     -0.9251119213      2.1635913454      2.4611947903
 C     -1.9599974063      2.3073012152      1.8160358930
 C     -2.9335810953      2.1383374610      0.9401805944
 C     -3.3090496573      1.7852800117     -0.1759898492
 C     -3.3513637114      1.2325266808     -1.3968076631
 C     -3.0171615040      0.5982321187     -2.3634607342
 C     -2.2159830961     -0.3304695651     -2.9017123091
 C     -1.3845382475     -1.1889828336     -3.0645194205
 C     -0.2089660573     -1.9138304420     -2.9516430265
 C      0.8245165045     -2.4523183968     -2.6265677354
 C      1.9374323834     -2.6299182158     -1.8696444279
 C      2.7604763843     -2.3791705253     -1.0123359378
 C      3.3326796852     -1.8999526750      0.1177519336
 C      3.3372740635     -1.4065787156      1.2294527721
 C      2.9323230960     -0.6567554867      2.2515244057
 C      2.3227283631      0.1799976977      2.8916501484
18
# ORCA AIMD Position Step 925, t=925.00 fs, E_Pot=-685.23868086 Hartree, Unit is Angstrom
 C      1.2601977447      1.0077693905      3.0606025031
 C      0.2334322671      1.6384636192      2.9346214336
 C     -0.9288237182      2.1572356941      2.4647386224
 C     -1.9643061362      2.3081462448      1.8114847157
 C     -2.9329921672      2.1394178707      0.9425247873
 C     -3.3131430894      1.7918518934     -0.1696443979
 C     -3.3498957225      1.2380406394     -1.3927474266
 C     -3.0117030720      0.6048318507     -2.3699708056
 C     -2.2193024509     -0.3234249576     -2.9111600216
 C     -1.3872786257     -1.1832471330     -3.0685660011
 C     -0.2143678114     -1.9101325898     -2.9518594176
 C      0.8288669736     -2.4519572380     -2.6197398577
 C      1.9383074934     -2.6310743281     -1.8683116009
 C      2.7621951714     -2.3787869723     -1.0103548191
 C      3.3350502185     -1.9056541201      0.1099935717
 C      3.3423161528     -1.4147546115      1.2371036850
 C      2.9360694704     -0.6576128299      2.2472373104
 C      2.3233252327      0.1712134062      2.8898981784
18
# ORCA AIMD Position Step 926, t=926.00 fs, E_Pot=-685.23734501 Hartree, Unit is Angstrom
 C      1.2618913519      1.0057176460      3.0602107274
 C      0.2275846068      1.6315065764      2.9380784940
 C     -0.9333154596      2.1507700878      2.4678737121
 C     -1.9666026746      2.3089639007      1.8090561507
 C     -2.9332019979      2.1402925226      0.9430231208
 C     -3.3174481399      1.7987068167     -0.1630458934
 C     -3.3487423566      1.2439314266     -1.3882055817
 C     -3.0063561060      0.6114223656     -2.3762930500
 C     -2.2228475542     -0.3165462169     -2.9209639512
 C     -1.3882087865     -1.1784874353     -3.0728149583
 C     -0.2206020309     -1.9062890018     -2.9521906613
 C      0.8327472406     -2.4511953749     -2.6129524881
 C      1.9392327638     -2.6320018310     -1.8670987321
 C      2.7640515708     -2.3786464142     -1.0085062426
 C      3.3372256828     -1.9112696878      0.1032771971
 C      3.3477533070     -1.4236321210      1.2433202136
 C      2.9399763964     -0.6580234575      2.2434507066
 C      2.3230987965      0.1628162778      2.8881723990
18
# ORCA AIMD Position Step 927, t=927.00 fs, E_Pot=-685.23611778 Hartree, Unit is Angstrom
 C      1.2641912408      1.0032869088      3.0599922101
 C      0.2214244614      1.6249118768      2.9413695795
 C     -0.9386555937      2.1442115104      2.4705431186
 C     -1.9667173765      2.3097350209      1.8089243955
 C     -2.9341470439      2.1411043435      0.9420397458
 C     -3.3221132997      1.8056274962     -0.1567882851
 C     -3.3477120986      1.2499024735     -1.3836357649
 C     -3.0013915894      0.6184511416     -2.3818230856
 C     -2.2264645070     -0.3099620053     -2.9311598398
 C     -1.3874333950     -1.1746232314     -3.0772608145
 C     -0.2269517813     -1.9026409424     -2.9524080161
 C      0.8353821055     -2.4496861599     -2.6064992925
 C      1.9402540507     -2.6326967493     -1.8659684479
 C      2.7659582105     -2.3788516061     -1.0069853651
 C      3.3393374293     -1.9164554661      0.0984365407
 C      3.3535934996     -1.4334767847      1.2474701981
 C      2.9441455777     -0.6581542891      2.2400619741
 C      2.3218363135      0.1550736914      2.8866152392
18
# ORCA AIMD Position Step 928, t=928.00 fs, E_Pot=-685.23555707 Hartree, Unit is Angstrom
 C      1.2668260585      1.0005840199      3.0599030513
 C      0.2152504495      1.6185050567      2.9445276203
 C     -0.9447054797      2.1375427472      2.4728203871
 C     -1.9648371378      2.3104464758      1.8109915792
 C     -2.9355976031      2.1420440926      0.9401416264
 C     -3.3273040150      1.8123974136     -0.1514941389
 C     -3.3466409608      1.2556900812     -1.3794632877
 C     -2.9970298185      0.6262794699     -2.3860423196
 C     -2.2299295204     -0.3038670279     -2.9417846624
 C     -1.3852155703     -1.1714392209     -3.0818831860
 C     -0.2327709208     -1.8994939978     -2.9523150596
 C      0.8361566399     -2.4471594461     -2.6006172309
 C      1.9413870263     -2.6331501907     -1.8649020629
 C      2.7678473871     -2.3794882735     -1.0059492100
 C      3.3414965950     -1.9210083169      0.0959976852
 C      3.3598123948     -1.4443719549      1.2492629596
 C      2.9486682051     -0.6581702778      2.2369450589
 C      2.3194308562      0.1481453180      2.8853096258
18
# ORCA AIMD Position Step 929, t=929.00 fs, E_Pot=-685.23589446 Hartree, Unit is Angstrom
 C      1.2694023016      0.9977989279      3.0599047975
 C      0.2094192855      1.6120899340      2.9475939690
 C     -0.9511297656      2.1307189006      2.4749003282
 C     -1.9614553693      2.3110996475      1.8149251864
 C     -2.9372234176      2.1433098862      0.9379742749
 C     -3.3331659270      1.8188256999     -0.1477149895
 C     -3.3454114076      1.2610893442     -1.3760429863
 C     -2.9934117397      0.6351303104     -2.3885749823
 C     -2.2329857992     -0.2984819679     -2.9528549604
 C     -1.3819423512     -1.1686190612     -3.0866506535
 C     -0.2375394022     -1.8970947501     -2.9517659634
 C      0.8346737344     -2.4434457369     -2.5954672960
 C      1.9426163183     -2.6333459011     -1.8638982882
 C      2.7696762223     -2.3806154822     -1.0054994648
 C      3.3437770397     -1.9248730814      0.0961460967
 C      3.3663543254     -1.4562145248      1.2487481339
 C      2.9535914027     -0.6581984324      2.2339891706
 C      2.3159153612      0.1420469319      2.8842523171
18
# ORCA AIMD Position Step 930, t=930.00 fs, E_Pot=-685.23699166 Hartree, Unit is Angstrom
 C      1.2714929875      0.9951496393      3.0599719943
 C      0.2042844927      1.6054852004      2.9506069157
 C     -0.9574273641      2.1236728962      2.4770832412
 C     -1.9573050683      2.3117117052      1.8202007911
 C     -2.9386640021      2.1450755609      0.9361378104
 C     -3.3397889715      1.8247817440     -0.1458178094
 C     -3.3439642780      1.2659689275     -1.3736350648
 C     -2.9905613173      0.6450287122     -2.3892510652
 C     -2.2354033065     -0.2939871781     -2.9643312500
 C     -1.3780633098     -1.1657998300     -3.0915249656
 C     -0.2409194969     -1.8955995429     -2.9506855105
 C      0.8307995606     -2.4384913653     -2.5911071753
 C      1.9438777188     -2.6332657857     -1.8629906192
 C      2.7714333312     -2.3822540917     -1.0056720086
 C      3.3462105449     -1.9281504191      0.0987051173
 C      3.3731342523     -1.4687154463      1.2463181148
 C      2.9588959171     -0.6583090134      2.2311232406
 C      2.3114539068      0.1366603710      2.8833431966
18
# ORCA AIMD Position Step 931, t=931.00 fs, E_Pot=-685.23840536 Hartree, Unit is Angstrom
 C      1.2726753169      0.9928620864      3.0600932076
 C      0.2001487220      1.5985478177      2.9535997436
 C     -0.9630220062      2.1163247115      2.4797190279
 C     -1.9532016504      2.3123242103      1.8262256061
 C     -2.9396405425      2.1474402441      0.9350207401
 C     -3.3471749580      1.8302232045     -0.1459050038
 C     -3.3422933506      1.2702697404     -1.3723859912
 C     -2.9884075538      0.6558367999     -2.3880964115
 C     -2.2370103256     -0.2904863519     -2.9761260535
 C     -1.3740319761     -1.1626299405     -3.0964727202
 C     -0.2427536587     -1.8950760095     -2.9490609111
 C      0.8246462720     -2.4323548647     -2.5875043813
 C      1.9450673328     -2.6328856239     -1.8622337077
 C      2.7731392346     -2.3843885446     -1.0064305355
 C      3.3487827453     -1.9310662499      0.1031798078
 C      3.3800568074     -1.4814610556      1.2426193916
 C      2.9645010871     -0.6585106791      2.2283364227
 C      2.3063387932      0.1317431948      2.8824045533
18
# ORCA AIMD Position Step 932, t=932.00 fs, E_Pot=-685.23955520 Hartree, Unit is Angstrom
 C      1.2726398618      0.9910985213      3.0602709443
 C      0.1971953718      1.5912051493      2.9565923687
 C     -0.9673564513      2.1085929483      2.4831503440
 C     -1.9499163337      2.3129886073      1.8324277234
 C     -2.9400057788      2.1504167068      0.9347250707
 C     -3.3552216634      1.8352072582     -0.1477671900
 C     -3.3404551696      1.2740289887     -1.3722931249
 C     -2.9867634085      0.6672320804     -2.3853718688
 C     -2.2377264085     -0.2879727753     -2.9880964546
 C     -1.3702433350     -1.1588128228     -3.1014643835
 C     -0.2431397430     -1.8954622971     -2.9469640122
 C      0.8166042147     -2.4252172785     -2.5845190528
 C      1.9460562768     -2.6321764965     -1.8616938134
 C      2.7748289438     -2.3869772156     -1.0076927959
 C      3.3514405562     -1.9339619714      0.1087857681
 C      3.3870307820     -1.4939398818      1.2385288610
 C      2.9702690045     -0.6587584329      2.2256670294
 C      2.3009296497      0.1269844403      2.8812066809
18
# ORCA AIMD Position Step 933, t=933.00 fs, E_Pot=-685.23994005 Hartree, Unit is Angstrom
 C      1.2712631213      0.9899094396      3.0605203434
 C      0.1954612459      1.5834626658      2.9595920620
 C     -0.9700230604      2.1004210331      2.4876355132
 C     -1.9480400713      2.3137484596      1.8383554870
 C     -2.9397550311      2.1539366066      0.9350735542
 C     -3.3637394970      1.8398778889     -0.1509254096
 C     -3.3385584700      1.2773741750     -1.3732076043
 C     -2.9853472701      0.6787458885     -2.3815467764
 C     -2.2375828524     -0.2863107790     -3.0000550856
 C     -1.3669682662     -1.1541587181     -3.1064796086
 C     -0.2424502426     -1.8965552255     -2.9445531006
 C      0.8073181716     -2.4173704759     -2.5819081938
 C      1.9466916212     -2.6311103645     -1.8614520094
 C      2.7765515567     -2.3899573181     -1.0093402841
 C      3.3541055687     -1.9372449104      0.1145669950
 C      3.3939813985     -1.5056111417      1.2350343815
 C      2.9760367357     -0.6589829714      2.2231838867
 C      2.2955798195      0.1220780986      2.8795123392
18
# ORCA AIMD Position Step 934, t=934.00 fs, E_Pot=-685.23939519 Hartree, Unit is Angstrom
 C      1.2686490285      0.9892039086      3.0608646458
 C      0.1948208686      1.5754097149      2.9625940354
 C     -0.9708760173      2.0918004393      2.4932752580
 C     -1.9478655716      2.3146142282      1.8437644609
 C     -2.9390063219      2.1578747979      0.9356774425
 C     -3.3724827211      1.8444314683     -0.1547369509
 C     -3.3367533947      1.2805142974     -1.3748422875
 C     -2.9838165322      0.6898185730     -2.3772460977
 C     -2.2367179010     -0.2852471215     -3.0117908204
 C     -1.3643222505     -1.1486089827     -3.1115063333
 C     -0.2413169500     -1.8980177087     -2.9420671221
 C      0.7976334162     -2.4091968097     -2.5793506218
 C      1.9468234012     -2.6296607529     -1.8615852908
 C      2.7783589819     -2.3932582631     -1.0112393866
 C      3.3566872055     -1.9413202463      0.1195602853
 C      3.4008579094     -1.5159824760      1.2330760988
 C      2.9816470013     -0.6591175220      2.2209626034
 C      2.2905735816      0.1167859381      2.8771184322
18
# ORCA AIMD Position Step 935, t=935.00 fs, E_Pot=-685.23818490 Hartree, Unit is Angstrom
 C      1.2651118585      0.9887648833      3.0613313915
 C      0.1950076030      1.5672044889      2.9655873663
 C     -0.9700708650      2.0827841242      2.4999857684
 C     -1.9493563683      2.3155506622      1.8486431093
 C     -2.9379579163      2.1620786439      0.9360365639
 C     -3.3811870465      1.8490861839     -0.1585068062
 C     -3.3352132736      1.2837054198     -1.3768177382
 C     -2.9818156065      0.6998712875     -2.3731743189
 C     -2.2353534468     -0.2844439103     -3.0230905730
 C     -1.3622744470     -1.1422301780     -3.1165427201
 C     -0.2405361492     -1.8994259866     -2.9397952585
 C      0.7885092534     -2.4011296519     -2.5764785363
 C      1.9463161374     -2.6277964830     -1.8621563458
 C      2.7802740146     -2.3968262732     -1.0132902024
 C      3.3591158473     -1.9465060096      0.1230016573
 C      3.4076294800     -1.5246854303      1.2333801572
 C      2.9869736518     -0.6591198545      2.2190598372
 C      2.2860992015      0.1109657748      2.8738855800
18
# ORCA AIMD Position Step 936, t=936.00 fs, E_Pot=-685.23693924 Hartree, Unit is Angstrom
 C      1.2611639173      0.9882504725      3.0619485699
 C      0.1956413840      1.5590613258      2.9685576593
 C     -0.9680553271      2.0734968705      2.5075047265
 C     -1.9521801007      2.3164672189      1.8531863920
 C     -2.9368236721      2.1664019215      0.9356695085
 C     -3.3896120814      1.8540353336     -0.1616187728
 C     -3.3341060453      1.2872099578     -1.3787347820
 C     -2.9790145472      0.7083714757     -2.3700087942
 C     -2.2337743132     -0.2835058473     -3.0337528848
 C     -1.3606708735     -1.1351979040     -3.1215973166
 C     -0.2409405025     -1.9003357802     -2.9380381122
 C      0.7808705113     -2.3935889750     -2.5729369512
 C      1.9450792759     -2.6254903889     -1.8631947271
 C      2.7822928101     -2.4006244679     -1.0154304551
 C      3.3613504641     -1.9529681520      0.1245015755
 C      3.4142798674     -1.5315399818      1.2362822931
 C      2.9919365308     -0.6589845868      2.2175064240
 C      2.2822186723      0.1046032148      2.8697541741
18
# ORCA AIMD Position Step 937, t=937.00 fs, E_Pot=-685.23630392 Hartree, Unit is Angstrom
 C      1.2574379266      0.9872452705      3.0627388630
 C      0.1962882816      1.5512209275      2.9714936689
 C     -0.9654771565      2.0641189850      2.5154459418
 C     -1.9558202772      2.3172286296      1.8577149110
 C     -2.9357789867      2.1707343578      0.9342108826
 C     -3.3975661402      1.8594215650     -0.1636173978
 C     -3.3335625737      1.2912366280     -1.3802680280
 C     -2.9751589912      0.7149065216     -2.3682891884
 C     -2.2322922335     -0.2820252270     -3.0435995618
 C     -1.3592856686     -1.1277560598     -3.1266837188
 C     -0.2432108389     -1.9003782198     -2.9370456651
 C      0.7754349525     -2.3869047886     -2.5684551634
 C      1.9430861692     -2.6227193991     -1.8646849234
 C      2.7843766910     -2.4046388286     -1.0176451125
 C      3.3633903104     -1.9606811681      0.1241377659
 C      3.4207950396     -1.5365843289      1.2416440107
 C      2.9965095822     -0.6587483589      2.2162998860
 C      2.2788775175      0.0978058346      2.8647501523
18
# ORCA AIMD Position Step 938, t=938.00 fs, E_Pot=-685.23658910 Hartree, Unit is Angstrom
 C      1.2545823906      0.9853263153      3.0637162592
 C      0.1965373761      1.5439135085      2.9743919093
 C     -0.9630661868      2.0548673749      2.5233704938
 C     -1.9597096785      2.3176774465      1.8625749220
 C     -2.9349186195      2.1750112596      0.9314818608
 C     -3.4049185747      1.8653151612     -0.1642592084
 C     -3.3336446423      1.2958876895     -1.3812561226
 C     -2.9701137422      0.7192441233     -2.3683116548
 C     -2.2312035579     -0.2796297754     -3.0524833591
 C     -1.3578840970     -1.1201700232     -3.1318188184
 C     -0.2476884958     -1.8993523551     -2.9369542496
 C      0.7725407312     -2.3812429370     -2.5629173125
 C      1.9403867925     -2.6194710232     -1.8665595731
 C      2.7864573510     -2.4088707329     -1.0199582364
 C      3.3652729529     -1.9694367471      0.1224231814
 C      3.4271545404     -1.5400544570      1.2488834933
 C      3.0007186706     -0.6584891060      2.2154029572
 C      2.2759306295      0.0907818029      2.8589793921
18
# ORCA AIMD Position Step 939, t=939.00 fs, E_Pot=-685.23754036 Hartree, Unit is Angstrom
 C      1.2531343716      0.9821421567      3.0648796306
 C      0.1960894026      1.5373111209      2.9772620178
 C     -0.9615153941      2.0459645654      2.5308583002
 C     -1.9633527545      2.3176579168      1.8680465297
 C     -2.9342290286      2.1792230608      0.9275309455
 C     -3.4116064384      1.8717067197     -0.1635349311
 C     -3.3343252438      1.3011237760     -1.3817544458
 C     -2.9638918378      0.7213737214     -2.3700680723
 C     -2.2307423864     -0.2760362862     -3.0602957399
 C     -1.3562822362     -1.1126709221     -3.1370168669
 C     -0.2542634396     -1.8972788470     -2.9377444451
 C      0.7720461702     -2.3765633971     -2.5564089305
 C      1.9371124352     -2.6157503746     -1.8686994792
 C      2.7884507169     -2.4133301479     -1.0224118292
 C      3.3670614683     -1.9788957169      0.1201578825
 C      3.4333279877     -1.5423270319      1.2571139913
 C      3.0046352085     -0.6583183196      2.2147485459
 C      2.2731782557      0.0838051325      2.8526133442
18
# ORCA AIMD Position Step 940, t=940.00 fs, E_Pot=-685.23852491 Hartree, Unit is Angstrom
 C      1.2534007171      0.9774839600      3.0662102243
 C      0.1948333907      1.5314829273      2.9801305759
 C     -0.9613807518      2.0376058550      2.5375703208
 C     -1.9664159625      2.3170388514      1.8742816004
 C     -2.9335810700      2.1834148241      0.9226358427
 C     -3.4176363377      1.8785097398     -0.1616624819
 C     -3.3354869345      1.3067712337     -1.3820289878
 C     -2.9566571528      0.7215085431     -2.3732444506
 C     -2.2310348835     -0.2710929906     -3.0669833993
 C     -1.3543952110     -1.1054105825     -3.1422898650
 C     -0.2623922209     -1.8943907273     -2.9392444307
 C      0.7733514429     -2.3726348533     -2.5492061135
 C      1.9334599817     -2.6115801753     -1.8709469820
 C      2.7902828339     -2.4180207126     -1.0250324249
 C      3.3688246739     -1.9886694610      0.1182257254
 C      3.4392817925     -1.5438426282      1.2653375932
 C      3.0083646686     -0.6583681591      2.2142475580
 C      2.2704071024      0.0771667490      2.8458612251
18
# ORCA AIMD Position Step 941, t=941.00 fs, E_Pot=-685.23893359 Hartree, Unit is Angstrom
 C      1.2553853093      0.9713259957      3.0676731176
 C      0.1928789304      1.5263734316      2.9830400700
 C     -0.9630114968      2.0299282465      2.5432928423
 C     -1.9687734852      2.3157300801      1.8812776639
 C     -2.9327455491      2.1876779153      0.9172641343
 C     -3.4230766087      1.8855761348     -0.1590513002
 C     -3.3369464165      1.3125655929     -1.3824852332
 C     -2.9486968554      0.7200485215     -2.3772931896
 C     -2.2320716707     -0.2648054941     -3.0725558950
 C     -1.3522562019     -1.0984307221     -3.1476475498
 C     -0.2712451847     -1.8910601811     -2.9411755288
 C      0.7755450247     -2.3691009592     -2.5417195312
 C      1.9296697698     -2.6069997132     -1.8731249259
 C      2.7919127366     -2.4229320060     -1.0278020384
 C      3.3706154405     -1.9983989743      0.1174098201
 C      3.4449859180     -1.5450309460      1.2726242212
 C      3.0120279861     -0.6587737506      2.2138037979
 C      2.2674344198      0.0711215756      2.8389337975
18
# ORCA AIMD Position Step 942, t=942.00 fs, E_Pot=-685.23853390 Hartree, Unit is Angstrom
 C      1.2587882149      0.9638272929      3.0692239815
 C      0.1905267495      1.5218133235      2.9860405581
 C     -0.9665113619      2.0229899928      2.5479600265
 C     -1.9705105922      2.3136925247      1.8888838995
 C     -2.9314324817      2.1921317695      0.9119942662
 C     -3.4280373482      1.8927201284     -0.1562356951
 C     -3.3384917199      1.3182115947     -1.3835671969
 C     -2.9403766674      0.7175154111     -2.3815421866
 C     -2.2337049766     -0.2573350539     -3.0770881909
 C     -1.3500052080     -1.0916643765     -3.1530957814
 C     -0.2799091115     -1.8876994208     -2.9432217123
 C      0.7776088086     -2.3655686547     -2.5344099369
 C      1.9259952330     -2.6020601668     -1.8750574946
 C      2.7933460884     -2.4280346282     -1.0306394397
 C      3.3724547727     -2.0078129070      0.1182659578
 C      3.4504182765     -1.5462521391      1.2782378329
 C      3.0157384822     -0.6596523808      2.2133313290
 C      2.2641486336      0.0658419862      2.8320063512
18
# ORCA AIMD Position Step 943, t=943.00 fs, E_Pot=-685.23757194 Hartree, Unit is Angstrom
 C      1.2630676985      0.9552974315      3.0708180873
 C      0.1881896801      1.5175609927      2.9891784399
 C     -0.9717328994      2.0167633466      2.5516551775
 C     -1.9718963906      2.3109409865      1.8968291175
 C     -2.9293487412      2.1968968686      0.9074078084
 C     -3.4326357544      1.8997470768     -0.1537808167
 C     -3.3399173839      1.3234426696     -1.3856644262
 C     -2.9320944119      0.7144799637     -2.3853022092
 C     -2.2356701107     -0.2489723757     -3.0807131874
 C     -1.3478516606     -1.0849665335     -3.1586355747
 C     -0.2875669098     -1.8846736701     -2.9450937722
 C      0.7786061093     -2.3616838975     -2.5277086509
 C      1.9226716667     -2.5968170341     -1.8765861973
 C      2.7946356756     -2.4332788149     -1.0334014114
 C      3.3743256260     -2.0167558635      0.1210697627
 C      3.4555642292     -1.5477604617      1.2816957195
 C      3.0195783129     -0.6610864892      2.2127716360
 C      2.2605419055      0.0613858730      2.8251898084
18
# ORCA AIMD Position Step 944, t=944.00 fs, E_Pot=-685.23658718 Hartree, Unit is Angstrom
 C      1.2675399273      0.9461429773      3.0724204873
 C      0.1862935800      1.5133555528      2.9924822285
 C     -0.9783032019      2.0111414674      2.5545930899
 C     -1.9733313789      2.3075410657      1.9047639365
 C     -2.9262611767      2.2020641671      0.9039742225
 C     -3.4369555125      1.9064835592     -0.1521807558
 C     -3.3410532569      1.3280628513     -1.3890430718
 C     -2.9242414772      0.7114998515     -2.3879529084
 C     -2.2376195329     -0.2401017662     -3.0836080436
 C     -1.3460295956     -1.0781574474     -3.1642638367
 C     -0.2936111276     -1.8822431391     -2.9465713648
 C      0.7778122614     -2.3571797014     -2.5219580179
 C      1.9198901903     -2.5913210893     -1.8775829358
 C      2.7958662742     -2.4385996704     -1.0358994796
 C      3.3761770399     -2.0251908876      0.1258160854
 C      3.4604137158     -1.5496926356      1.2827806769
 C      3.0235785502     -0.6631088523      2.2121050308
 C      2.2567272037      0.0576839826      2.8185179280
18
# ORCA AIMD Position Step 945, t=945.00 fs, E_Pot=-685.23609052 Hartree, Unit is Angstrom
 C      1.2714834671      0.9368103702      3.0740121196
 C      0.1851907106      1.5089662853      2.9959546541
 C     -0.9856767887      2.0059563313      2.5570846978
 C     -1.9752767061      2.3035988035      1.9123103652
 C     -2.9220560467      2.2076674479      0.9019492889
 C     -3.4410084389      1.9128048096     -0.1517643081
 C     -3.3417844420      1.3319676737     -1.3938081158
 C     -2.9171714369      0.7090718113     -2.3890053947
 C     -2.2391694593     -0.2311533326     -3.0859768885
 C     -1.3447462652     -1.0710698274     -3.1699679525
 C     -0.2977020253     -1.8805347816     -2.9475243797
 C      0.7747905432     -2.3519021938     -2.5173789207
 C      1.9177774242     -2.5856148493     -1.8779575731
 C      2.7971325211     -2.4439225199     -1.0379281800
 C      3.3779338797     -2.0331867579      0.1322508710
 C      3.4649598764     -1.5520677716      1.2815260333
 C      3.0277122762     -0.6657003931      2.2113529272
 C      2.2529320824      0.0545519007      2.8119496249
18
# ORCA AIMD Position Step 946, t=946.00 fs, E_Pot=-685.23632100 Hartree, Unit is Angstrom
 C      1.2742378587      0.9277298472      3.0755914774
 C      0.1850992183      1.5042287771      2.9995685692
 C     -0.9932173103      2.0010087642      2.5594864980
 C     -1.9781719367      2.2992438889      1.9191195633
 C     -2.9167794929      2.2136669299      0.9013121679
 C     -3.4447094804      1.9186490025     -0.1526365434
 C     -3.3420598907      1.3351542478     -1.3998897694
 C     -2.9111723895      0.7075875080     -2.3881432059
 C     -2.2399500899     -0.2225494359     -3.0880276179
 C     -1.3441432018     -1.0635936947     -3.1757232597
 C     -0.2997880247     -1.8795291372     -2.9479247578
 C      0.7694325569     -2.3458215078     -2.5140498629
 C      1.9163844599     -2.5797290049     -1.8776605174
 C      2.7985137979     -2.4491716151     -1.0392978997
 C      3.3795075952     -2.0408991352      0.1399108915
 C      3.4691977837     -1.5547941948      1.2781935120
 C      3.0319004393     -0.6687961785      2.2105696397
 C      2.2494691525      0.0517229378      2.8053888817
18
# ORCA AIMD Position Step 947, t=947.00 fs, E_Pot=-685.23710652 Hartree, Unit is Angstrom
 C      1.2752917135      0.9192597168      3.0771701734
 C      0.1860688413      1.4990665518      3.0032690499
 C     -1.0003017706      1.9961032130      2.5621382218
 C     -1.9823429283      2.2946070924      1.9249354630
 C     -2.9106483148      2.2199471836      0.9017571411
 C     -3.4478771309      1.9240199819     -0.1546729555
 C     -3.3418986787      1.3377261125     -1.4070383303
 C     -2.9064350622      0.7072917834     -2.3852598593
 C     -2.2396606924     -0.2146470809     -3.0899436627
 C     -1.3442651379     -1.0557067981     -3.1814938449
 C     -0.3001074650     -1.8790624110     -2.9478506615
 C      0.7619705040     -2.3390341220     -2.5119001454
 C      1.9156847439     -2.5736836272     -1.8766820300
 C      2.8000559277     -2.4542752397     -1.0398609796
 C      3.3808076737     -2.0485515294      0.1481701721
 C      3.4731270164     -1.5576827591      1.2732442971
 C      3.0360303388     -0.6723025601      2.2098251840
 C      2.2466820256      0.0489013803      2.7987154587
18
# ORCA AIMD Position Step 948, t=948.00 fs, E_Pot=-685.23791616 Hartree, Unit is Angstrom
 C      1.2743575655      0.9116303109      3.0787643369
 C      0.1879694697      1.4934997454      3.0069810745
 C     -1.0064302058      1.9910817030      2.5653001503
 C     -1.9879184831      2.2897925443      1.9296547298
 C     -2.9040241121      2.2263357977      0.9027453730
 C     -3.4502617600      1.9289761409     -0.1575680421
 C     -3.3413935701      1.3398964901     -1.4148296877
 C     -2.9030217521      0.7082432212     -2.3804873601
 C     -2.2381205348     -0.2076772256     -3.0918566990
 C     -1.3450436717     -1.0474910654     -3.1872378206
 C     -0.2991682403     -1.8788399499     -2.9474841369
 C      0.7529603527     -2.3317535044     -2.5107127146
 C      1.9155801200     -2.5674865850     -1.8750488859
 C      2.8017615521     -2.4591738318     -1.0395298538
 C      3.3817512732     -2.0564148428      0.1563023614
 C      3.4767562073     -1.5604706446      1.2672901841
 C      3.0399842955     -0.6761206804      2.2091832333
 C      2.2448743600      0.0458248049      2.7918200880
18
# ORCA AIMD Position Step 949, t=949.00 fs, E_Pot=-685.23813466 Hartree, Unit is Angstrom
 C      1.2714202703      0.9048999948      3.0803844303
 C      0.1905009025      1.4876412390      3.0106198296
 C     -1.0113133969      1.9858480897      2.5691062601
 C     -1.9947852769      2.2848545718      1.9333607367
 C     -2.8973542262      2.2326358519      0.9036048496
 C     -3.4515910625      1.9336106214     -0.1609218053
 C     -3.3407092450      1.3419841045     -1.4226873248
 C     -2.9008457410      0.7102920948     -2.3742034302
 C     -2.2353052292     -0.2016987178     -3.0938256094
 C     -1.3462980658     -1.0391287190     -3.1929164856
 C     -0.2976948533     -1.8784671885     -2.9470956910
 C      0.7432233301     -2.3242864481     -2.5101458383
 C      1.9159155387     -2.5611344869     -1.8728172961
 C      2.8035917820     -2.4638265116     -1.0382818428
 C      3.3822728032     -2.0647782904      0.1635675523
 C      3.4801062112     -1.5628593215      1.2610148238
 C      3.0436687430     -0.6801724298      2.2086810242
 C      2.2442423450      0.0423228747      2.7846365374
18
# ORCA AIMD Position Step 950, t=950.00 fs, E_Pot=-685.23745573 Hartree, Unit is Angstrom
 C      1.2667440610      0.8989395682      3.0820273888
 C      0.1932206596      1.4816831040      3.0141018716
 C     -1.0149080136      1.9803766995      2.5735484189
 C     -2.0025971524      2.2797864935      1.9363136833
 C     -2.8910971891      2.2386596757      0.9036515673
 C     -3.4516194623      1.9380278104     -0.1643360976
 C     -3.3400706609      1.3443931593     -1.4299269364
 C     -2.8996782562      0.7130964830     -2.3669968901
 C     -2.2313584652     -0.1965817667     -3.0958285858
 C     -1.3477498189     -1.0308878030     -3.1985028716
 C     -0.2965331536     -1.8775007589     -2.9470134969
 C      0.7337369691     -2.3169916076     -2.5097788993
 C      1.9165012331     -2.5546158147     -1.8700625311
 C      2.8054745262     -2.4682140923     -1.0361539137
 C      3.3823327519     -2.0739084406      0.1693173585
 C      3.4832101334     -1.5645657147      1.2550670897
 C      3.0470377285     -0.6844206899      2.2083159619
 C      2.2448301750      0.0383558680      2.7771633630
18
# ORCA AIMD Position Step 951, t=951.00 fs, E_Pot=-685.23620271 Hartree, Unit is Angstrom
 C      1.2608309104      0.8934539965      3.0836730544
 C      0.1955903327      1.4758723283      3.0173519074
 C     -1.0173916970      1.9747044295      2.5784946409
 C     -2.0108405668      2.2745267349      1.9388981814
 C     -2.8856523229      2.2442578976      0.9023020414
 C     -3.4501644983      1.9423216551     -0.1674936352
 C     -3.3397366118      1.3475701411     -1.4358300576
 C     -2.8991882263      0.7161823680     -2.3595859531
 C     -2.2265686517     -0.1920332232     -3.0977741990
 C     -1.3490564863     -1.0230931009     -3.2039881606
 C     -0.2965091477     -1.8755166951     -2.9475700943
 C      0.7254801062     -2.3102193390     -2.5091784057
 C      1.9171424010     -2.5479150151     -1.8668644864
 C      2.8073127191     -2.4723406592     -1.0332369961
 C      3.3819246823     -2.0840002885      0.1731051064
 C      3.4861053501     -1.5653802540      1.2499448739
 C      3.0501046412     -0.6888762729      2.2080427529
 C      2.2465211012      0.0340211415      2.7694723279
18
# ORCA AIMD Position Step 952, t=952.00 fs, E_Pot=-685.23525352 Hartree, Unit is Angstrom
 C      1.2543340879      0.8880388001      3.0852846074
 C      0.1970413068      1.4704779909      3.0203093234
 C     -1.0190963732      1.9689125570      2.5837298771
 C     -2.0189331015      2.2689800848      1.9415393568
 C     -2.8813043840      2.2493334121      0.8991637583
 C     -3.4471281381      1.9465607923     -0.1702057096
 C     -3.3399569776      1.3519344598     -1.4397474636
 C     -2.8990118893      0.7190417366     -2.3526950106
 C     -2.2213184443     -0.1876572714     -3.0995257989
 C     -1.3498599956     -1.0160833048     -3.2093825008
 C     -0.2982506542     -1.8721961066     -2.9490306022
 C      0.7192471318     -2.3042407482     -2.5079831945
 C      1.9176585788     -2.5410201143     -1.8632985418
 C      2.8089923175     -2.4762297170     -1.0296678690
 C      3.3810863780     -2.0951269630      0.1747779773
 C      3.4888267372     -1.5652205228      1.2458960485
 C      3.0529364910     -0.6935924172      2.2077816432
 C      2.2490618955      0.0295330659      2.7617023682
18
# ORCA AIMD Position Step 953, t=953.00 fs, E_Pot=-685.23544970 Hartree, Unit is Angstrom
 C      1.2479436422      0.8822630599      3.0868094979
 C      0.1970611161      1.4657477743      3.0229314126
 C     -1.0204260466      1.9631084030      2.5890022676
 C     -2.0263253609      2.2630453861      1.9446118753
 C     -2.8781821825      2.2538476834      0.8941046919
 C     -3.4425119221      1.9507782087     -0.1724317337
 C     -3.3409161521      1.3577887491     -1.4412213021
 C     -2.8988370785      0.7212482736     -2.3469141108
 C     -2.2160162205     -0.1830399690     -3.1009320115
 C     -1.3498501553     -1.0101567119     -3.2147086506
 C     -0.3020191307     -1.8674065925     -2.9515207192
 C      0.7154830204     -2.2991847045     -2.5059834361
 C      1.9178994347     -2.5339331106     -1.8594328039
 C      2.8103889067     -2.4799200724     -1.0256241943
 C      3.3799044209     -2.1072039724      0.1745142424
 C      3.4913967935     -1.5641606576      1.2428748566
 C      3.0556352541     -0.6986434082      2.2074366223
 C      2.2521082494      0.0251815249      2.7540442863
18
# ORCA AIMD Position Step 954, t=954.00 fs, E_Pot=-685.23690787 Hartree, Unit is Angstrom
 C      1.2422566550      0.8757624577      3.0881838667
 C      0.1952943223      1.4618566433      3.0251971138
 C     -1.0217827120      1.9574086483      2.5940642537
 C     -2.0325883377      2.2566446746      1.9483596226
 C     -2.8762366570      2.2578182357      0.8873033982
 C     -3.4364239622      1.9549668863     -0.1742816232
 C     -3.3426784990      1.3652298238     -1.4401042191
 C     -2.8984781195      0.7225623368     -2.3425691935
 C     -2.2110204239     -0.1778379904     -3.1018606133
 C     -1.3488365767     -1.0055110738     -3.2199923415
 C     -0.3076109386     -1.8612491123     -2.9549787207
 C      0.7141933935     -2.2950071444     -2.5031664004
 C      1.9177491995     -2.5266773524     -1.8553311155
 C      2.8113738296     -2.4834599825     -1.0213194463
 C      3.3785121417     -2.1199849955      0.1727919263
 C      3.4938222776     -1.5624288877      1.2405698753
 C      3.0583102159     -0.7040949483      2.2069171765
 C      2.2552826576      0.0212803985      2.7467161719
18
# ORCA AIMD Position Step 955, t=955.00 fs, E_Pot=-685.23884416 Hartree, Unit is Angstrom
 C      1.2376552511      0.8683182829      3.0893373200
 C      0.1916373655      1.4588525488      3.0271112112
 C     -1.0235061358      1.9519203964      2.5987114434
 C     -2.0374792044      2.2497437255      1.9528447607
 C     -2.8752343408      2.2613174330      0.8792628194
 C     -3.4290792175      1.9590825503     -0.1760053363
 C     -3.3451564346      1.3740941016     -1.4366308214
 C     -2.8979194246      0.7229977143     -2.3396469798
 C     -2.2065764045     -0.1718455273     -3.1022201567
 C     -1.3468028165     -1.0021867119     -3.2252572143
 C     -0.3143777966     -1.8540546508     -2.9591592849
 C      0.7149658306     -2.2915009849     -2.4997107470
 C      1.9171183444     -2.5192972176     -1.8510605591
 C      2.8118306744     -2.4868994570     -1.0169812626
 C      3.3770782091     -2.1331036880      0.1702923102
 C      3.4960968868     -1.5603676018      1.2384892304
 C      3.0610477835     -0.7099777430      2.2061611458
 C      2.2582339086      0.0181117993      2.7399278333
18
# ORCA AIMD Position Step 956, t=956.00 fs, E_Pot=-685.24009425 Hartree, Unit is Angstrom
 C      1.2342320420      0.8598966115      3.0901999354
 C      0.1862740060      1.4566279166      3.0287094874
 C     -1.0258329515      1.9467231009      2.6028118787
 C     -2.0409675615      2.2423550572      1.9579443671
 C     -2.8747863391      2.2644653139      0.8707481645
 C     -3.4207763781      1.9630612049     -0.1779480692
 C     -3.3481316947      1.3839890230     -1.4313793372
 C     -2.8973027690      0.7228032235     -2.3378271043
 C     -2.2027655369     -0.1650339078     -3.1019770047
 C     -1.3439365041     -1.0000295049     -3.2305198233
 C     -0.3213809242     -1.8463105971     -2.9636957354
 C      0.7171087605     -2.2883516743     -2.4959248517
 C      1.9159443233     -2.5118472584     -1.8466869137
 C      2.8116626599     -2.4902897888     -1.0128310144
 C      3.3757828040     -2.1461539019      0.1677592428
 C      3.4982108236     -1.5583622612      1.2360894902
 C      3.0638836439     -0.7162665759      2.2051503015
 C      2.2607018446      0.0158664395      2.7338368481
18
# ORCA AIMD Position Step 957, t=957.00 fs, E_Pot=-685.23989481 Hartree, Unit is Angstrom
 C      1.2317935159      0.8506391260      3.0907084693
 C      0.1796397919      1.4549314292      3.0300513409
 C     -1.0288737647      1.9418554152      2.6063224564
 C     -2.0432223855      2.2345340145      1.9633843046
 C     -2.8744135905      2.2674128018      0.8626789484
 C     -3.4118528976      1.9668365289     -0.1804940181
 C     -3.3513068511      1.3943768991     -1.4251602319
 C     -2.8968743132      0.7223877779     -2.3365800656
 C     -2.1995121038     -0.1575337452     -3.1011564276
 C     -1.3405978741     -0.9987113909     -3.2357906641
 C     -0.3275905071     -1.8385596362     -2.9681809248
 C      0.7198362170     -2.2852130250     -2.4921645563
 C      1.9141793168     -2.5043821861     -1.8422772054
 C      2.8108081444     -2.4936807807     -1.0090488037
 C      3.3747925838     -2.1587650759      0.1658649623
 C      3.5001549274     -1.5567707063      1.2328878123
 C      3.0667902894     -0.7228765488      2.2039152245
 C      2.2625510864      0.0146121485      2.7285217730
18
# ORCA AIMD Position Step 958, t=958.00 fs, E_Pot=-685.23837457 Hartree, Unit is Angstrom
 C      1.2299276343      0.8408173796      3.0908126218
 C      0.1723365567      1.4534111674      3.0312106140
 C     -1.0326039540      1.9373087299      2.6092947531
 C     -2.0445742648      2.2263732606      1.9687836658
 C     -2.8736284614      2.2703133104      0.8559834377
 C     -3.4026317642      1.9703689962     -0.1839720112
 C     -3.3543674034      1.4046661997     -1.4188798778
 C     -2.8969143675      0.7222189422     -2.3353118250
 C     -2.1966345471     -0.1495744120     -3.0998139908
 C     -1.3372387942     -0.9978047779     -3.2410755567
 C     -0.3320669404     -1.8313083475     -2.9722435186
 C      0.7224320026     -2.2817669299     -2.4887555111
 C      1.9117737849     -2.4969476167     -1.8379006435
 C      2.8092473472     -2.4971124746     -1.0057523571
 C      3.3742362349     -2.1706678553      0.1651001109
 C      3.5019255427     -1.5558638538      1.2285483698
 C      3.0696760030     -0.7296673642      2.2025290292
 C      2.2637797343      0.0142917716      2.7239753514
18
# ORCA AIMD Position Step 959, t=959.00 fs, E_Pot=-685.23643491 Hartree, Unit is Angstrom
 C      1.2281090159      0.8307707041      3.0904774817
 C      0.1650163953      1.4516782724      3.0322612865
 C     -1.0368806535      1.9330320987      2.6118590146
 C     -2.0454501813      2.2179912111      1.9737168145
 C     -2.8720244423      2.2732874763      0.8514410192
 C     -3.3933632114      1.9736720319     -0.1885538620
 C     -3.3570375986      1.4143062081     -1.4134099354
 C     -2.8976697129      0.7227206968     -2.3334936729
 C     -2.1939015473     -0.1414271446     -3.0980181229
 C     -1.3343199099     -0.9968579342     -3.2463708040
 C     -0.3340858730     -1.8249537160     -2.9755970504
 C      0.7243463869     -2.2777678701     -2.4859525656
 C      1.9086849566     -2.4895807724     -1.8336190569
 C      2.8069955779     -2.5006094260     -1.0029887455
 C      3.3741952718     -2.1817146793      0.1657239989
 C      3.5035205059     -1.5557953098      1.2229280022
 C      3.0723959734     -0.7364618355      2.2010898684
 C      2.2645033932      0.0147390475      2.7201149189
18
# ORCA AIMD Position Step 960, t=960.00 fs, E_Pot=-685.23511705 Hartree, Unit is Angstrom
 C      1.2258031785      0.8208479830      3.0896853498
 C      0.1582840658      1.4493642463      3.0332660138
 C     -1.0414759163      1.9289440086      2.6141979299
 C     -2.0463041853      2.2095186443      1.9777759126
 C     -2.8693456089      2.2763982915      0.8495468110
 C     -3.3841823204      1.9768330691     -0.1941653914
 C     -3.3591124198      1.4228454831     -1.4094936942
 C     -2.8993097467      0.7242006149     -2.3307542055
 C     -2.1910881747     -0.1333516310     -3.0958292152
 C     -1.3322296925     -0.9954728420     -3.2516559881
 C     -0.3332114450     -1.8197389295     -2.9780705066
 C      0.7252372683     -2.2730595350     -2.4839203596
 C      1.9048857117     -2.4823138832     -1.8294764251
 C      2.8040932759     -2.5041813648     -1.0007468407
 C      3.3746976479     -2.1918872799      0.1677502807
 C      3.5049412056     -1.5565854650      1.2160896182
 C      3.0747721217     -0.7430621395      2.1997050959
 C      2.2649226388      0.0157091591      2.7168030357
18
# ORCA AIMD Position Step 961, t=961.00 fs, E_Pot=-685.23508412 Hartree, Unit is Angstrom
 C      1.2225527939      0.8113628679      3.0884344252
 C      0.1526213571      1.4461693343      3.0342689680
 C     -1.0461209528      1.9249523962      2.6165128274
 C     -2.0475351791      2.2010887004      1.9806234501
 C     -2.8655292935      2.2796228731      0.8504298242
 C     -3.3751000554      1.9800217611     -0.2004471483
 C     -3.3604754829      1.4299678633     -1.4076827151
 C     -2.9018983672      0.7268082540     -2.3269344487
 C     -2.1880119537     -0.1255705291     -3.0932877864
 C     -1.3312303417     -0.9933600556     -3.2568850273
 C     -0.3293369083     -1.8157278897     -2.9796170829
 C      0.7249781648     -2.2675831490     -2.4827294147
 C      1.9003881021     -2.4751828734     -1.8254898134
 C      2.8005884453     -2.5078214972     -0.9989778090
 C      3.3757206176     -2.2012785103      0.1709643408
 C      3.5061904003     -1.5581265309      1.2082957832
 C      3.0766147138     -0.7492659595      2.1984723783
 C      2.2652849235      0.0169145647      2.7138757921
18
# ORCA AIMD Position Step 962, t=962.00 fs, E_Pot=-685.23624756 Hartree, Unit is Angstrom
 C      1.2180458637      0.8025604175      3.0867369993
 C      0.1483425290      1.4418953461      3.0352895444
 C     -1.0505608729      1.9209737419      2.6189835838
 C     -2.0494172559      2.1928241396      1.9820515687
 C     -2.8607169048      2.2828596922      0.8538341017
 C     -3.3660167279      1.9834650008     -0.2067908073
 C     -3.3611025797      1.4355182817     -1.4082833541
 C     -2.9053791346      0.7305141211     -2.3221071560
 C     -2.1845601930     -0.1182511711     -3.0904087978
 C     -1.3314222283     -0.9903727184     -3.2619830865
 C     -0.3227032265     -1.8127983065     -2.9803245158
 C      0.7236546150     -2.2613826506     -2.4823556089
 C      1.8952576315     -2.4682347163     -1.8216426809
 C      2.7965284228     -2.5115067249     -0.9976159349
 C      3.3771958423     -2.2100690144      0.1749626544
 C      3.5072722146     -1.5601971280      1.1999818662
 C      3.0777480312     -0.7548834529      2.1974657887
 C      2.2658377984      0.0180642519      2.7111708344
18
# ORCA AIMD Position Step 963, t=963.00 fs, E_Pot=-685.23787525 Hartree, Unit is Angstrom
 C      1.2121647612      0.7945829984      3.0846155648
 C      0.1455618234      1.4364650240      3.0363229292
 C     -1.0546105607      1.9169466511      2.6217333014
 C     -2.0520377648      2.1848184901      1.9820317735
 C     -2.8552209197      2.2859532558      0.8591729895
 C     -3.3567624429      1.9874066143     -0.2124605234
 C     -3.3610654016      1.4395360367     -1.4112955256
 C     -2.9095745878      0.7351035463     -2.3165807602
 C     -2.1806987521     -0.1114943552     -3.0871866930
 C     -1.3327387787     -0.9865129029     -3.2668506055
 C     -0.3138912466     -1.8106494212     -2.9804123659
 C      0.7215609316     -2.2546024052     -2.4826758877
 C      1.8896133356     -2.4615277264     -1.8178888272
 C      2.7919533431     -2.5152046852     -0.9965936327
 C      3.3790227446     -2.2184997806      0.1792159490
 C      3.5081961006     -1.5624941836      1.1916996575
 C      3.0780353443     -0.7597604780      2.1967241408
 C      2.2667801655      0.0189064978      2.7085506166
18
# ORCA AIMD Position Step 964, t=964.00 fs, E_Pot=-685.23898500 Hartree, Unit is Angstrom
 C      1.2050098902      0.7874410218      3.0820947265
 C      0.1441787616      1.4299248853      3.0373441798
 C     -1.0581947552      1.9128403038      2.6248061597
 C     -2.0552685741      2.1771174038      1.9807363047
 C     -2.8494611971      2.2887301223      0.8656477730
 C     -3.3471446835      1.9920549845     -0.2167586253
 C     -3.3605307435      1.4422787195     -1.4163799760
 C     -2.9141986667      0.7401938259     -2.3108733966
 C     -2.1764718283     -0.1053235083     -3.0835954193
 C     -1.3349644076     -0.9819139949     -3.2713815625
 C     -0.3037646234     -1.8088358326     -2.9802208645
 C      0.7191805282     -2.2474721298     -2.4834736867
 C      1.8836071706     -2.4551221888     -1.8141592541
 C      2.7868952410     -2.5188795708     -0.9958452325
 C      3.3810854610     -2.2268366098      0.1831597760
 C      3.5089744092     -1.5646853869      1.1840313516
 C      3.0774003009     -0.7638007166      2.1962402260
 C      2.2682244803      0.0192650877      2.7059249232
18
# ORCA AIMD Position Step 965, t=965.00 fs, E_Pot=-685.23892290 Hartree, Unit is Angstrom
 C      1.1969239285      0.7809850229      3.0791931785
 C      0.1438740041      1.4224473214      3.0383165266
 C     -1.0613581570      1.9086502861      2.6281648374
 C     -2.0588107952      2.1697177471      1.9784903549
 C     -2.8438651350      2.2910372282      0.8724321486
 C     -3.3369982525      1.9975426654     -0.2191769845
 C     -3.3597470438      1.4442120190     -1.4228773467
 C     -2.9188653663      0.7452496556     -2.3056863917
 C     -2.1720179321     -0.0996587568     -3.0795724212
 C     -1.3377616330     -0.9768170543     -3.2754812216
 C     -0.2933818750     -1.8068141382     -2.9801815766
 C      0.7171551355     -2.2402853192     -2.4844485975
 C      1.8773776666     -2.4490713336     -1.8103935404
 C      2.7813987764     -2.5224964561     -0.9952817167
 C      3.3832647876     -2.2353290069      0.1862746621
 C      3.5096130013     -1.5664610960      1.1775026986
 C      3.0758521843     -0.7669951239      2.1959458438
 C      2.2701576549      0.0190762804      2.7032691522
18
# ORCA AIMD Position Step 966, t=966.00 fs, E_Pot=-685.23769611 Hartree, Unit is Angstrom
 C      1.1883787552      0.7749714920      3.0759202399
 C      0.1441907247      1.4142729270      3.0391868439
 C     -1.0642240391      1.9043889863      2.6317237584
 C     -2.0621853340      2.1625610556      1.9758059943
 C     -2.8388771100      2.2927779517      0.8786982833
 C     -3.3262095551      2.0039036910     -0.2194790964
 C     -3.3590044507      1.4459484161     -1.4299042420
 C     -2.9231925583      0.7497186663     -2.3017396220
 C     -2.1674689297     -0.0944208033     -3.0750933417
 C     -1.3407682870     -0.9714877692     -3.2790745601
 C     -0.2838049801     -1.8040442122     -2.9807425039
 C      0.7161191722     -2.2333328125     -2.4852971593
 C      1.8710840485     -2.4434253554     -1.8065099058
 C      2.7754896504     -2.5260346932     -0.9948524250
 C      3.3854760802     -2.2441457060      0.1882259451
 C      3.5101250282     -1.5676152645      1.1724663624
 C      3.0734456523     -0.7693819865      2.1957549460
 C      2.2724764268      0.0183583697      2.7006072286
18
# ORCA AIMD Position Step 967, t=967.00 fs, E_Pot=-685.23610527 Hartree, Unit is Angstrom
 C      1.1799967630      0.7690484136      3.0722750435
 C      0.1445423846      1.4057178554      3.0399039416
 C     -1.0669555922      1.9000710857      2.6353648573
 C     -2.0648921441      2.1555700335      1.9732105326
 C     -2.8348213078      2.2939183131      0.8838524379
 C     -3.3147554872      2.0110724260     -0.2177433415
 C     -3.3585856360      1.4481435103     -1.4365037637
 C     -2.9268101179      0.7530633202     -2.2997218838
 C     -2.1630105166     -0.0894656496     -3.0701208143
 C     -1.3435914546     -0.9662229864     -3.2821140011
 C     -0.2759730616     -1.8000461302     -2.9823094865
 C      0.7166190128     -2.2268633361     -2.4857505330
 C      1.8648341307     -2.4382235520     -1.8024699914
 C      2.7692359051     -2.5294807997     -0.9944598563
 C      3.3876592120     -2.2533436219      0.1888721340
 C      3.5105023917     -1.5680702710      1.1690720453
 C      3.0703200511     -0.7710876806      2.1955272993
 C      2.2749581563      0.0172415128      2.6980311371
18
# ORCA AIMD Position Step 968, t=968.00 fs, E_Pot=-685.23519861 Hartree, Unit is Angstrom
 C      1.1724357231      0.7628350126      3.0682521765
 C      0.1443162073      1.3971162124      3.0404210756
 C     -1.0696998116      1.8957041966      2.6389801077
 C     -2.0664823672      2.1486696486      1.9711877090
 C     -2.8318918183      2.2944894884      0.8875655088
 C     -3.3027068384      2.0188988848     -0.2143266643
 C     -3.3587048103      1.4513676160     -1.4418282883
 C     -2.9294524454      0.7548967961     -2.3001270719
 C     -2.1588132655     -0.0846642338     -3.0646460445
 C     -1.3458812129     -0.9612868358     -3.2845767299
 C     -0.2705240298     -1.7944914753     -2.9851621450
 C      0.7189374319     -2.2210170778     -2.4856675352
 C      1.8587189541     -2.4335032523     -1.7982539266
 C      2.7627368842     -2.5328293872     -0.9939861105
 C      3.3897854258     -2.2628451872      0.1882931257
 C      3.5107222633     -1.5678958111      1.1672464302
 C      3.0666666188     -0.7722918653      2.1950986481
 C      2.2773120756      0.0159218897      2.6956739019
18
# ORCA AIMD Position Step 969, t=969.00 fs, E_Pot=-685.23548758 Hartree, Unit is Angstrom
 C      1.1662857355      0.7559974008      3.0638512904
 C      0.1429722365      1.3887721627      3.0407024750
 C     -1.0725452174      1.8912844697      2.6424952125
 C     -2.0666363433      2.1418141481      1.9701005114
 C     -2.8301272473      2.2945768230      0.8898273685
 C     -3.2902386898      2.0271597483     -0.2098339818
 C     -3.3594432457      1.4559744431     -1.4453128549
 C     -2.9310303635      0.7551019754     -2.3031115706
 C     -2.1549985776     -0.0799481395     -3.0587124648
 C     -1.3473676094     -0.9568785946     -3.2864576682
 C     -0.2676804772     -1.7872629405     -2.9893872169
 C      0.7229779756     -2.2157837706     -2.4850984019
 C      1.8528219952     -2.4293048193     -1.7938617499
 C      2.7561337405     -2.5360795821     -0.9932885857
 C      3.3918508755     -2.2724428888      0.1867622857
 C      3.5107492955     -1.5672965445      1.1667173330
 C      3.0627089623     -0.7732045089      2.1943001623
 C      2.2792223325      0.0146277109      2.6936878002
18
# ORCA AIMD Position Step 970, t=970.00 fs, E_Pot=-685.23652213 Hartree, Unit is Angstrom
 C      1.1619488973      0.7483299251      3.0590835688
 C      0.1401553000      1.3809000976      3.0407297398
 C     -1.0754885111      1.8867906228      2.6458906339
 C     -2.0652293594      2.1350078593      1.9701288489
 C     -2.8293942023      2.2943086155      0.8909739726
 C     -3.2776308361      2.0355764953     -0.2050763544
 C     -3.3607073115      1.4620059529     -1.4467933055
 C     -2.9316750798      0.7539057114     -2.3084067818
 C     -2.1516241131     -0.0753276679     -3.0524245106
 C     -1.3478766104     -0.9531204456     -3.2877673769
 C     -0.2672143512     -1.7784754337     -2.9948526481
 C      0.7282402542     -2.2109950458     -2.4842996457
 C      1.8472104556     -2.4256701295     -1.7893238045
 C      2.7496155674     -2.5392324740     -0.9921970568
 C      3.3938666584     -2.2818288712      0.1846875035
 C      3.5105404473     -1.5665759985      1.1670727675
 C      3.0586822020     -0.7740393754      2.1929756768
 C      2.2803954476      0.0135796775      2.6922208702
18
# ORCA AIMD Position Step 971, t=971.00 fs, E_Pot=-685.23728730 Hartree, Unit is Angstrom
 C      1.1595382324      0.7398103253      3.0539770432
 C      0.1357820776      1.3735685119      3.0405044337
 C     -1.0784266462      1.8821810264      2.6492154249
 C     -2.0623597741      2.1283069851      1.9712443601
 C     -2.8294097724      2.2938371689      0.8916313083
 C     -3.2652275103      2.0438508227     -0.2009741130
 C     -3.3622466657      1.4692048168     -1.4465018053
 C     -2.9317221223      0.7518524747     -2.3153580519
 C     -2.1486636818     -0.0709036200     -3.0459465046
 C     -1.3473540430     -0.9500342792     -3.2885282121
 C     -0.2685291695     -1.7684369769     -3.0012492522
 C      0.7339253728     -2.2063611170     -2.4836838563
 C      1.8419363576     -2.4226365356     -1.7846885697
 C      2.7433978032     -2.5422926108     -0.9905284750
 C      3.3958486657     -2.2906587945      0.1825252384
 C      3.5100527832     -1.5660760507      1.1678437642
 C      3.0547939685     -0.7749789834      2.1910059321
 C      2.2806191687      0.0129398142      2.6913819528
18
# ORCA AIMD Position Step 972, t=972.00 fs, E_Pot=-685.23707944 Hartree, Unit is Angstrom
 C      1.1588429025      0.7306078634      3.0485770619
 C      0.1300614226      1.3666766115      3.0400474355
 C     -1.0811683165      1.8773917433      2.6525902874
 C     -2.0583277188      2.1218087947      1.9732285103
 C     -2.8298039452      2.2933109053      0.8925837036
 C     -3.2533739474      2.0517111163     -0.1984238331
 C     -3.3637186888      1.4771109463     -1.4449570686
 C     -2.9316372370      0.7496899209     -2.3230738946
 C     -2.1460152625     -0.0668482676     -3.0394795133
 C     -1.3458608736     -0.9475423952     -3.2887720360
 C     -0.2708191281     -1.7575667734     -3.0081745550
 C      0.7391249041     -2.2015368021     -2.4837249584
 C      1.8370239936     -2.4202292558     -1.7800164145
 C      2.7376931494     -2.5452689898     -0.9881022294
 C      3.3978089937     -2.2986189009      0.1806964367
 C      3.5092508827     -1.5661151405      1.1685897137
 C      3.0511887365     -0.7761441079      2.1883243976
 C      2.2798080052      0.0127707692      2.6912124076
18
# ORCA AIMD Position Step 973, t=973.00 fs, E_Pot=-685.23602921 Hartree, Unit is Angstrom
 C      1.1593758391      0.7210480394      3.0429452232
 C      0.1234408298      1.3599799811      3.0393934115
 C     -1.0834618928      1.8723416791      2.6561937044
 C     -2.0535766868      2.1156350878      1.9757332457
 C     -2.8302112091      2.2928459361      0.8945833098
 C     -3.2423466645      2.0589539111     -0.1981432541
 C     -3.3647658912      1.4851909535     -1.4428077935
 C     -2.9319142398      0.7482108815     -2.3306166932
 C     -2.1435337882     -0.0633645008     -3.0332295420
 C     -1.3435511075     -0.9454866154     -3.2885375583
 C     -0.2732402369     -1.7463094286     -3.0152238120
 C      0.7430155363     -2.1961941987     -2.4848547547
 C      1.8324604505     -2.4184577142     -1.7753735284
 C      2.7326809526     -2.5481746622     -0.9847634434
 C      3.3997521002     -2.3054708583      0.1795254481
 C      3.5081073350     -1.5669416307      1.1689651356
 C      3.0479284006     -0.7775771607      2.1849240357
 C      2.2780238111      0.0130135931      2.6916727155
18
# ORCA AIMD Position Step 974, t=974.00 fs, E_Pot=-685.23492833 Hartree, Unit is Angstrom
 C      1.1604780048      0.7115477310      3.0371599521
 C      0.1165069685      1.3531508398      3.0385852684
 C     -1.0850417968      1.8669453416      2.6602314674
 C     -2.0486080378      2.1099151813      1.9783594756
 C     -2.8303604787      2.2925002910      0.8981492045
 C     -3.2323002107      2.0654748531     -0.2005216257
 C     -3.3650792361      1.4929488109     -1.4406933340
 C     -2.9329794357      0.7481098508     -2.3371675823
 C     -2.1410795208     -0.0606374650     -3.0273743219
 C     -1.3406407535     -0.9436594313     -3.2878689976
 C     -0.2750423390     -1.7350726063     -3.0220540858
 C      0.7450046072     -2.1900797327     -2.4873830815
 C      1.8281949644     -2.4173164334     -1.7708293828
 C      2.7284790541     -2.5510219445     -0.9804089888
 C      3.4016721071     -2.3110747092      0.1792093633
 C      3.5066043102     -1.5687048317      1.1687601137
 C      3.0449935478     -0.7792412531      2.1808517817
 C      2.2754687105      0.0134909910      2.6926453291
18
# ORCA AIMD Position Step 975, t=975.00 fs, E_Pot=-685.23457597 Hartree, Unit is Angstrom
 C      1.1614438762      0.7025447510      3.0313159055
 C      0.1098775372      1.3458493119      3.0376697053
 C     -1.0856871278      1.8611333974      2.6648919502
 C     -2.0438895044      2.1047669652      1.9807380526
 C     -2.8301370238      2.2922595327      0.9034189435
 C     -3.2232424844      2.0712798050     -0.2055189136
 C     -3.3644361995      1.4999926096     -1.4391525042
 C     -2.9351209867      0.7498826300     -2.3421335981
 C     -2.1385676791     -0.0587873416     -3.0220335561
 C     -1.3373752488     -0.9418347679     -3.2868163594
 C     -0.2756506895     -1.7241924711     -3.0284189416
 C      0.7448094011     -2.1830523621     -2.4914501019
 C      1.8241509223     -2.4167859066     -1.7664530603
 C      2.7251196601     -2.5538184920     -0.9750148828
 C      3.4035523822     -2.3153901456      0.1798122979
 C      3.5047350920     -1.5714441897      1.1679152257
 C      3.0423008988     -0.7810368093      2.1761979051
 C      2.2724543810      0.0139348118      2.6939498604
18
# ORCA AIMD Position Step 976, t=976.00 fs, E_Pot=-685.23522207 Hartree, Unit is Angstrom
 C      1.1616378376      0.6944332900      3.0255198580
 C      0.1041098183      1.3377871957      3.0366956867
 C     -1.0852862567      1.8548759239      2.6702953000
 C     -2.0397696757      2.1002796403      1.9826025027
 C     -2.8295963017      2.2920443257      0.9101013431
 C     -3.2150483090      2.0764743631     -0.2126535623
 C     -3.3627172062      1.5060639783     -1.4385731286
 C     -2.9384469293      0.7537673887     -2.3452026220
 C     -2.1360059426     -0.0578349833     -3.0172526489
 C     -1.3340050003     -0.9397963297     -3.2854363414
 C     -0.2747090571     -1.7139170682     -3.0341843806
 C      0.7424835572     -2.1751046159     -2.4970025229
 C      1.8202454913     -2.4168370392     -1.7623035080
 C      2.7225333846     -2.5565619029     -0.9686641724
 C      3.4053687788     -2.3184706290      0.1812740103
 C      3.5025060362     -1.5750880425      1.1665191379
 C      3.0397304013     -0.7828240287      2.1710836351
 C      2.2693531990      0.0140279824      2.6953687694
18
# ORCA AIMD Position Step 977, t=977.00 fs, E_Pot=-685.23646048 Hartree, Unit is Angstrom
 C      1.1605926023      0.6875069683      3.0198811984
 C      0.0996289376      1.3287715647      3.0357121872
 C     -1.0838890725      1.8481996905      2.6764510289
 C     -2.0364127109      2.0964952373      1.9838416450
 C     -2.8289325000      2.2917355326      0.9175441692
 C     -3.2075011192      2.0812371063     -0.2210914939
 C     -3.3599091186      1.5110522904     -1.4391664940
 C     -2.9428739405      0.7597227518     -2.3463607007
 C     -2.1335065235     -0.0576877700     -3.0129978854
 C     -1.3307619633     -0.9373605906     -3.2837898402
 C     -0.2721051078     -1.7043902559     -3.0393347426
 C      0.7384033240     -2.1663664712     -2.5037993789
 C      1.8164144889     -2.4174298447     -1.7584184844
 C      2.7205404988     -2.5592409826     -0.9615579600
 C      3.4070964003     -2.3204526382      0.1834302757
 C      3.4999393885     -1.5794673858      1.1647899287
 C      3.0371519595     -0.7844495661      2.1656467176
 C      2.2665371155      0.0134555166      2.6966785445
18
# ORCA AIMD Position Step 978, t=978.00 fs, E_Pot=-685.23753024 Hartree, Unit is Angstrom
 C      1.1580749717      0.6819151834      3.0144967560
 C      0.0966756970      1.3187247778      3.0347654824
 C     -1.0817262059      1.8411898171      2.6832438524
 C     -2.0337617368      2.0933943898      1.9845287049
 C     -2.8284250303      2.2912042005      0.9248771031
 C     -3.2003455919      2.0857847185     -0.2298145745
 C     -3.3560995226      1.5150041668     -1.4409508403
 C     -2.9481518180      0.7674522061     -2.3458705594
 C     -2.1312619452     -0.0581609548     -3.0091722378
 C     -1.3278354533     -0.9343900096     -3.2819361493
 C     -0.2679792463     -1.6956345487     -3.0439744206
 C      0.7332085245     -2.1570864353     -2.5114463974
 C      1.8126385182     -2.4185182026     -1.7547955240
 C      2.7188592567     -2.5618385522     -0.9540074740
 C      3.4087167217     -2.3215417193      0.1860441556
 C      3.4970755296     -1.5843416857      1.1630371888
 C      3.0344451405     -0.7857714875      2.1600294496
 C      2.2643190381      0.0119532780      2.6976775716
18
# ORCA AIMD Position Step 979, t=979.00 fs, E_Pot=-685.23771519 Hartree, Unit is Angstrom
 C      1.1541364679      0.6776301785      3.0094348507
 C      0.0952781368      1.3076887124      3.0338992465
 C     -1.0791812326      1.8339794534      2.6904509185
 C     -2.0315795863      2.0909033427      1.9848826137
 C     -2.8283606732      2.2903384538      0.9312047006
 C     -3.1933399024      2.0903285289     -0.2378141616
 C     -3.3514593699      1.5181253464     -1.4437456710
 C     -2.9539030943      0.7764490615     -2.3442282223
 C     -2.1295254811     -0.0589948630     -3.0056321174
 C     -1.3253601009     -0.9308009128     -3.2799344469
 C     -0.2626942661     -1.6875481558     -3.0483190437
 C      0.7277409032     -2.1476092732     -2.5194351966
 C      1.8089288975     -2.4200562728     -1.7513966840
 C      2.7171451821     -2.5643364908     -0.9463914248
 C      3.4102187310     -2.3219832910      0.1888391183
 C      3.4939643234     -1.5894366504      1.1616193003
 C      3.0315216339     -0.7866781966      2.1543539196
 C      2.2628984434      0.0093472793      2.6982200615
18
# ORCA AIMD Position Step 980, t=980.00 fs, E_Pot=-685.23678247 Hartree, Unit is Angstrom
 C      1.1491125471      0.6744468071      3.0047271281
 C      0.0952477196      1.2958170310      3.0331551416
 C     -1.0767254615      1.8267257301      2.6977845905
 C     -2.0295189140      2.0889125276      1.9852119711
 C     -2.8289763136      2.2890573045      0.9357508325
 C     -3.1862918380      2.0950475464     -0.2442376365
 C     -3.3462202478      1.5207629031     -1.4471878066
 C     -2.9596823317      0.7860701717     -2.3420931859
 C     -2.1285663697     -0.0599029877     -3.0022198570
 C     -1.3234103939     -0.9265587350     -3.2778374568
 C     -0.2567792865     -1.6799247812     -3.0526655182
 C      0.7229349885     -2.1383326447     -2.5272096770
 C      1.8053315278     -2.4219977951     -1.7481559965
 C      2.7150337168     -2.5667232882     -0.9391073708
 C      3.4116005004     -2.3220318651      0.1915371626
 C      3.4906664601     -1.5944891955      1.1608868943
 C      3.0283310338     -0.7870994023      2.1487183482
 C      2.2623328344      0.0055739664      2.6982275757
18
# ORCA AIMD Position Step 981, t=981.00 fs, E_Pot=-685.23510656 Hartree, Unit is Angstrom
 C      1.1435942090      0.6720017943      3.0003680368
 C      0.0961818451      1.2833688933      3.0325704780
 C     -1.0748399563      1.8195834135      2.7049380080
 C     -2.0272053421      2.0872972708      1.9858395599
 C     -2.8304087330      2.2873171972      0.9379908666
 C     -3.1790847739      2.1000614599     -0.2485094039
 C     -3.3406460148      1.5233773510     -1.4507595932
 C     -2.9650321020      0.7956112609     -2.3402119282
 C     -2.1286342527     -0.0606119235     -2.9987897233
 C     -1.3220012349     -0.9216710166     -3.2756892978
 C     -0.2508356591     -1.6724935956     -3.0573433073
 C      0.7196957246     -2.1296543315     -2.5342343904
 C      1.8019032984     -2.4243005355     -1.7450010756
 C      2.7121934502     -2.5689936653     -0.9325150449
 C      3.4128637426     -2.3219251851      0.1938838458
 C      3.4872476752     -1.5992779557      1.1611430741
 C      3.0248777310     -0.7870224774      2.1431818144
 C      2.2625300227      0.0006914795      2.6977008448
18
# ORCA AIMD Position Step 982, t=982.00 fs, E_Pot=-685.23353035 Hartree, Unit is Angstrom
 C      1.1383507592      0.6698246847      2.9963263956
 C      0.0975105162      1.2706829003      3.0321782646
 C     -1.0739345958      1.8126803783      2.7116413564
 C     -2.0243399487      2.0859478083      1.9870146763
 C     -2.8326664712      2.2851083907      0.9377127509
 C     -3.1716842864      2.1054206622     -0.2503653651
 C     -3.3349946373      1.5264700719     -1.4538802514
 C     -2.9695417063      0.8044062558     -2.3393071369
 C     -2.1299369190     -0.0608893723     -2.9952277549
 C     -1.3211137846     -0.9161668435     -3.2735267515
 C     -0.2453961864     -1.6649955789     -3.0626456974
 C      0.7187730713     -2.1219128427     -2.5400653153
 C      1.7986870065     -2.4269241382     -1.7418790541
 C      2.7083698031     -2.5711505609     -0.9268927420
 C      3.4140114580     -2.3218519405      0.1956868168
 C      3.4837736817     -1.6036574353      1.1625921930
 C      3.0212228214     -0.7864941996      2.1377645833
 C      2.2632743346     -0.0051360641      2.6967120295
18
# ORCA AIMD Position Step 983, t=983.00 fs, E_Pot=-685.23292062 Hartree, Unit is Angstrom
 C      1.1342255943      0.6674066686      2.9925573201
 C      0.0985688226      1.2581429855      3.0320088185
 C     -1.0742904386      1.8061023871      2.7176924661
 C     -2.0207728682      2.0847907480      1.9888507317
 C     -2.8356065873      2.2824534414      0.9350675637
 C     -3.1641471410      2.1111011552     -0.2498754552
 C     -3.3294778166      1.5304959386     -1.4560111172
 C     -2.9728988597      0.8119189155     -2.3399645177
 C     -2.1326190435     -0.0605664492     -2.9914674744
 C     -1.3207112936     -0.9100868415     -3.2713803081
 C     -0.2407989109     -1.6572563723     -3.0687567538
 C      0.7206311597     -2.1153283252     -2.5444183334
 C      1.7956929094     -2.4298281319     -1.7387779540
 C      2.7034242079     -2.5732039506     -0.9224004307
 C      3.4150392400     -2.3219317020      0.1968285966
 C      3.4803088524     -1.6075765231      1.1653102939
 C      3.0174897141     -0.7856208986      2.1324492133
 C      2.2642564243     -0.0116541584      2.6953984728
18
# ORCA AIMD Position Step 984, t=984.00 fs, E_Pot=-685.23357586 Hartree, Unit is Angstrom
 C      1.1319881854      0.6642909076      2.9890189730
 C      0.0987135128      1.2461253718      3.0320898534
 C     -1.0760236111      1.7998866954      2.7229783907
 C     -2.0165474008      2.0838037343      1.9912917018
 C     -2.8389341373      2.2794083755      0.9305862936
 C     -3.1566236098      2.1170049356     -0.2474427243
 C     -3.3242246128      1.5357613001     -1.4567815208
 C     -2.9749395333      0.8178373288     -2.3425111795
 C     -2.1367416655     -0.0595568593     -2.9875021257
 C     -1.3207536311     -0.9034768927     -3.2692750409
 C     -0.2370937082     -1.6492446207     -3.0756912147
 C      0.7253508428     -2.1099625850     -2.5472191464
 C      1.7928913544     -2.4329712103     -1.7357425259
 C      2.6973608196     -2.5751650442     -0.9190607369
 C      3.4159289171     -2.3222090067      0.1972734073
 C      3.4769185417     -1.6110832466      1.1692242724
 C      3.0138583490     -0.7845575919      2.1271964419
 C      2.2651189777     -0.0185426438      2.6939441743
18
# ORCA AIMD Position Step 985, t=985.00 fs, E_Pot=-685.23499973 Hartree, Unit is Angstrom
 C      1.1321608969      0.6601727912      2.9856882313
 C      0.0974714884      1.2349210243      3.0324423919
 C     -1.0790729316      1.7940220581      2.7274869434
 C     -2.0119070631      2.0830180611      1.9941151228
 C     -2.8422252231      2.2760622854      0.9251489257
 C     -3.1493479156      2.1229722246     -0.2437726502
 C     -3.3192556316      1.5423425730     -1.4560954517
 C     -2.9756830922      0.8221483816     -2.3469235730
 C     -2.1422644713     -0.0578725879     -2.9833910540
 C     -1.3212017415     -0.8963868419     -3.2672293366
 C     -0.2340256209     -1.6410865432     -3.0832771744
 C      0.7326039539     -2.1057054870     -2.5486191180
 C      1.7902109034     -2.4363089393     -1.7328773076
 C      2.6903344410     -2.5770464544     -0.9167508372
 C      3.4166456260     -2.3226542150      0.1970646518
 C      3.4736688511     -1.6143203251      1.1741110578
 C      3.0105444962     -0.7834851021      2.1219609519
 C      2.2655135950     -0.0254579655      2.6925548582
18
# ORCA AIMD Position Step 986, t=986.00 fs, E_Pot=-685.23616400 Hartree, Unit is Angstrom
 C      1.1348660794      0.6549770566      2.9825705346
 C      0.0946732766      1.2246569130      3.0330772305
 C     -1.0832143150      1.7884405367      2.7313090681
 C     -2.0072527399      2.0825036201      1.9969661429
 C     -2.8449867098      2.2725326551      0.9198864166
 C     -3.1426026169      2.1288158901     -0.2397909625
 C     -3.3144864349      1.5500670966     -1.4541716522
 C     -2.9753330703      0.8251559766     -2.3528129291
 C     -2.1490437768     -0.0556229617     -2.9792549218
 C     -1.3220106493     -0.8888687311     -3.2652507562
 C     -0.2311105950     -1.6330219785     -3.0911984654
 C      0.7417277931     -2.1022993183     -2.5489611429
 C      1.7875422632     -2.4397986044     -1.7303337676
 C      2.6826320551     -2.5788613725     -0.9152137391
 C      3.4171389415     -2.3231828781      0.1963077326
 C      3.4706232487     -1.6175064842      1.1796267487
 C      3.0077639280     -0.7825775537      2.1167104509
 C      2.2651623011     -0.0320897365      2.6914234941
18
# ORCA AIMD Position Step 987, t=987.00 fs, E_Pot=-685.23629793 Hartree, Unit is Angstrom
 C      1.1397718623      0.6488782078      2.9797079535
 C      0.0905012388      1.2152593531      3.0339902859
 C     -1.0881116839      1.7830392923      2.7346157571
 C     -2.0030688808      2.0823698045      1.9994282091
 C     -2.8467298224      2.2689424918      0.9159922757
 C     -3.1366668272      2.1343574002     -0.2364757565
 C     -3.3097535339      1.5585615092     -1.4514824279
 C     -2.9742419230      0.8274156580     -2.3595241866
 C     -2.1568478397     -0.0530044897     -2.9752555215
 C     -1.3231186549     -0.8809855368     -3.2633345759
 C     -0.2277754433     -1.6253220615     -3.0990741223
 C      0.7518766441     -2.0993967217     -2.5487108737
 C      1.7847573537     -2.4434020014     -1.7282828945
 C      2.6746319950     -2.5806306530     -0.9140965939
 C      3.4173454328     -2.3236839043      0.1951374042
 C      3.4678366695     -1.6209042192      1.1853629387
 C      3.0056930290     -0.7819627593      2.1114439281
 C      2.2639089341     -0.0382226963      2.6906943437
18
# ORCA AIMD Position Step 988, t=988.00 fs, E_Pot=-685.23535164 Hartree, Unit is Angstrom
 C      1.1461675981      0.6422503150      2.9771725050
 C      0.0854235355      1.2064922320      3.0351633769
 C     -1.0933777227      1.7776811531      2.7376303946
 C     -1.9998385514      2.0827218158      2.0010936307
 C     -2.8470606370      2.2653968859      0.9144871722
 C     -3.1317607965      2.1394704865     -0.2346526298
 C     -3.3048681661      1.5673674580     -1.4486404832
 C     -2.9728333238      0.8296202044     -2.3662710573
 C     -2.1653907003     -0.0502738735     -2.9715823510
 C     -1.3244204802     -0.8728152465     -3.2614626296
 C     -0.2235014480     -1.6182129479     -3.1065370821
 C      0.7621780161     -2.0966298502     -2.5483651461
 C      1.7817351912     -2.4470963926     -1.7268908569
 C      2.6667360175     -2.5823721105     -0.9130020302
 C      3.4171978728     -2.3240511816      0.1936861968
 C      3.4653583876     -1.6247759575      1.1909076867
 C      3.0044359770     -0.7817037800      2.1062040026
 C      2.2617512947     -0.0437675829      2.6904354188
18
# ORCA AIMD Position Step 989, t=989.00 fs, E_Pot=-685.23407085 Hartree, Unit is Angstrom
 C      1.1531188267      0.6355857392      2.9750631562
 C      0.0800582749      1.1980309121      3.0365642280
 C     -1.0986481009      1.7722295149      2.7405714879
 C     -1.9979551584      2.0836452827      2.0016419354
 C     -2.8457413951      2.2619646407      0.9159974494
 C     -3.1279953671      2.1441052827     -0.2347864516
 C     -3.2996616829      1.5760327503     -1.4462682784
 C     -2.9715341706      0.8324662291     -2.3722918812
 C     -2.1743658864     -0.0477130645     -2.9684314146
 C     -1.3257607389     -0.8644653725     -3.2596081020
 C     -0.2179339992     -1.6118233802     -3.1132896918
 C      0.7718553460     -2.0936656763     -2.5483881753
 C      1.7783960483     -2.4508747060     -1.7262779868
 C      2.6593102065     -2.5841052496     -0.9115567522
 C      3.4166282360     -2.3242034859      0.1920572830
 C      3.4632278058     -1.6293520082      1.1959013018
 C      3.0040181067     -0.7817864741      2.1010810665
 C      2.2588439481     -0.0487728019      2.6906292170
18
# ORCA AIMD Position Step 990, t=990.00 fs, E_Pot=-685.23322460 Hartree, Unit is Angstrom
 C      1.1596387455      0.6293968728      2.9734931690
 C      0.0750129673      1.1895612602      3.0381515626
 C     -1.1036335025      1.7665652631      2.7436029091
 C     -1.9976353475      2.0851766352      2.0009160022
 C     -2.8427429362      2.2586733140      0.9205962677
 C     -3.1253530460      2.1482915707     -0.2368612899
 C     -3.2940191353      1.5841920766     -1.4448878963
 C     -2.9707091583      0.8365424225     -2.3769688036
 C     -2.1834801124     -0.0455919525     -2.9659847942
 C     -1.3269288216     -0.8560781057     -3.2577394306
 C     -0.2109417471     -1.6061591121     -3.1191330754
 C      0.7803055630     -2.0902485729     -2.5491542844
 C      1.7747332675     -2.4547510229     -1.7264942598
 C      2.6526316047     -2.5858415965     -0.9094723668
 C      3.4155748995     -2.3241021035      0.1903067376
 C      3.4614750084     -1.6347936291      1.2000760544
 C      3.0043958290     -0.7821385089      2.0962017254
 C      2.2554684450     -0.0533984015      2.6911833920
18
# ORCA AIMD Position Step 991, t=991.00 fs, E_Pot=-685.23314417 Hartree, Unit is Angstrom
 C      1.1648441968      0.6241362772      2.9725740084
 C      0.0707624125      1.1808499051      3.0398783201
 C     -1.1081595397      1.7606131851      2.7467935434
 C     -1.9988672302      2.0872875636      1.9989712701
 C     -2.8382471876      2.2555192292      0.9277835708
 C     -3.1236948490      2.1521238385     -0.2403810603
 C     -3.2878966996      1.5916072180     -1.4448496649
 C     -2.9706097063      0.8422364553     -2.3799104348
 C     -2.1924856905     -0.0441234500     -2.9643851879
 C     -1.3276785631     -0.8478282655     -3.2558286024
 C     -0.2026275122     -1.6011109437     -3.1239750057
 C      0.7871378385     -2.0862257795     -2.5509142295
 C      1.7708295380     -2.4587492065     -1.7275043487
 C      2.6468529861     -2.5875843269     -0.9065954014
 C      3.4139900138     -2.3237537532      0.1884455032
 C      3.4601199021     -1.6411753416      1.2032784938
 C      3.0054801080     -0.7826557488      2.0917089987
 C      2.2519781407     -0.0578708292      2.6919556863
18
# ORCA AIMD Position Step 992, t=992.00 fs, E_Pot=-685.23356013 Hartree, Unit is Angstrom
 C      1.1680790463      0.6201324771      2.9723985438
 C      0.0675794326      1.1717801468      3.0416912940
 C     -1.1121822098      1.7543544551      2.7501051869
 C     -2.0013864001      2.0898717787      1.9961002608
 C     -2.8326290982      2.2524887767      0.9365823624
 C     -3.1227903531      2.1557325131     -0.2444961444
 C     -3.2813314838      1.5981992787     -1.4462806378
 C     -2.9713439433      0.8496808540     -2.3809978377
 C     -2.2011854871     -0.0434513980     -2.9637252498
 C     -1.3277651293     -0.8398974276     -3.2538475601
 C     -0.1933120422     -1.5964716002     -3.1278300670
 C      0.7921818997     -2.0815515776     -2.5537886070
 C      1.7668711946     -2.4629013901     -1.7291688257
 C      2.6419736950     -2.5893276982     -0.9029424302
 C      3.4118514326     -2.3232090990      0.1864495729
 C      3.4591707509     -1.6484743155      1.2054752324
 C      3.0071532786     -0.7832284764      2.0877462698
 C      2.2487331869     -0.0624290498      2.6927796125
18
# ORCA AIMD Position Step 993, t=993.00 fs, E_Pot=-685.23386565 Hartree, Unit is Angstrom
 C      1.1690006461      0.6175447943      2.9730232700
 C      0.0654868699      1.1623709685      3.0435388482
 C     -1.1157664738      1.7478176033      2.7534027601
 C     -2.0047103769      2.0927533924      1.9928111556
 C     -2.8263966807      2.2495762605      0.9457417472
 C     -3.1223751997      2.1592493986     -0.2482212165
 C     -3.2744278935      1.6040674876     -1.4490587221
 C     -2.9728572771      0.8587202594     -2.3804086841
 C     -2.2094580100     -0.0436207861     -2.9640277148
 C     -1.3269719717     -0.8324507272     -3.2517719861
 C     -0.1834888241     -1.5919568237     -3.1308120845
 C      0.7955031596     -2.0762918024     -2.5577490823
 C      1.7631021187     -2.4672344964     -1.7312839036
 C      2.6378530792     -2.5910668445     -0.8986884666
 C      3.4091641353     -2.3225481768      0.1842773758
 C      3.4586240874     -1.6565822272      1.2067484031
 C      3.0093049855     -0.7837768126      2.0844198477
 C      2.2460267790     -0.0672663269      2.6935082495
18
# ORCA AIMD Position Step 994, t=994.00 fs, E_Pot=-685.23353936 Hartree, Unit is Angstrom
 C      1.1676095776      0.6163431869      2.9744584328
 C      0.0642810441      1.1527540155      3.0453771370
 C     -1.1190630434      1.7410692108      2.7564892116
 C     -2.0081953104      2.0957069147      1.9897777747
 C     -2.8201322099      2.2467953608      0.9539387356
 C     -3.1221932897      2.1627838906     -0.2506388703
 C     -3.2673436725      1.6094843650     -1.4528189374
 C     -2.9749556934      0.8689488892     -2.3785817187
 C     -2.2172357317     -0.0446042874     -2.9652622742
 C     -1.3251633670     -0.8255929380     -3.2495771768
 C     -0.1737547306     -1.5872382281     -3.1331203240
 C      0.7973776852     -2.0706093808     -2.5626341676
 C      1.7597982353     -2.4717687656     -1.7336029154
 C      2.6342245555     -2.5928023584     -0.8941512345
 C      3.4059702891     -2.3218662658      0.1818934621
 C      3.4584676962     -1.6653262036      1.2072703463
 C      3.0118369117     -0.7842574372      2.0817951775
 C      2.2440370246     -0.0725010430      2.6940308260
18
# ORCA AIMD Position Step 995, t=995.00 fs, E_Pot=-685.23252767 Hartree, Unit is Angstrom
 C      1.1642293716      0.6163205590      2.9766685310
 C      0.0635694016      1.1431469157      3.0471775712
 C     -1.1222619639      1.7341923343      2.7591486589
 C     -2.0111467324      2.0984922449      1.9877370286
 C     -2.8144048263      2.2441785122      0.9599799414
 C     -3.1220380008      2.1664073092     -0.2510521871
 C     -3.2602654606      1.6148666254     -1.4569986948
 C     -2.9773444434      0.8797732204     -2.3761543400
 C     -2.2244871271     -0.0463257309     -2.9673591344
 C     -1.3223029267     -0.8193507081     -3.2472373659
 C     -0.1647375682     -1.5819736612     -3.1350110488
 C      0.7982466894     -2.0647409551     -2.5681771726
 C      1.7572101747     -2.4765100324     -1.7358892597
 C      2.6307496347     -2.5945478080     -0.8897335107
 C      3.4023417097     -2.3212559747      0.1792856747
 C      3.4586836366     -1.6745025988      1.2072687643
 C      3.0146774547     -0.7846703504      2.0798917114
 C      2.2428064534     -0.0781599754      2.6942883026
18
# ORCA AIMD Position Step 996, t=996.00 fs, E_Pot=-685.23136975 Hartree, Unit is Angstrom
 C      1.1594407248      0.6171293071      2.9795793893
 C      0.0628310448      1.1338189039      3.0489323545
 C     -1.1255464107      1.7272679528      2.7611889747
 C     -2.0129451295      2.1008922352      1.9873600194
 C     -2.8096815522      2.2417722809      0.9629669189
 C     -3.1217723608      2.1701473951     -0.2490637565
 C     -3.2533838178      1.6207141986     -1.4609217703
 C     -2.9796840868      0.8905054378     -2.3738617340
 C     -2.2311896330     -0.0486857482     -2.9702320080
 C     -1.3184603001     -0.8136722298     -3.2447266371
 C     -0.1570220537     -1.5758454730     -3.1367582990
 C      0.7986415269     -2.0589648965     -2.5740506829
 C      1.7555198700     -2.4814447739     -1.7379618234
 C      2.6270811132     -2.5963304214     -0.8858579144
 C      3.3983696080     -2.3207986809      0.1764715015
 C      3.4592540349     -1.6839000745      1.2069920904
 C      3.0177860773     -0.7850568626      2.0786873123
 C      2.2422506221     -0.0841820669      2.6942758582
18
# ORCA AIMD Position Step 997, t=997.00 fs, E_Pot=-685.23091632 Hartree, Unit is Angstrom
 C      1.1539845351      0.6183371128      2.9830907877
 C      0.0614910777      1.1250584928      3.0506546545
 C     -1.1290462783      1.7203594823      2.7624779623
 C     -2.0131692209      2.1027468126      1.9891194115
 C     -2.8062439195      2.2396289245      0.9624308365
 C     -3.1213427879      2.1739869652     -0.2446093195
 C     -3.2468668920      1.6275200838     -1.4639184777
 C     -2.9816494799      0.9004736387     -2.3724110758
 C     -2.2373110738     -0.0515838433     -2.9737909200
 C     -1.3137984146     -0.8084416737     -3.2420236001
 C     -0.1510757192     -1.5686021870     -3.1386059079
 C      0.7990923667     -2.0535591833     -2.5799211918
 C      1.7548068995     -2.4865353739     -1.7397304013
 C      2.6229254179     -2.5981918197     -0.8829008054
 C      3.3941545470     -2.3205579559      0.1734963824
 C      3.4601605872     -1.6933140793      1.2066824524
 C      3.0211520637     -0.7854944867      2.0781266206
 C      2.2421906309     -0.0904344452      2.6940347251
18
# ORCA AIMD Position Step 998, t=998.00 fs, E_Pot=-685.23169441 Hartree, Unit is Angstrom
 C      1.1486444402      0.6194929377      2.9870877692
 C      0.0590118148      1.1171378081      3.0523746823
 C     -1.1327984451      1.7135027671      2.7629729381
 C     -2.0116931766      2.1039779000      1.9931778565
 C     -2.8041250952      2.2378005235      0.9584438153
 C     -3.1207855061      2.1778660441     -0.2379795983
 C     -3.2408339350      1.6356564105     -1.4654673880
 C     -2.9829820839      0.9091348195     -2.3723413916
 C     -2.2428038169     -0.0549214817     -2.9779466477
 C     -1.3085557327     -0.8035042940     -3.2391198712
 C     -0.1471754799     -1.5601077643     -3.1407171938
 C      0.8000302082     -2.0487584707     -2.5855028795
 C      1.7550279717     -2.4917153166     -1.7412183577
 C      2.6180988989     -2.6001825279     -0.8811338812
 C      3.3897973674     -2.3205792612      0.1704261312
 C      3.4613825717     -1.7025495542      1.2065554549
 C      3.0247862596     -0.7860875388      2.0781301846
 C      2.2423932870     -0.0967340608      2.6936395902
18
# ORCA AIMD Position Step 999, t=999.00 fs, E_Pot=-685.23334868 Hartree, Unit is Angstrom
 C      1.1441069352      0.6202018060      2.9914546402
 C      0.0550045852      1.1102634024      3.0541318514
 C     -1.1367191326      1.7066977501      2.7627436747
 C     -2.0087313926      2.1046056548      1.9993322573
 C     -2.8030865436      2.2363363130      0.9516752456
 C     -3.1202323289      2.1816900924     -0.2298337865
 C     -3.2353325420      1.6452664870     -1.4653275064
 C     -2.9835297908      0.9161801636     -2.3738973694
 C     -2.2476157763     -0.0585979566     -2.9826097189
 C     -1.3030224717     -0.7986909537     -3.2360263016
 C     -0.1453406361     -1.5503827024     -3.1431346552
 C      0.8016993992     -2.0447116404     -2.5906091782
 C      1.7560148698     -2.4968917365     -1.7425685142
 C      2.6125663943     -2.6023557189     -0.8806771147
 C      3.3853887886     -2.3208895365      0.1673375163
 C      3.4628923177     -1.7114262742      1.2067817802
 C      3.0287090001     -0.7869508672      2.0786066867
 C      2.2426154264     -0.1028784730      2.6931792628
18
# ORCA AIMD Position Step 1000, t=1000.00 fs, E_Pot=-685.23471132 Hartree, Unit is Angstrom
 C      1.1408351481      0.6201814247      2.9960858521
 C      0.0493327770      1.1045220419      3.0559681720
 C     -1.1405999351      1.6998965233      2.7619790988
 C     -2.0048177040      2.1047505497      2.0070344736
 C     -2.8026386345      2.2352819981      0.9433621446
 C     -3.1199094925      2.1853516524     -0.2211594965
 C     -3.2303250413      1.6562112193     -1.4636255979
 C     -2.9832601459      0.9215867898     -2.3769772624
 C     -2.2517179001     -0.0624895937     -2.9876822817
 C     -1.2975050518     -0.7938398494     -3.2327770622
 C     -0.1453042281     -1.5396163018     -3.1457644738
 C      0.8041196090     -2.0414518823     -2.5951819571
 C      1.7574753500     -2.5019527177     -1.7440449211
 C      2.6064557017     -2.6047608999     -0.8814724256
 C      3.3809918975     -2.3214998149      0.1643062640
 C      3.4646603558     -1.7197933067      1.2074777629
 C      3.0329348827     -0.7881947751      2.0794645200
 C      2.2426336575     -0.1086722225      2.6927445241
18
# ORCA AIMD Position Step 1001, t=1001.00 fs, E_Pot=-685.23462584 Hartree, Unit is Angstrom
 C      1.1389780938      0.6193117742      3.0009068361
 C      0.0421568900      1.0998482534      3.0579308834
 C     -1.1441523189      1.6930051979      2.7609628939
 C     -2.0006873114      2.1046154903      2.0155247930
 C     -2.8021500587      2.2346756841      0.9350929855
 C     -3.1201054743      2.1887513146     -0.2131605955
 C     -3.2256987295      1.6681052708     -1.4608134054
 C     -2.9822430351      0.9256059749     -2.3811699651
 C     -2.2551225085     -0.0664551930     -2.9930673111
 C     -1.2922990490     -0.7887998049     -3.2294201438
 C     -0.1465483481     -1.5281360934     -3.1484057844
 C      0.8070988119     -2.0388933904     -2.5992941177
 C      1.7590434001     -2.5067867817     -1.7459921610
 C      2.6000198450     -2.6074411872     -0.8833023944
 C      3.3766421992     -2.3224021685      0.1614079699
 C      3.4666488329     -1.7275546174      1.2086846556
 C      3.0374623508     -0.7898997696      2.0806378829
 C      2.2423009537     -0.1139835085      2.6923956908
18
# ORCA AIMD Position Step 1002, t=1002.00 fs, E_Pot=-685.23294833 Hartree, Unit is Angstrom
 C      1.1383742655      0.6176195610      3.0058724812
 C      0.0339365068      1.0960239686      3.0600666061
 C     -1.1470586116      1.6858983223      2.7600324866
 C     -1.9971504452      2.1044496415      2.0239679499
 C     -2.8009590738      2.2345509696      0.9285451418
 C     -3.1211273702      2.1918232034     -0.2070480897
 C     -3.2212946320      1.6803990326     -1.4575878245
 C     -2.9806107014      0.9286707033     -2.3858720426
 C     -2.2579097280     -0.0703190924     -2.9986633718
 C     -1.2876420179     -0.7834533706     -3.2260187483
 C     -0.1483933228     -1.5163477902     -3.1507895941
 C      0.8102964696     -2.0368579745     -2.6031172064
 C      1.7603177874     -2.5112946743     -1.7488000705
 C      2.5935954742     -2.6104346579     -0.8858351972
 C      3.3723408055     -2.3235758309      0.1587103994
 C      3.4688196651     -1.7346690979      1.2103833757
 C      3.0422616971     -0.7921086398      2.0820953445
 C      2.2415396660     -0.1187427547      2.6921622950
18
# ORCA AIMD Position Step 1003, t=1003.00 fs, E_Pot=-685.23072468 Hartree, Unit is Angstrom
 C      1.1386318725      0.6152413643      3.0109651985
 C      0.0253430780      1.0927213886      3.0624253831
 C     -1.1490550254      1.6784560642      2.7595077344
 C     -1.9949393151      2.1044982400      2.0316167602
 C     -2.7985197162      2.2349325043      0.9251018461
 C     -3.1232235547      2.1945491116     -0.2037525769
 C     -3.2169444848      1.6924923654     -1.4547415842
 C     -2.9785094156      0.9312744090     -2.3904357695
 C     -2.2602250648     -0.0738713337     -3.0043654478
 C     -1.2836951058     -0.7777249212     -3.2226435241
 C     -0.1501225723     -1.5046668709     -3.1526389469
 C      0.8133098726     -2.0351210098     -2.6068720836
 C      1.7609341519     -2.5154000907     -1.7528375437
 C      2.5875320746     -2.6137719526     -0.8886999920
 C      3.3680628440     -2.3249889906      0.1562781572
 C      3.4711341113     -1.7411468884      1.2125018003
 C      3.0472705386     -0.7948190024      2.0838478704
 C      2.2403492084     -0.1229522594      2.6920349742
18
# ORCA AIMD Position Step 1004, t=1004.00 fs, E_Pot=-685.22934152 Hartree, Unit is Angstrom
 C      1.1392531945      0.6123638524      3.0161825819
 C      0.0171432001      1.0895653039      3.0650610639
 C     -1.1500161773      1.6706124382      2.7596113134
 C     -1.9945809603      2.1049489404      2.0379361612
 C     -2.7945160034      2.2358292835      0.9255258163
 C     -3.1265013303      2.1969659383     -0.2036502724
 C     -3.2125013227      1.7038206574     -1.4530397470
 C     -2.9760628540      0.9338592090     -2.3942937270
 C     -2.2622788043     -0.0768574796     -3.0100569529
 C     -1.2805231692     -0.7715976034     -3.2193698113
 C     -0.1510946101     -1.4934622974     -3.1537128478
 C      0.8157575503     -2.0334604776     -2.6107771315
 C      1.7606228746     -2.5190527335     -1.7583868768
 C      2.5821241057     -2.6174697247     -0.8915716668
 C      3.3637660823     -2.3266030097      0.1541802743
 C      3.4735533490     -1.7470283447      1.2149298637
 C      3.0523948979     -0.7979935416      2.0859410766
 C      2.2387907597     -0.1266671626      2.6919730784
18
# ORCA AIMD Position Step 1005, t=1005.00 fs, E_Pot=-685.22940311 Hartree, Unit is Angstrom
 C      1.1397554233      0.6091717533      3.0215197061
 C      0.0100939899      1.0861936444      3.0680272020
 C     -1.1500185784      1.6624042641      2.7604101227
 C     -1.9963071188      2.1058851405      2.0426777049
 C     -2.7889359783      2.2372307658      0.9297742836
 C     -3.1308721906      2.1991616754     -0.2064143500
 C     -3.2078644495      1.7139059850     -1.4531274385
 C     -2.9733536799      0.9367432546     -2.3970347168
 C     -2.2643202091     -0.0789904956     -3.0156062949
 C     -1.2781013377     -0.7651175761     -3.2162781994
 C     -0.1508256029     -1.4830259348     -3.1538394049
 C      0.8173387026     -2.0316973954     -2.6150019544
 C      1.7592632411     -2.5222273585     -1.7655785855
 C      2.5775516589     -2.6215241888     -0.8942429494
 C      3.3594112682     -2.3283729266      0.1524945075
 C      3.4760340056     -1.7523643955      1.2175349044
 C      3.0575065604     -0.8015610561      2.0884437768
 C      2.2369690922     -0.1299738976      2.6919148671
18
# ORCA AIMD Position Step 1006, t=1006.00 fs, E_Pot=-685.23041900 Hartree, Unit is Angstrom
 C      1.1397725103      0.6058043272      3.0269547952
 C      0.0048334470      1.0823144218      3.0713675604
 C     -1.1493476466      1.6539895899      2.7617980981
 C     -2.0000146334      2.1072608724      2.0459090265
 C     -2.7820774731      2.2391086944      0.9370262182
 C     -3.1360526846      2.2012550886     -0.2110904402
 C     -3.2029908054      1.7224038333     -1.4554411350
 C     -2.9704194294      0.9400776068     -2.3984506935
 C     -2.2666038476     -0.0799755906     -3.0208678685
 C     -1.2763233008     -0.7583965389     -3.2134480871
 C     -0.1490586016     -1.4735426117     -3.1529401061
 C      0.8178771440     -2.0297231832     -2.6196420292
 C      1.7569183705     -2.5249246027     -1.7743410830
 C      2.5738476928     -2.6259028836     -0.8966650843
 C      3.3549693037     -2.3302501892      0.1512996691
 C      3.4785259064     -1.7571994161      1.2201769971
 C      3.0624510731     -0.8054262162      2.0914291235
 C      2.2350088229     -0.1329665668      2.6917911736
18
# ORCA AIMD Position Step 1007, t=1007.00 fs, E_Pot=-685.23147785 Hartree, Unit is Angstrom
 C      1.1391466415      0.6023087834      3.0324439627
 C      0.0017509780      1.0777583093      3.0751072045
 C     -1.1484288194      1.6456109839      2.7635294988
 C     -2.0053125303      2.1089099335      2.0479624690
 C     -2.7744537474      2.2414248703      0.9459539086
 C     -3.1416319241      2.2033668335     -0.2163713580
 C     -3.1978999004      1.7291714498     -1.4601258772
 C     -2.9672358341      0.9438028661     -2.3985867621
 C     -2.2693580800     -0.0795346966     -3.0256912409
 C     -1.2750338728     -0.7515800085     -3.2109484795
 C     -0.1458116016     -1.4650492048     -3.1510500854
 C      0.8173934381     -2.0275394339     -2.6246771774
 C      1.7538133417     -2.5271655392     -1.7844160493
 C      2.5708920560     -2.6305411810     -0.8989537409
 C      3.3504092829     -2.3322053486      0.1506369542
 C      3.4809802727     -1.7615522904      1.2227489366
 C      3.0670734713     -0.8094979397      2.0949503981
 C      2.2330131759     -0.1357157250      2.6915509439
18
# ORCA AIMD Position Step 1008, t=1008.00 fs, E_Pot=-685.23181647 Hartree, Unit is Angstrom
 C      1.1378690809      0.5986795043      3.0379451688
 C      0.0010068280      1.0724577965      3.0792543316
 C     -1.1477603931      1.6375495581      2.7652855332
 C     -2.0115578927      2.1105774378      2.0494520005
 C     -2.7667412713      2.2441493853      0.9549446164
 C     -3.1471728867      2.2055928968     -0.2209659529
 C     -3.1926368018      1.7342454128     -1.4670322018
 C     -2.9637802721      0.9477870424     -2.3976226377
 C     -2.2726935823     -0.0775181664     -3.0299845372
 C     -1.2740556959     -0.7448141931     -3.2088205059
 C     -0.1413294999     -1.4574481414     -3.1482909561
 C      0.8159793330     -2.0251874460     -2.6300691464
 C      1.7503501590     -2.5290220641     -1.7953645578
 C      2.5684361692     -2.6353685129     -0.9013639521
 C      3.3457194344     -2.3341835030      0.1505810737
 C      3.4833407546     -1.7654712904      1.2251176841
 C      3.0712163423     -0.8136658333      2.0990671672
 C      2.2311087826     -0.1383182964      2.6911341221
18
# ORCA AIMD Position Step 1009, t=1009.00 fs, E_Pot=-685.23132219 Hartree, Unit is Angstrom
 C      1.1361398590      0.5948143166      3.0434091494
 C      0.0024422051      1.0664847072      3.0837941241
 C     -1.1477673236      1.6300459287      2.7667556798
 C     -2.0180427057      2.1119777395      2.0510677052
 C     -2.7595978306      2.2472637725      0.9624988526
 C     -3.1522887905      2.2079825912     -0.2238538799
 C     -3.1872892971      1.7378899512     -1.4756964996
 C     -2.9599876352      0.9517511409     -2.3959298341
 C     -2.2766072154     -0.0738753997     -3.0336961004
 C     -1.2732625278     -0.7381931940     -3.2070780815
 C     -0.1360740374     -1.4504996985     -3.1448734532
 C      0.8139087903     -2.0228128673     -2.6356858666
 C      1.7469804001     -2.5305779183     -1.8066902369
 C      2.5661696563     -2.6403010405     -0.9042178542
 C      3.3408716196     -2.3361591851      0.1511527618
 C      3.4855615141     -1.7689851072      1.2271999325
 C      3.0747541078     -0.8178510246      2.1038118139
 C      2.2293817617     -0.1408412417      2.6905107914
18
# ORCA AIMD Position Step 1010, t=1010.00 fs, E_Pot=-685.23039231 Hartree, Unit is Angstrom
 C      1.1342906801      0.5905558361      3.0487902532
 C      0.0056489405      1.0600173880      3.0886931680
 C     -1.1487381853      1.6232675103      2.7676939635
 C     -2.0240975218      2.1128401329      2.0534803576
 C     -2.7535951947      2.2507624988      0.9673859269
 C     -3.1566819579      2.2105308746     -0.2244119899
 C     -3.1819715761      1.7405415871     -1.4854115653
 C     -2.9557881717      0.9553575652     -2.3939740191
 C     -2.2809486781     -0.0686925853     -3.0368363914
 C     -1.2726152183     -0.7317381321     -3.2057098388
 C     -0.1306355562     -1.4438730010     -3.1410604557
 C      0.8115543062     -2.0206219459     -2.6413513374
 C      1.7441565358     -2.5319273376     -1.8178971357
 C      2.5637855533     -2.6452546218     -0.9078369078
 C      3.3358259561     -2.3381218308      0.1523408523
 C      3.4876027221     -1.7721190892      1.2289359926
 C      3.0775899338     -0.8219958991      2.1091989065
 C      2.2279034269     -0.1433425315      2.6896699438
18
# ORCA AIMD Position Step 1011, t=1011.00 fs, E_Pot=-685.22970241 Hartree, Unit is Angstrom
 C      1.1327180731      0.5857242200      3.0540480520
 C      0.0100457844      1.0533080173      3.0939033882
 C     -1.1507895464      1.6172914034      2.7679517160
 C     -2.0291990533      2.1129497412      2.0572162696
 C     -2.7491461724      2.2546456280      0.9687747340
 C     -3.1601571912      2.2131833598     -0.2224312585
 C     -3.1768161373      1.7427398424     -1.4953272741
 C     -2.9511275436      0.9582724310     -2.3922386908
 C     -2.2854306488     -0.0621883767     -3.0394757007
 C     -1.2721749483     -0.7253943914     -3.2046858629
 C     -0.1256426473     -1.4372045547     -3.1371308645
 C      0.8093285242     -2.0188493923     -2.6468755060
 C      1.7422743720     -2.5331630862     -1.8285493013
 C      2.5610386040     -2.6501481127     -0.9124755894
 C      3.3305296289     -2.3400747033      0.1540999116
 C      3.4894288139     -1.7748949425      1.2302851626
 C      3.0796587868     -0.8260670327      2.1152219457
 C      2.2267369206     -0.1458726100      2.6886185167
18
# ORCA AIMD Position Step 1012, t=1012.00 fs, E_Pot=-685.22981658 Hartree, Unit is Angstrom
 C      1.1318110879      0.5801535341      3.0591480039
 C      0.0149711215      1.0466442773      3.0993652026
 C     -1.1538568253      1.6121033997      2.7674937809
 C     -2.0330531956      2.1121786978      2.0625476890
 C     -2.7464478291      2.2589091309      0.9663290161
 C     -3.1626226290      2.2158488446     -0.2180881954
 C     -3.1719626179      1.7450397590     -1.5045717292
 C     -2.9459924522      0.9602310741     -2.3911424052
 C     -2.2896633722     -0.0546923857     -3.0417365068
 C     -1.2720846321     -0.7190518263     -3.2039663282
 C     -0.1216679452     -1.4301630611     -3.1333392345
 C      0.8076116751     -2.0177153845     -2.6520884834
 C      1.7416304116     -2.5343656530     -1.8383111211
 C      2.5577918926     -2.6549045018     -0.9182670876
 C      3.3249174961     -2.3420350214      0.1563449629
 C      3.4910045031     -1.7773258584      1.2312251517
 C      3.0809340919     -0.8300601768      2.1218438234
 C      2.2259377461     -0.1484705589      2.6873828963
18
# ORCA AIMD Position Step 1013, t=1013.00 fs, E_Pot=-685.23077101 Hartree, Unit is Angstrom
 C      1.1318772225      0.5737294226      3.0640615523
 C      0.0197798274      1.0403083277      3.1050080692
 C     -1.1576989231      1.6076029628      2.7664046573
 C     -2.0356426240      2.1105089923      2.0694220650
 C     -2.7454467164      2.2635347914      0.9602736275
 C     -3.1640944058      2.2184119860     -0.2119154496
 C     -3.1675406437      1.7479165404     -1.5123750088
 C     -2.9404346649      0.9611106529     -2.3909542562
 C     -2.2932098263     -0.0466091006     -3.0437802025
 C     -1.2725217125     -0.7125824965     -3.2035113584
 C     -0.1191378693     -1.4225145436     -3.1298745709
 C      0.8066741336     -2.0173763502     -2.6568773147
 C      1.7423897445     -2.5355936387     -1.8469782537
 C      2.5540479360     -2.6594504331     -0.9251803464
 C      3.3189147472     -2.3440333153      0.1589474593
 C      3.4922939540     -1.7794114660      1.2317536862
 C      3.0814391134     -0.8340088660      2.1289829280
 C      2.2255444858     -0.1511564739      2.6860132285
18
# ORCA AIMD Position Step 1014, t=1014.00 fs, E_Pot=-685.23190776 Hartree, Unit is Angstrom
 C      1.1330680688      0.5664219144      3.0687705233
 C      0.0239401762      1.0345327537      3.1107553214
 C     -1.1619190383      1.6036104028      2.7648822751
 C     -2.0372245347      2.1080397891      2.0774632724
 C     -2.7458371558      2.2684883314      0.9514030092
 C     -3.1647055858      2.2207460228     -0.2047730854
 C     -3.1636453433      1.7516783883     -1.5181852829
 C     -2.9345898241      0.9609973005     -2.3917207792
 C     -2.2956519433     -0.0383704169     -3.0457919558
 C     -1.2736370380     -0.7058822393     -3.2032912888
 C     -0.1182585950     -1.4141683470     -3.1268271842
 C      0.8066048004     -2.0178752396     -2.6612196151
 C      1.7445690648     -2.5368790999     -1.8544982582
 C      2.5499586088     -2.6637232404     -0.9330046058
 C      3.3124421658     -2.3461102375      0.1617392120
 C      3.4932591093     -1.7811410215      1.2318889221
 C      3.0812579195     -0.8379895554      2.1365080514
 C      2.2255716860     -0.1539279611      2.6845859266
18
# ORCA AIMD Position Step 1015, t=1015.00 fs, E_Pot=-685.23224428 Hartree, Unit is Angstrom
 C      1.1353468161      0.5582921459      3.0732746987
 C      0.0271114481      1.0294613146      3.1165305314
 C     -1.1660129404      1.5998831742      2.7632177787
 C     -2.0382815681      2.1049751477      2.0860385376
 C     -2.7471008126      2.2737286529      0.9410063086
 C     -3.1647046226      2.2227253867     -0.1977926929
 C     -3.1603187410      1.7564196844     -1.5217406391
 C     -2.9286664114      0.9601962190     -2.3932476732
 C     -2.2966657451     -0.0303635913     -3.0479574592
 C     -1.2755075250     -0.6988976758     -3.2032945854
 C     -0.1189855716     -1.4051907664     -3.1241759476
 C      0.8073015164     -2.0191296520     -2.6651858982
 C      1.7480244694     -2.5382210407     -1.8609905349
 C      2.5458138594     -2.6676782784     -0.9413637456
 C      3.3054160799     -2.3483152641      0.1645290855
 C      3.4938592853     -1.7824877737      1.2316730816
 C      3.0805377609     -0.8421351872      2.1442405388
 C      2.2259981404     -0.1567542731      2.6832015437
18
# ORCA AIMD Position Step 1016, t=1016.00 fs, E_Pot=-685.23122474 Hartree, Unit is Angstrom
 C      1.1384692549      0.5494932585      3.0775954452
 C      0.0291817959      1.0251289937      3.1222658516
 C     -1.1694379012      1.5961457531      2.7617462027
 C     -2.0394070642      2.1015803758      2.0944064245
 C     -2.7486015309      2.2792213937      0.9306556290
 C     -3.1644283638      2.2242403286     -0.1922431094
 C     -3.1575413606      1.7620199865     -1.5230787911
 C     -2.9229301910      0.9592054210     -2.3951296317
 C     -2.2960682414     -0.0228774735     -3.0504452759
 C     -1.2780892147     -0.6916529018     -3.2035311276
 C     -0.1210504413     -1.3957850279     -3.1217997983
 C      0.8084786575     -2.0209336998     -2.6689359454
 C      1.7524835660     -2.5395907625     -1.8667264265
 C      2.5420015052     -2.6712959337     -0.9497637243
 C      3.2977564750     -2.3506962590      0.1671321108
 C      3.4940530922     -1.7834273844      1.2311544715
 C      3.0794768627     -0.8466201997      2.1519768629
 C      2.2267746719     -0.1595860324      2.6819773170
18
# ORCA AIMD Position Step 1017, t=1017.00 fs, E_Pot=-685.22931134 Hartree, Unit is Angstrom
 C      1.1420244792      0.5402462562      3.0817748776
 C      0.0302529555      1.0214681170      3.1279052757
 C     -1.1717021522      1.5921360251      2.7607844817
 C     -2.0411795485      2.0981254504      2.1018597384
 C     -2.7497024398      2.2849451214      0.9219301305
 C     -3.1642371701      2.2252089694     -0.1893292667
 C     -3.1552439421      1.7681952434     -1.5224786068
 C     -2.9176619510      0.9586231323     -2.3968430507
 C     -2.2938528102     -0.0160484181     -3.0533806990
 C     -1.2812011011     -0.6842604122     -3.2040350065
 C     -0.1240353693     -1.3862438585     -3.1195115558
 C      0.8097393180     -2.0230023252     -2.6726789499
 C      1.7575869786     -2.5409355974     -1.8720903927
 C      2.5389559465     -2.6745816247     -0.9576578097
 C      3.2893930796     -2.3532930873      0.1693952161
 C      3.4937980223     -1.7839425354      1.2303754942
 C      3.0783017387     -0.8516464080      2.1595068601
 C      2.2278315009     -0.1623633044      2.6810380516
18
# ORCA AIMD Position Step 1018, t=1018.00 fs, E_Pot=-685.22776058 Hartree, Unit is Angstrom
 C      1.1455053182      0.5308098284      3.0858693063
 C      0.0305829023      1.0183349628      3.1334046899
 C     -1.1724572607      1.5876609834      2.7605630010
 C     -2.0440387079      2.0948231156      2.1078482040
 C     -2.7498946988      2.2908838577      0.9160994017
 C     -3.1644193753      2.2255935764     -0.1899283376
 C     -3.1533310739      1.7745721913     -1.5203709191
 C     -2.9131156143      0.9590356319     -2.3978580500
 C     -2.2902011589     -0.0098352641     -3.0568249009
 C     -1.2845240479     -0.6769231994     -3.2048643775
 C     -0.1274628441     -1.3768947219     -3.1171041058
 C      0.8106555989     -2.0250222326     -2.6766271050
 C      1.7629446243     -2.5421876328     -1.8775114589
 C      2.5370934605     -2.6775583959     -0.9645214449
 C      3.2802778152     -2.3561284173      0.1712170127
 C      3.4930507012     -1.7840339508      1.2293591104
 C      3.0772377045     -0.8574170169      2.1666333540
 C      2.2290941247     -0.1650263443      2.6805032197
18
# ORCA AIMD Position Step 1019, t=1019.00 fs, E_Pot=-685.22761864 Hartree, Unit is Angstrom
 C      1.1483887508      0.5214550517      3.0899355984
 C      0.0305087667      1.0155490713      3.1387267494
 C     -1.1715723821      1.5826472312      2.7611689721
 C     -2.0481877456      2.0917784269      2.1120576444
 C     -2.7489087177      2.2970090307      0.9138409756
 C     -3.1650966500      2.2254182763     -0.1943280887
 C     -3.1517037775      1.7807585941     -1.5172568980
 C     -2.9094842279      0.9609113308     -2.3977416564
 C     -2.2854757824     -0.0040209442     -3.0607578208
 C     -1.2876222495     -0.6699277600     -3.2060937079
 C     -0.1308741419     -1.3680592066     -3.1143907678
 C      0.8108457488     -2.0267003262     -2.6809528838
 C      1.7682012995     -2.5432772193     -1.8833763987
 C      2.5367419335     -2.6802527306     -0.9699332080
 C      3.2703997548     -2.3591964456      0.1725603929
 C      3.4917658755     -1.7837274899      1.2281004225
 C      3.0764794629     -0.8641001526      2.1731840155
 C      2.2305005915     -0.1675297930      2.6804775291
18
# ORCA AIMD Position Step 1020, t=1020.00 fs, E_Pot=-685.22891252 Hartree, Unit is Angstrom
 C      1.1502164455      0.5124386557      3.0940159374
 C      0.0303700386      1.0129331473      3.1438337271
 C     -1.1691732387      1.5771700926      2.7625198637
 C     -2.0535400847      2.0889663070      2.1144407781
 C     -2.7467727504      2.3032559174      0.9150926077
 C     -3.1661703277      2.2247861525     -0.2020764344
 C     -3.1502815076      1.7863952792     -1.5136466403
 C     -2.9068736644      0.9645210013     -2.3962377780
 C     -2.2801853058      0.0017543069     -3.0650700996
 C     -1.2899908901     -0.6636176163     -3.2078005169
 C     -0.1338878465     -1.3600233772     -3.1112389409
 C      0.8100374378     -2.0278067063     -2.6857521746
 C      1.7730903531     -2.5441420933     -1.8899438231
 C      2.5380701656     -2.6826794771     -0.9736517414
 C      3.2598102190     -2.3624575739      0.1734575201
 C      3.4899034099     -1.7830784409      1.2265652085
 C      3.0761609266     -0.8717897272      2.1790228146
 C      2.2320105211     -0.1698507286      2.6810380742
18
# ORCA AIMD Position Step 1021, t=1021.00 fs, E_Pot=-685.23067057 Hartree, Unit is Angstrom
 C      1.1506733723      0.5039647386      3.0981310217
 C      0.0304383817      1.0103442948      3.1486891641
 C     -1.1656217756      1.5714397025      2.7643792831
 C     -2.0597385140      2.0862384388      2.1152033202
 C     -2.7437835460      2.3095204453      0.9191093904
 C     -3.1673481170      2.2238817407     -0.2120416922
 C     -3.1490135572      1.7912109252     -1.5100046091
 C     -2.9052835329      0.9698902555     -2.3933184101
 C     -2.2749029856      0.0079291952     -3.0695799053
 C     -1.2911462407     -0.6583293401     -3.2100502346
 C     -0.1362438619     -1.3530017024     -3.1075899095
 C      0.8081173207     -2.0282089413     -2.6910235529
 C      1.7774799720     -2.5447401134     -1.8972857516
 C      2.5410334395     -2.6848371161     -0.9756870582
 C      3.2486245075     -2.3658405988      0.1740072566
 C      3.4874349460     -1.7821723063      1.2246979147
 C      3.0763301990     -0.8804797331      2.1840697172
 C      2.2336128648     -0.1719989445      2.6822255591
18
# ORCA AIMD Position Step 1022, t=1022.00 fs, E_Pot=-685.23180197 Hartree, Unit is Angstrom
 C      1.1496384622      0.4961446456      3.1022781625
 C      0.0308672155      1.0076938820      3.1532651249
 C     -1.1614329252      1.5657455702      2.7664132110
 C     -2.0662424835      2.0833594509      2.1147392228
 C     -2.7404024054      2.3156800781      0.9247213104
 C     -3.1682341563      2.2229508538     -0.2226881425
 C     -3.1478869447      1.7950645707     -1.5066951197
 C     -2.9046042557      0.9768045539     -2.3891908765
 C     -2.2701413889      0.0149322488     -3.0740721246
 C     -1.2907402105     -0.6543047095     -3.2128795939
 C     -0.1378287286     -1.3471072331     -3.1034613518
 C      0.8051534391     -2.0278939759     -2.6966735445
 C      1.7813889616     -2.5450517819     -1.9052857896
 C      2.5453697866     -2.6867099442     -0.9763172058
 C      3.2370017425     -2.3692559905      0.1743655343
 C      3.4843450967     -1.7811162570      1.2224305857
 C      3.0769386993     -0.8900654222      2.1883207859
 C      2.2353277446     -0.1740241403      2.6840422733
18
# ORCA AIMD Position Step 1023, t=1023.00 fs, E_Pot=-685.23175306 Hartree, Unit is Angstrom
 C      1.1471966282      0.4889798215      3.1064359694
 C      0.0316689061      1.0049556542      3.1575443616
 C     -1.1571657881      1.5603924926      2.7682638364
 C     -2.0724449420      2.0800585739      2.1135329867
 C     -2.7371270168      2.3216175102      0.9306509111
 C     -3.1684333224      2.2222626962     -0.2324139698
 C     -3.1469273647      1.7979667839     -1.5039368857
 C     -2.9046387932      0.9848556427     -2.3842625034
 C     -2.2662300999      0.0230857389     -3.0783436828
 C     -1.2886605412     -0.6516150843     -3.2162891838
 C     -0.1386731048     -1.3423427833     -3.0989376857
 C      0.8013908133     -2.0269696155     -2.7025283515
 C      1.7849596066     -2.5450799582     -1.9136818947
 C      2.5506451227     -2.6882742904     -0.9760464915
 C      3.2251188061     -2.3726125499      0.1747165860
 C      3.4806320546     -1.7800259981      1.2197016110
 C      3.0778482756     -0.9003585913      2.1918474801
 C      2.2372009186     -0.1760130257      2.6864601686
18
# ORCA AIMD Position Step 1024, t=1024.00 fs, E_Pot=-685.23064279 Hartree, Unit is Angstrom
 C      1.1436083427      0.4823747178      3.1105673567
 C      0.0327219289      1.0021635256      3.1615192401
 C     -1.1533293938      1.5556478786      2.7696076750
 C     -2.0777739182      2.0760796550      2.1120653542
 C     -2.7343934629      2.3272367047      0.9357620471
 C     -3.1676236894      2.2220699574     -0.2398186721
 C     -3.1461970845      1.8000757990     -1.5017760892
 C     -2.9051373917      0.9935101321     -2.3790797988
 C     -2.2632391251      0.0325340041     -3.0822405511
 C     -1.2850816533     -0.6501246734     -3.2202403449
 C     -0.1389266409     -1.3386183602     -3.0941537396
 C      0.7972221259     -2.0256463103     -2.7083541047
 C      1.7884076698     -2.5448395707     -1.9221343387
 C      2.5563301078     -2.6895070661     -0.9755189716
 C      3.2131500383     -2.3758328930      0.1752443209
 C      3.4763063552     -1.7790097356      1.2164703833
 C      3.0788553425     -0.9111124447      2.1947837878
 C      2.2392901673     -0.1780818697      2.6894314614
18
# ORCA AIMD Position Step 1025, t=1025.00 fs, E_Pot=-685.22912090 Hartree, Unit is Angstrom
 C      1.1392551305      0.4761613763      3.1146242517
 C      0.0338050436      0.9993972810      3.1651870628
 C     -1.1503265287      1.5517135740      2.7701924684
 C     -2.0817612160      2.0712186927      2.1107392509
 C     -2.7325210716      2.3324663794      0.9392144952
 C     -3.1655873849      2.2225760227     -0.2438702990
 C     -3.1457884065      1.8016674194     -1.5000852490
 C     -2.9058345143      1.0021891116     -2.3742537334
 C     -2.2609695395      0.0432168900     -3.0856749551
 C     -1.2804518152     -0.6494949004     -3.2246596277
 C     -0.1388148814     -1.3357816410     -3.0892746287
 C      0.7931388186     -2.0242120113     -2.7138863116
 C      1.7919567446     -2.5443453547     -1.9302979719
 C      2.5618843122     -2.6903887306     -0.9754139143
 C      3.2012572195     -2.3788628619      0.1761066875
 C      3.4713905971     -1.7781592880      1.2127248835
 C      3.0797149399     -0.9220466643      2.1973072267
 C      2.2416561824     -0.1803625553      2.6928980743
18
# ORCA AIMD Position Step 1026, t=1026.00 fs, E_Pot=-685.22798956 Hartree, Unit is Angstrom
 C      1.1345714008      0.4701381073      3.1185548414
 C      0.0346498463      0.9967598952      3.1685466266
 C     -1.1484282728      1.5487155815      2.7698534928
 C     -2.0840852161      2.0653469445      2.1098307268
 C     -2.7316864675      2.3372568522      0.9405325284
 C     -3.1622170617      2.2239118522     -0.2439802621
 C     -3.1458093294      1.8030871789     -1.4985954906
 C     -2.9064850349      1.0103474315     -2.3703737696
 C     -2.2590099632      0.0548922157     -3.0886304612
 C     -1.2754178531     -0.6492368758     -3.2294496933
 C     -0.1385897388     -1.3336547315     -3.0844724079
 C      0.7896687587     -2.0229884979     -2.7188575384
 C      1.7957960470     -2.5436092907     -1.9378739429
 C      2.5668215238     -2.6909070079     -0.9763585402
 C      3.1895756747     -2.3816819979      0.1774042077
 C      3.4659228158     -1.7775405979      1.2084931387
 C      3.0801697564     -0.9328691644      2.1996179512
 C      2.2443510663     -0.1829887908      2.6967995863
18
# ORCA AIMD Position Step 1027, t=1027.00 fs, E_Pot=-685.22794177 Hartree, Unit is Angstrom
 C      1.1299751650      0.4641130665      3.1223069380
 C      0.0349991327      0.9943522529      3.1715929737
 C     -1.1477640594      1.5467009065      2.7685215437
 C     -2.0845924590      2.0584297512      2.1094571557
 C     -2.7319157547      2.3415713830      0.9396335831
 C     -3.1575140142      2.2261252597     -0.2400283867
 C     -3.1463641694      1.8046792712     -1.4969611839
 C     -2.9068966865      1.0175551322     -2.3679183007
 C     -2.2568320428      0.0671839934     -3.0911514147
 C     -1.2707134588     -0.6487937325     -3.2345015323
 C     -0.1384775242     -1.3320746241     -3.0799075166
 C      0.7873029013     -2.0222770211     -2.7230298933
 C      1.8000498297     -2.5426376810     -1.9446406853
 C      2.5707585696     -2.6910585925     -0.9788511702
 C      3.1782101888     -2.3843084020      0.1791553857
 C      3.4599571351     -1.7771891311      1.2038511232
 C      3.0799787126     -0.9432957486      2.2019149455
 C      2.2474080078     -0.1860807033      2.7010810999
18
# ORCA AIMD Position Step 1028, t=1028.00 fs, E_Pot=-685.22918212 Hartree, Unit is Angstrom
 C      1.1258067042      0.4579435056      3.1258318789
 C      0.0346636861      0.9922480068      3.1743138437
 C     -1.1483132710      1.5456356340      2.7662304305
 C     -2.0833149480      2.0505429711      2.1095628686
 C     -2.7330780718      2.3453820621      0.9368501257
 C     -3.1515960663      2.2291752656     -0.2323763838
 C     -3.1475282067      1.8067106704     -1.4948512530
 C     -2.9069574121      1.0235658161     -2.3671695786
 C     -2.2538949295      0.0796446848     -3.0933282067
 C     -1.2670372526     -0.6476304082     -3.2397027768
 C     -0.1386332147     -1.3309291226     -3.0757090992
 C      0.7864184035     -2.0223061361     -2.7262260360
 C      1.8047578893     -2.5414321282     -1.9504734034
 C      2.5734518060     -2.6908483956     -0.9831977767
 C      3.1672347384     -2.3868003893      0.1812761044
 C      3.4535670542     -1.7771055273      1.1989285615
 C      3.0789443714     -0.9530680450      2.2043724989
 C      2.2508270310     -0.1897271843      2.7056971674
18
# ORCA AIMD Position Step 1029, t=1029.00 fs, E_Pot=-685.23119471 Hartree, Unit is Angstrom
 C      1.1222768371      0.4515622559      3.1290901911
 C      0.0335678660      0.9904713982      3.1766903356
 C     -1.1498932864      1.5453995832      2.7631261457
 C     -2.0804814244      2.0418788226      2.1099240019
 C     -2.7348843743      2.3486751871      0.9329362418
 C     -3.1447103671      2.2329364037     -0.2218639946
 C     -3.1493214307      1.8093020953     -1.4920467352
 C     -2.9066520211      1.0283665961     -2.3681490036
 C     -2.2497418319      0.0918320036     -3.0952765475
 C     -1.2649364270     -0.6453197401     -3.2449465995
 C     -0.1391063558     -1.3301813041     -3.0719574313
 C      0.7872078240     -2.0231844261     -2.7283587588
 C      1.8098686094     -2.5399920840     -1.9553618420
 C      2.5748224074     -2.6902884921     -0.9894670791
 C      3.1566879249     -2.3892526743      0.1835761542
 C      3.4468427603     -1.7772569560      1.1939025143
 C      3.0769390144     -0.9619783046      2.2071194723
 C      2.2545622727     -0.1939703998      2.7106177170
18
# ORCA AIMD Position Step 1030, t=1030.00 fs, E_Pot=-685.23296308 Hartree, Unit is Angstrom
 C      1.1194543541      0.4449760016      3.1320555786
 C      0.0317605626      0.9889890938      3.1786986169
 C     -1.1521602677      1.5457861786      2.7594669020
 C     -2.0765054402      2.0327311724      2.1101667996
 C     -2.7369045523      2.3514585653      0.9290297843
 C     -3.1372233386      2.2372161879     -0.2097535829
 C     -3.1517042135      1.8124123971     -1.4884810589
 C     -2.9060589189      1.0321772287     -2.3706177070
 C     -2.2440711673      0.1033854301     -3.0971180577
 C     -1.2647064464     -0.6416143544     -3.2501466089
 C     -0.1398488678     -1.3298646428     -3.0686776307
 C      0.7896498375     -2.0248804408     -2.7294437348
 C      1.8152407973     -2.5383124460     -1.9594225891
 C      2.5749686581     -2.6894011481     -0.9974770458
 C      3.1465630991     -2.3917910938      0.1857693444
 C      3.4398767307     -1.7775734271      1.1889948602
 C      3.0739251467     -0.9699095024      2.2102144589
 C      2.2585080278     -0.1987898108      2.7158444037
18
# ORCA AIMD Position Step 1031, t=1031.00 fs, E_Pot=-685.23363245 Hartree, Unit is Angstrom
 C      1.1172661976      0.4382591377      3.1347176156
 C      0.0294081599      0.9877089352      3.1803151278
 C     -1.1546329745      1.5465157990      2.7556025656
 C     -2.0719401615      2.0234622045      2.1098284551
 C     -2.7386230398      2.3537670392      0.9265064259
 C     -3.1295887378      2.2417877563     -0.1975675190
 C     -3.1545751452      1.8158450026     -1.4842652635
 C     -2.9053285101      1.0354035424     -2.3741240842
 C     -2.2367824348      0.1141006770     -3.0989541201
 C     -1.2663436776     -0.6364845825     -3.2552440964
 C     -0.1407285737     -1.3300724496     -3.0658425764
 C      0.7935094168     -2.0272232097     -2.7295984205
 C      1.8206567680     -2.5363839612     -1.9629027481
 C      2.5741533731     -2.6882209427     -1.0068174554
 C      3.1368139545     -2.3945508043      0.1875228819
 C      3.4327469519     -1.7779708299      1.1844317503
 C      3.0699594120     -0.9768487628      2.2136436516
 C      2.2625000649     -0.2041035841      2.7214209501
18
# ORCA AIMD Position Step 1032, t=1032.00 fs, E_Pot=-685.23318011 Hartree, Unit is Angstrom
 C      1.1155371390      0.4315297561      3.1370802813
 C      0.0267615173      0.9864958420      3.1815190136
 C     -1.1567560517      1.5472718792      2.7519340211
 C     -2.0673994101      2.0144527293      2.1084308233
 C     -2.7395304601      2.3556506816      0.9267457126
 C     -3.1222733333      2.2464316134     -0.1868428348
 C     -3.1577911384      1.8193042046     -1.4796472368
 C     -2.9046442961      1.0385417609     -2.3781087625
 C     -2.2279944354      0.1239700992     -3.1008422988
 C     -1.2695418816     -0.6301245219     -3.2602134330
 C     -0.1415746570     -1.3309259239     -3.0633906822
 C      0.7983876389     -2.0299385691     -2.7290185036
 C      1.8258424742     -2.5341936075     -1.9661564500
 C      2.5727688187     -2.6867972011     -1.0169087864
 C      3.1273731739     -2.3976516922      0.1885155041
 C      3.4255049880     -1.7783686937      1.1804119602
 C      3.0651818664     -0.9828905786      2.2173215926
 C      2.2663193342     -0.2097699504      2.7274353733
18
# ORCA AIMD Position Step 1033, t=1033.00 fs, E_Pot=-685.23244925 Hartree, Unit is Angstrom
 C      1.1140466867      0.4249221761      3.1391563410
 C      0.0241066281      0.9851961100      3.1822919757
 C     -1.1579837088      1.5477463569      2.7488555825
 C     -2.0634486798      2.0060446464      2.1055744492
 C     -2.7392401969      2.3571594591      0.9308166865
 C     -3.1156629368      2.2509747402     -0.1788280785
 C     -3.1611952720      1.8224655157     -1.4749409870
 C     -2.9041822686      1.0420789064     -2.3820152498
 C     -2.2180412429      0.1331897757     -3.1027812743
 C     -1.2737166065     -0.6229404463     -3.2650589311
 C     -0.1422323554     -1.3325368827     -3.0612506056
 C      0.8037925139     -2.0326979418     -2.7279452836
 C      1.8304990094     -2.5317270847     -1.9696018326
 C      2.5712807403     -2.6851923638     -1.0270780521
 C      3.1181767949     -2.4011729390      0.1884892373
 C      3.4181700473     -1.7787129416      1.1770768225
 C      3.0597970468     -0.9882153174      2.2211026888
 C      2.2696981517     -0.2155961311      2.7340151958
18
# ORCA AIMD Position Step 1034, t=1034.00 fs, E_Pot=-685.23237188 Hartree, Unit is Angstrom
 C      1.1125789048      0.4185675071      3.1409635074
 C      0.0217267415      0.9836580919      3.1826224394
 C     -1.1578896999      1.5476972873      2.7466826809
 C     -2.0604875089      1.9984832636      2.1010405924
 C     -2.7376046400      2.3583248454      0.9391520935
 C     -3.1099674833      2.2553202766     -0.1741752774
 C     -3.1646337822      1.8250309045     -1.4704716433
 C     -2.9040757617      1.0464078547     -2.3853794745
 C     -2.2074471857      0.1421400894     -3.1047008736
 C     -1.2780789961     -0.6155064430     -3.2698087585
 C     -0.1425932705     -1.3349810533     -3.0593617016
 C      0.8092011413     -2.0351617664     -2.7266402515
 C      1.8343494501     -2.5289799390     -1.9736507277
 C      2.5701578629     -2.6834774955     -1.0366555259
 C      3.1091916827     -2.4051278626      0.1873026646
 C      3.4107297019     -1.7789980578      1.1744815133
 C      3.0540451740     -0.9930539328      2.2248031582
 C      2.2723473468     -0.2213597466      2.7413070585
18
# ORCA AIMD Position Step 1035, t=1035.00 fs, E_Pot=-685.23314542 Hartree, Unit is Angstrom
 C      1.1109680330      0.4125745728      3.1425220549
 C      0.0198632758      0.9817541587      3.1825071327
 C     -1.1562583204      1.5469935950      2.7455903295
 C     -2.0586491694      1.9918711682      2.0948777522
 C     -2.7347811762      2.3591541143      0.9513546110
 C     -3.1051724820      2.2594591079     -0.1727770313
 C     -3.1679752655      1.8267773663     -1.4665151428
 C     -2.9043915049      1.0517710078     -2.3878921285
 C     -2.1968571485      0.1513179202     -3.1064722879
 C     -1.2817446282     -0.6084887875     -3.2745013545
 C     -0.1426233355     -1.3382748591     -3.0576914344
 C      0.8141205248     -2.0370232867     -2.7253590039
 C      1.8371973348     -2.5259698380     -1.9786256882
 C      2.5697943509     -2.6817235923     -1.0450764164
 C      3.1004347330     -2.4094519917      0.1849595245
 C      3.4031458180     -1.7792765576      1.1725852824
 C      3.0481664445     -0.9976428646      2.2282296475
 C      2.2739904389     -0.2268383354      2.7494459182
18
# ORCA AIMD Position Step 1036, t=1036.00 fs, E_Pot=-685.23417465 Hartree, Unit is Angstrom
 C      1.1091266327      0.4070152371      3.1438552318
 C      0.0186846791      0.9793973324      3.1819517305
 C     -1.1531265543      1.5456334925      2.7455780256
 C     -2.0577503994      1.9861442045      2.0874456430
 C     -2.7312128298      2.3596509537      0.9662494595
 C     -3.1010671206      2.2634505979     -0.1738468201
 C     -3.1711247754      1.8275927970     -1.4632449067
 C     -2.9051201921      1.0582378460     -2.3894275362
 C     -2.1869195682      0.1612341151     -3.1079381563
 C     -1.2838781811     -0.6025366644     -3.2791682818
 C     -0.1423753437     -1.3423618835     -3.0562429611
 C      0.8181383073     -2.0380421067     -2.7243312229
 C      1.8389839338     -2.5227477328     -1.9846829138
 C      2.5704385562     -2.6799916070     -1.0519788231
 C      3.0919744395     -2.4140072107      0.1816127784
 C      3.3953632560     -1.7796536487      1.1712572978
 C      3.0423601597     -1.0021803578      2.2312128565
 C      2.2744065687     -0.2318503322      2.7585264073
18
# ORCA AIMD Position Step 1037, t=1037.00 fs, E_Pot=-685.23472656 Hartree, Unit is Angstrom
 C      1.1070571866      0.4019121785      3.1449915824
 C      0.0182626517      0.9765524879      3.1809703147
 C     -1.1487565434      1.5437276351      2.7464844951
 C     -2.0573168395      1.9810822280      2.0793884911
 C     -2.7275337231      2.3598470019      0.9821618724
 C     -3.0973299251      2.2673847866     -0.1762076560
 C     -3.1740342777      1.8274979613     -1.4606833681
 C     -2.9061820974      1.0657145898     -2.3900467173
 C     -2.1781330623      0.1722849316     -3.1089545071
 C     -1.2838552386     -0.5981446834     -3.2838162268
 C     -0.1419935890     -1.3471118616     -3.0550586166
 C      0.8209671449     -2.0380717541     -2.7237390393
 C      1.8398203721     -2.5194005836     -1.9917678573
 C      2.5721482751     -2.6783205446     -1.0572711443
 C      3.0839178270     -2.4186058403      0.1775330113
 C      3.3873165694     -1.7802690261      1.1703056189
 C      3.0367436753     -1.0067890605      2.2336420242
 C      2.2734743163     -0.2362974057      2.7685760054
18
# ORCA AIMD Position Step 1038, t=1038.00 fs, E_Pot=-685.23449864 Hartree, Unit is Angstrom
 C      1.1048567727      0.3972314201      3.1459653881
 C      0.0185639538      0.9732395030      3.1795837347
 C     -1.1435554208      1.5414567240      2.7480410441
 C     -2.0566843822      1.9763601742      2.0715293490
 C     -2.7244372437      2.3598165776      0.9972895000
 C     -3.0936301105      2.2713494311     -0.1786322185
 C     -3.1767051114      1.8266426711     -1.4586850292
 C     -2.9074349712      1.0739694543     -2.3899805592
 C     -2.1707192421      0.1846419019     -3.1094258415
 C     -1.2813968149     -0.5955313132     -3.2884089360
 C     -0.1417077545     -1.3523276923     -3.0542189377
 C      0.8224802626     -2.0370761634     -2.7236980723
 C      1.8399759307     -2.5160441564     -1.9996276116
 C      2.5747867077     -2.6767228027     -1.0611416561
 C      3.0763907089     -2.4230421020      0.1730610888
 C      3.3789353612     -1.7812667858      1.1695261827
 C      3.0313289921     -1.0114959558      2.2354811347
 C      2.2711948098     -0.2401923347      2.7795426849
18
# ORCA AIMD Position Step 1039, t=1039.00 fs, E_Pot=-685.23372517 Hartree, Unit is Angstrom
 C      1.1026686030      0.3929060818      3.1468206594
 C      0.0194758028      0.9695197914      3.1778161129
 C     -1.1379605283      1.5390153806      2.7499493619
 C     -2.0551425507      1.9716197564      2.0647254995
 C     -2.7225620940      2.3596758940      1.0100088410
 C     -3.0897021216      2.2753974482     -0.1801060065
 C     -3.1791784646      1.8252836197     -1.4569545497
 C     -2.9087109188      1.0827008898     -2.3895570775
 C     -2.1645650421      0.1981894389     -3.1093414982
 C     -1.2766079447     -0.5945968865     -3.2928611102
 C     -0.1417999826     -1.3577735179     -3.0538295930
 C      0.8226953631     -2.0351149033     -2.7242632917
 C      1.8398269656     -2.5128088037     -2.0078681787
 C      2.5780729152     -2.6751879401     -1.0639909930
 C      3.0695177114     -2.4271206110      0.1685568522
 C      3.3701552339     -1.7827769489      1.1687262493
 C      3.0260260549     -1.0162354836      2.2367772461
 C      2.2677008703     -0.2436609786      2.7912961218
18
# ORCA AIMD Position Step 1040, t=1040.00 fs, E_Pot=-685.23298173 Hartree, Unit is Angstrom
 C      1.1006727956      0.3888427747      3.1476091185
 C      0.0208215878      0.9654899783      3.1756968776
 C     -1.1323629432      1.5365734525      2.7519380268
 C     -2.0520803924      1.9665516847      2.0597021383
 C     -2.7223896096      2.3595437293      1.0191170504
 C     -3.0853825271      2.2795423669     -0.1799670727
 C     -3.1815247467      1.8237450158     -1.4550856700
 C     -2.9098280525      1.0915743776     -2.3891604461
 C     -2.1592550459      0.2125349839     -3.1087711621
 C     -1.2699483027     -0.5949330116     -3.2970416591
 C     -0.1425914404     -1.3631848423     -3.0540169237
 C      0.8217867375     -2.0323445899     -2.7254160594
 C      1.8397797223     -2.5098184783     -2.0160384511
 C      2.5816419899     -2.6736909313     -1.0663458651
 C      3.0634085419     -2.4306837158      0.1643430190
 C      3.3609257742     -1.7848847388      1.1677787138
 C      3.0206602206     -1.0208646876      2.2376421002
 C      2.2632389078     -0.2469296620      2.8036332049
18
# ORCA AIMD Position Step 1041, t=1041.00 fs, E_Pot=-685.23283603 Hartree, Unit is Angstrom
 C      1.0990368118      0.3849507790      3.1483913167
 C      0.0224081052      0.9612592903      3.1732631280
 C     -1.1270527645      1.5342515038      2.7538044701
 C     -2.0471160795      1.9609678138      2.0569080367
 C     -2.7241678860      2.3595006937      1.0239704037
 C     -3.0806202801      2.2837560172     -0.1779379619
 C     -3.1838205814      1.8223595913     -1.4526471245
 C     -2.9106200113      1.1002840793     -2.3891495330
 C     -2.1541828246      0.2270922280     -3.1078505966
 C     -1.2621192508     -0.5959171803     -3.3007950954
 C     -0.1443925927     -1.3683026433     -3.0549089082
 C      0.8200445510     -2.0289899352     -2.7270782601
 C      1.8401959739     -2.5071727406     -2.0237133584
 C      2.5851188167     -2.6722028413     -1.0687521297
 C      3.0581477847     -2.4336246811      0.1606699264
 C      3.3512182697     -1.7876201106      1.1666369444
 C      3.0150092648     -1.0251945811      2.2382296008
 C      2.2581434124     -0.2502943042      2.8162952833
18
# ORCA AIMD Position Step 1042, t=1042.00 fs, E_Pot=-685.23351178 Hartree, Unit is Angstrom
 C      1.0978746573      0.3811672758      3.1492355393
 C      0.0240704448      0.9569284011      3.1705641852
 C     -1.1221976524      1.5321103674      2.7554354840
 C     -2.0401812090      1.9548486399      2.0564267612
 C     -2.7278659938      2.3595540814      1.0245474265
 C     -3.0754736322      2.2879753364     -0.1741061215
 C     -3.1861253104      1.8214033250     -1.4492799193
 C     -2.9109581974      1.1086090055     -2.3897830216
 C     -2.1486876291      0.2411932415     -3.1067500260
 C     -1.2539313253     -0.5968322078     -3.3039686303
 C     -0.1474471797     -1.3729123616     -3.0566150024
 C      0.8178213604     -2.0253051106     -2.7291326605
 C      1.8413375693     -2.5049337565     -2.0305561760
 C      2.5881777011     -2.6706996506     -1.0716835849
 C      3.0537888312     -2.4358938161      0.1576893462
 C      3.3410311958     -1.7909543359      1.1653406321
 C      3.0088441330     -1.0290247013      2.2387081850
 C      2.2528042365     -0.2540826153      2.8289887165
18
# ORCA AIMD Position Step 1043, t=1043.00 fs, E_Pot=-685.23470377 Hartree, Unit is Angstrom
 C      1.0972156178      0.3774746333      3.1502166236
 C      0.0257075739      0.9525702969      3.1676629369
 C     -1.1178399000      1.5301523500      2.7568116023
 C     -2.0315363007      1.9483488297      2.0579702367
 C     -2.7331705943      2.3596336149      1.0214421367
 C     -3.0701021324      2.2921131080     -0.1688898534
 C     -3.1884611804      1.8210407060     -1.4447913474
 C     -2.9107725323      1.1164511130     -2.3911578937
 C     -2.1421740536      0.2541993815     -3.1056470960
 C     -1.2461841773     -0.5969767268     -3.3064373134
 C     -0.1518698601     -1.3768838183     -3.0591998648
 C      0.8154594225     -2.0215288066     -2.7314534049
 C      1.8433364664     -2.5031209683     -2.0363571891
 C      2.5905871423     -2.6691673510     -1.0754738050
 C      3.0503477795     -2.4374987214      0.1554411762
 C      3.3303916579     -1.7948052126      1.1640045444
 C      3.0019674699     -1.0321797246      2.2392353883
 C      2.2476268647     -0.2586124993      2.8414144550
18
# ORCA AIMD Position Step 1044, t=1044.00 fs, E_Pot=-685.23575764 Hartree, Unit is Angstrom
 C      1.0970100734      0.3738970347      3.1514110814
 C      0.0272911007      0.9482239272      3.1646355980
 C     -1.1138956066      1.5283226669      2.7580083905
 C     -2.0217314933      1.9417713068      2.0609451652
 C     -2.7395358021      2.3596082822      1.0157716436
 C     -3.0647530594      2.2960717669     -0.1629980230
 C     -3.1908021827      1.8212993704     -1.4391949759
 C     -2.9100508068      1.1238405678     -2.3931971524
 C     -2.1341974874      0.2655958695     -3.1046934682
 C     -1.2395716175     -0.5957473337     -3.3081209363
 C     -0.1576155319     -1.3801938753     -3.0626715852
 C      0.8132347844     -2.0178504504     -2.7339261615
 C      1.8461796417     -2.5017084727     -2.0410608597
 C      2.5922383752     -2.6676037261     -1.0802724914
 C      3.0477994886     -2.4385026273      0.1538449929
 C      3.3193480715     -1.7990437480      1.1628106583
 C      2.9942457645     -1.0345445990      2.2399289695
 C      2.2429823496     -0.2641527344      2.8533052090
18
# ORCA AIMD Position Step 1045, t=1045.00 fs, E_Pot=-685.23612512 Hartree, Unit is Angstrom
 C      1.0971531997      0.3704866130      3.1528926380
 C      0.0288584615      0.9438943650      3.1615660017
 C     -1.1101811870      1.5265226915      2.7591787724
 C     -2.0115004222      1.9355048007      2.0645827290
 C     -2.7462778745      2.3593231804      1.0090101489
 C     -3.0597362602      2.2997573351     -0.1573559107
 C     -3.1930759635      1.8220724731     -1.4327152686
 C     -2.9088221099      1.1309147802     -2.3956728411
 C     -2.1245233728      0.2750684065     -3.1039839854
 C     -1.2346074140     -0.5927044950     -3.3089941071
 C     -0.1644732116     -1.3829355654     -3.0669788436
 C      0.8113074027     -2.0143790392     -2.7364735327
 C      1.8497213913     -2.5006300649     -2.0447649276
 C      2.5931552204     -2.6660195199     -1.0860324153
 C      3.0460810340     -2.4390108600      0.1527156861
 C      3.3079576471     -1.8035106670      1.1619858601
 C      2.9856306858     -1.0360927423      2.2408419008
 C      2.2391582704     -0.2708892688      2.8644623357
18
# ORCA AIMD Position Step 1046, t=1046.00 fs, E_Pot=-685.23576391 Hartree, Unit is Angstrom
 C      1.0975290052      0.3672988462      3.1547250140
 C      0.0304915749      0.9395608098      3.1585377998
 C     -1.1064568170      1.5246318443      2.7605186506
 C     -2.0016296973      1.9299523558      2.0680832099
 C     -2.7526863833      2.3586350180      1.0027663089
 C     -3.0553835137      2.3030945434     -0.1529769381
 C     -3.1951751921      1.8231468863     -1.4257533484
 C     -2.9071333170      1.1378720920     -2.3982606555
 C     -2.1131648206      0.2825539642     -3.1035358537
 C     -1.2315690199     -0.5876226320     -3.3090868102
 C     -0.1720870167     -1.3853032272     -3.0720163124
 C      0.8096988054     -2.0111328729     -2.7390660879
 C      1.8537025421     -2.4997876655     -2.0477066991
 C      2.5934861325     -2.6644358552     -1.0925229530
 C      3.0451008316     -2.4391553992      0.1517906336
 C      3.2962783605     -1.8080410261      1.1617670242
 C      2.9761741262     -1.0369018741      2.2419508386
 C      2.2363034986     -0.2788870060      2.8747910394
18
# ORCA AIMD Position Step 1047, t=1047.00 fs, E_Pot=-685.23516665 Hartree, Unit is Angstrom
 C      1.0980539588      0.3643689791      3.1569605718
 C      0.0322831363      0.9351940686      3.1556297934
 C     -1.1024974635      1.5225393697      2.7622160478
 C     -1.9928292916      1.9254669219      2.0707436541
 C     -2.7581366095      2.3574314942      0.9985053567
 C     -3.0519893707      2.3060388038     -0.1507558739
 C     -3.1969799851      1.8242560553     -1.4188155968
 C     -2.9050200189      1.1449101462     -2.4006207641
 C     -2.1003904052      0.2882555492     -3.1032784533
 C     -1.2304644910     -0.5805212389     -3.3084777534
 C     -0.1800251939     -1.3875443839     -3.0776476544
 C      0.8083159709     -2.0080578118     -2.7417177890
 C      1.8577843622     -2.4990627174     -2.0502281753
 C      2.5934753544     -2.6628836280     -1.0993767853
 C      3.0447563119     -2.4390694858      0.1507838623
 C      3.2843600744     -1.8124811794      1.1623734479
 C      2.9660299708     -1.0371603027      2.2431424931
 C      2.2344112944     -0.2880785714      2.8843100163
18
# ORCA AIMD Position Step 1048, t=1048.00 fs, E_Pot=-685.23489983 Hartree, Unit is Angstrom
 C      1.0987157796      0.3616916611      3.1596375261
 C      0.0343083781      0.9307717134      3.1529146107
 C     -1.0981746120      1.5201838410      2.7643897371
 C     -1.9856234010      1.9222999339      2.0720564654
 C     -2.7621797175      2.3556328935      0.9972680293
 C     -3.0497469241      2.3085906095     -0.1512228944
 C     -3.1983770809      1.8251257113     -1.4124479285
 C     -2.9024856034      1.1521731782     -2.4024663507
 C     -2.0867281581      0.2926435430     -3.1030535034
 C     -1.2310149760     -0.5716872764     -3.3072879891
 C     -0.1878502140     -1.3899066140     -3.0837272466
 C      0.8069941506     -2.0050584173     -2.7444689903
 C      1.8615878850     -2.4983292760     -2.0527296952
 C      2.5934221568     -2.6614000844     -1.1061485488
 C      3.0449489954     -2.4388644440      0.1494341699
 C      3.2722439621     -1.8167112805      1.1639684485
 C      2.9554505063     -1.0371577358      2.2442198058
 C      2.2333099862     -0.2982564762      2.8931517673
18
# ORCA AIMD Position Step 1049, t=1049.00 fs, E_Pot=-685.23504061 Hartree, Unit is Angstrom
 C      1.0995853340      0.3592143131      3.1627810816
 C      0.0366054376      0.9262898111      3.1504559412
 C     -1.0935212434      1.5175808917      2.7670397673
 C     -1.9802708434      1.9205681843      2.0717724010
 C     -2.7646013167      2.3531913418      0.9994543091
 C     -3.0487025469      2.3107993330     -0.1543491259
 C     -3.1992800371      1.8255154247     -1.4071690133
 C     -2.8994922347      1.1597197939     -2.4036136325
 C     -2.0729391102      0.2964285062     -3.1026276761
 C     -1.2326639321     -0.5616778621     -3.3056750394
 C     -0.1951840039     -1.3925883977     -3.0901195703
 C      0.8055480132     -2.0020311932     -2.7473693402
 C      1.8647437274     -2.4974680204     -2.0556067947
 C      2.5936265194     -2.6600215737     -1.1123922942
 C      3.0455967189     -2.4386092865      0.1475555750
 C      3.2599652698     -1.8206665053      1.1666216467
 C      2.9447676632     -1.0372596337      2.2449203210
 C      2.2326868350     -0.3090885265      2.9015471489
18
# ORCA AIMD Position Step 1050, t=1050.00 fs, E_Pot=-685.23516834 Hartree, Unit is Angstrom
 C      1.1008048352      0.3568427114      3.1664067178
 C      0.0391646097      0.9217690539      3.1483055093
 C     -1.0887520635      1.5148336125      2.7700282770
 C     -1.9767365365      1.9202408226      2.0699203767
 C     -2.7654323563      2.3500894274      1.0047634105
 C     -3.0487475391      2.3127567583     -0.1595032813
 C     -3.1996425891      1.8252534580     -1.4034042763
 C     -2.8959634281      1.1675127017     -2.4040111165
 C     -2.0599460235      0.3004935775     -3.1017207163
 C     -1.2346341508     -0.5512737501     -3.3038240934
 C     -0.2017565330     -1.3957053422     -3.0967151758
 C      0.8038194596     -1.9988948680     -2.7504597656
 C      1.8669479567     -2.4963814352     -2.0591801144
 C      2.5943303527     -2.6587747661     -1.1177467753
 C      3.0466398718     -2.4383185760      0.1450707323
 C      3.2475567594     -1.8243517216      1.1702829377
 C      2.9343527556     -1.0378633342      2.2449552964
 C      2.2321401165     -0.3201614119      2.9097914772
18
# ORCA AIMD Position Step 1051, t=1051.00 fs, E_Pot=-685.23495504 Hartree, Unit is Angstrom
 C      1.1025536422      0.3544582322      3.1705266622
 C      0.0419286423      0.9172529296      3.1464986865
 C     -1.0842235412      1.5121141176      2.7731022818
 C     -1.9747215760      1.9211558062      2.0667763709
 C     -2.7649121653      2.3463445904      1.0123213423
 C     -3.0496533371      2.3145742699     -0.1656026156
 C     -3.1994669302      1.8242650162     -1.4014215630
 C     -2.8917942398      1.1754270538     -2.4037483907
 C     -2.0487020552      0.3057726069     -3.1000478475
 C     -1.2360514618     -0.5413630068     -3.3019294803
 C     -0.2074304487     -1.3992786388     -3.1034420626
 C      0.8017158441     -1.9956114622     -2.7537610327
 C      1.8680145213     -2.4950037439     -2.0636341560
 C      2.5956658113     -2.6576665318     -1.1220090728
 C      3.0480437044     -2.4379509349      0.1420239987
 C      3.2350457459     -1.8278493998      1.1747733088
 C      2.9245540454     -1.0393336790      2.2440675875
 C      2.2312609678     -0.3310552110      2.9181925499
18
# ORCA AIMD Position Step 1052, t=1052.00 fs, E_Pot=-685.23464702 Hartree, Unit is Angstrom
 C      1.1050033218      0.3519437074      3.1751543201
 C      0.0447993806      0.9128048071      3.1450524137
 C     -1.0803533393      1.5096247273      2.7759485012
 C     -1.9737421362      1.9230586732      2.0627938876
 C     -2.7634148901      2.3420097965      1.0209324822
 C     -3.0511374168      2.3163550683     -0.1713910378
 C     -3.1988040196      1.8225911078     -1.4012790498
 C     -2.8868648955      1.1832729022     -2.4030426412
 C     -2.0400050584      0.3130648319     -3.0973766055
 C     -1.2361345260     -0.5327538742     -3.3001623249
 C     -0.2121981122     -1.4032433696     -3.1102681074
 C      0.7992317764     -1.9921986980     -2.7572661409
 C      1.8679021865     -2.4933068040     -2.0689818410
 C      2.5976270173     -2.6566788574     -1.1251746981
 C      3.0497926086     -2.4374226724      0.1385614027
 C      3.2224616555     -1.8313104201      1.1798008899
 C      2.9156282163     -1.0419324016      2.2420991006
 C      2.2297227153     -0.3414272583      2.9270051933
18
# ORCA AIMD Position Step 1053, t=1053.00 fs, E_Pot=-685.23478845 Hartree, Unit is Angstrom
 C      1.1082685314      0.3492115992      3.1803058401
 C      0.0476517438      0.9085015437      3.1439649552
 C     -1.0775241312      1.5075530025      2.7782584579
 C     -1.9732335088      1.9256518360      2.0585152173
 C     -2.7613720404      2.3371720615      1.0293419456
 C     -3.0529277023      2.3181651740     -0.1757224110
 C     -3.1977471784      1.8203963913     -1.4027957051
 C     -2.8810608966      1.1908241425     -2.4022072811
 C     -2.0343030564      0.3228266552     -3.0935861569
 C     -1.2343993494     -0.5259670863     -3.2986322978
 C     -0.2161580428     -1.4074669619     -3.1171962123
 C      0.7964578293     -1.9887330136     -2.7609369779
 C      1.8667132322     -2.4912998144     -2.0750642802
 C      2.6000697223     -2.6557673230     -1.1274307980
 C      3.0518789603     -2.4366312644      0.1348889109
 C      3.2098464788     -1.8349337480      1.1849940709
 C      2.9076881242     -1.0457583083      2.2390516177
 C      2.2273582363     -0.3510811105      2.9363670525
18
# ORCA AIMD Position Step 1054, t=1054.00 fs, E_Pot=-685.23553550 Hartree, Unit is Angstrom
 C      1.1123636380      0.3462304057      3.1859985050
 C      0.0503516405      0.9044261009      3.1432175749
 C     -1.0760031366      1.5060346406      2.7797851547
 C     -1.9726497096      1.9286409848      2.0544838851
 C     -2.7592056968      2.3319427442      1.0364350124
 C     -3.0548072419      2.3200135708     -0.1777619007
 C     -3.1964205677      1.8179599853     -1.4055539735
 C     -2.8742976071      1.1978567768     -2.4016015002
 C     -2.0315666483      0.3350206997     -3.0887162137
 C     -1.2307962322     -0.5210894143     -3.2973600443
 C     -0.2194809975     -1.4117742054     -3.1242526200
 C      0.7935708095     -1.9853432780     -2.7647065812
 C      1.8646616486     -2.4890221803     -2.0815853685
 C      2.6027455283     -2.6548666947     -1.1291062931
 C      3.0542898647     -2.4354824390      0.1312193310
 C      3.1972655389     -1.8389376233      1.1899472253
 C      2.9006839308     -1.0507210846      2.2351169730
 C      2.2241998072     -0.3599993436      2.9462576732
18
# ORCA AIMD Position Step 1055, t=1055.00 fs, E_Pot=-685.23645702 Hartree, Unit is Angstrom
 C      1.1171751050      0.3430410272      3.1922472998
 C      0.0527784859      0.9006569367      3.1427792266
 C     -1.0758864880      1.5051227814      2.7803814065
 C     -1.9715485561      1.9317789974      2.0511657617
 C     -2.7572739303      2.3264460528      1.0413662970
 C     -3.0566405514      2.3218426187     -0.1770865686
 C     -3.1949628008      1.8156439643     -1.4089515259
 C     -2.8665483643      1.2041966978     -2.4015609545
 C     -2.0312789448      0.3490947520     -3.0829801771
 C     -1.2257142776     -0.5177584658     -3.2962741902
 C     -0.2223732773     -1.4159733592     -3.1314761809
 C      0.7908062758     -1.9821924494     -2.7684872087
 C      1.8620292659     -2.4865308374     -2.0881687599
 C      2.6053496684     -2.6538988178     -1.1305984797
 C      3.0569983384     -2.4339148609      0.1277166253
 C      3.1848067433     -1.8435297269      1.1942740143
 C      2.8944209271     -1.0565602913      2.2306631860
 C      2.2204713177     -0.3683352869      2.9564996252
18
# ORCA AIMD Position Step 1056, t=1056.00 fs, E_Pot=-685.23691842 Hartree, Unit is Angstrom
 C      1.1224592417      0.3397592908      3.1990633180
 C      0.0548477498      0.8972545447      3.1426128752
 C     -1.0770834108      1.5047799946      2.7800180179
 C     -1.9696535055      1.9348973096      2.0488824467
 C     -2.7558254276      2.3207987273      1.0436428419
 C     -3.0583791412      2.3235399068     -0.1736976226
 C     -3.1935064462      1.8138351907     -1.4123043862
 C     -2.8578710243      1.2097754741     -2.4023190947
 C     -2.0325545144      0.3641070136     -3.0767393919
 C     -1.2198530939     -0.5152847930     -3.2952364045
 C     -0.2250392766     -1.4198836567     -3.1389061026
 C      0.7884149344     -1.9794506903     -2.7721877685
 C      1.8591148877     -2.4838891952     -2.0944255713
 C      2.6075776383     -2.6527822528     -1.1322976325
 C      3.0599576430     -2.4319173437      0.1244524929
 C      3.1725724106     -1.8488776275      1.1976595688
 C      2.8886087365     -1.0629065888      2.2261738182
 C      2.2165346637     -0.3763700449      2.9668034425
18
# ORCA AIMD Position Step 1057, t=1057.00 fs, E_Pot=-685.23660214 Hartree, Unit is Angstrom
 C      1.1278665685      0.3365636561      3.2064541774
 C      0.0565275651      0.8942506215      3.1426834518
 C     -1.0793345682      1.5048857309      2.7787798874
 C     -1.9668879687      1.9379249371      2.0477680100
 C     -2.7549675746      2.3150915648      1.0431636607
 C     -3.0600563028      2.3249599966     -0.1679710708
 C     -3.1921548610      1.8128772498     -1.4149760516
 C     -2.8484278367      1.2146777193     -2.4039323487
 C     -2.0343289517      0.3789301424     -3.0704496016
 C     -1.2140261585     -0.5128500426     -3.2940837235
 C     -0.2276430749     -1.4233598695     -3.1465718248
 C      0.7866103164     -1.9772634703     -2.7757343945
 C      1.8561900358     -2.4811571455     -2.1000088981
 C      2.6091719035     -2.6514413676     -1.1345270951
 C      3.0631017503     -2.4295350980      0.1213842082
 C      3.1606664214     -1.8550886917      1.1998994345
 C      2.8829279356     -1.0693642950      2.2221617215
 C      2.2128099626     -0.3844452041      2.9768349096
18
# ORCA AIMD Position Step 1058, t=1058.00 fs, E_Pot=-685.23564251 Hartree, Unit is Angstrom
 C      1.1329819188      0.3336704213      3.2144220625
 C      0.0578503227      0.8916429841      3.1429642033
 C     -1.0822544984      1.5052592306      2.7768475248
 C     -1.9633701509      1.9408862773      2.0477638739
 C     -2.7546584834      2.3093763667      1.0402134273
 C     -3.0617779351      2.3259496817     -0.1605801775
 C     -3.1909619735      1.8130132337     -1.4164908543
 C     -2.8384951618      1.2191688356     -2.4062343401
 C     -2.0355362530      0.3924390503     -3.0646052695
 C     -1.2089798085     -0.5096913178     -3.2926678998
 C     -0.2302772523     -1.4263096469     -3.1544800091
 C      0.7855155924     -1.9757223330     -2.7790940423
 C      1.8534778762     -2.4783851516     -2.1046468776
 C      2.6099520688     -2.6498123612     -1.1375083387
 C      3.0663502386     -2.4268587029      0.1183634357
 C      3.1491790439     -1.8622007345      1.2009161364
 C      2.8770877756     -1.0755872774      2.2190867295
 C      2.2096952559     -0.3928955502      2.9862793005
18
# ORCA AIMD Position Step 1059, t=1059.00 fs, E_Pot=-685.23451333 Hartree, Unit is Angstrom
 C      1.1373957373      0.3312963312      3.2229622028
 C      0.0588858049      0.8894058552      3.1434422206
 C     -1.0853748821      1.5056795966      2.7744731392
 C     -1.9593909798      1.9438876266      2.0486388828
 C     -2.7547106009      2.3036705362      1.0354210936
 C     -3.0637130037      2.3263723740     -0.1524112224
 C     -3.1899216752      1.8143563766     -1.4165989792
 C     -2.8284398634      1.2236595643     -2.4088508227
 C     -2.0352575657      0.4036707753     -3.0596762496
 C     -1.2052704008     -0.5052364292     -3.2908787202
 C     -0.2329509671     -1.4286897393     -3.1626066188
 C      0.7851400313     -1.9748528420     -2.7822835804
 C      1.8511364792     -2.4756122582     -2.1081644500
 C      2.6098232930     -2.6478463163     -1.1413413996
 C      3.0696151729     -2.4240157004      0.1151503763
 C      3.1381761145     -1.8701725437      1.2007676444
 C      2.8708842309     -1.0813457472      2.2172765805
 C      2.2074940344     -0.4019837890      2.9948982025
18
# ORCA AIMD Position Step 1060, t=1060.00 fs, E_Pot=-685.23381296 Hartree, Unit is Angstrom
 C      1.1407551333      0.3296234357      3.2320575241
 C      0.0597424712      0.8874924119      3.1441171714
 C     -1.0882129868      1.5059190477      2.7719416365
 C     -1.9553367724      1.9470806988      2.0500585583
 C     -2.7548402565      2.2979662060      1.0296629702
 C     -3.0660722426      2.3261270662     -0.1444592409
 C     -3.1889714231      1.8168845050     -1.4152970412
 C     -2.8186791657      1.2286537898     -2.4112556756
 C     -2.0328155776      0.4119199134     -3.0560538876
 C     -1.2031996357     -0.4991730464     -3.2886630319
 C     -0.2355802839     -1.4305089854     -3.1708901413
 C      0.7853481112     -1.9745987193     -2.7853791414
 C      1.8492625952     -2.4728689105     -2.1104815496
 C      2.6087778372     -2.6455157912     -1.1460223246
 C      3.0728104317     -2.4211473489      0.1114700654
 C      3.1277030312     -1.8788933508      1.1996218084
 C      2.8642150446     -1.0865518462      2.2168970880
 C      2.2063641241     -0.4118519354      3.0025580948
18
# ORCA AIMD Position Step 1061, t=1061.00 fs, E_Pot=-685.23405025 Hartree, Unit is Angstrom
 C      1.1428217184      0.3287631796      3.2416718609
 C      0.0605388856      0.8858487076      3.1450004728
 C     -1.0903309069      1.5057721539      2.7695285305
 C     -1.9516123362      1.9506231005      2.0516588861
 C     -2.7547182822      2.2922477062      1.0239321264
 C     -3.0690827730      2.3251625096     -0.1377072038
 C     -3.1880087703      1.8204624794     -1.4127962411
 C     -2.8096048316      1.2346390740     -2.4128847819
 C     -2.0278639468      0.4168318300     -3.0539878194
 C     -1.2027899849     -0.4914862190     -3.2860327134
 C     -0.2380024914     -1.4318138380     -3.1792325447
 C      0.7858741389     -1.9748281548     -2.7885082103
 C      1.8478836084     -2.4701790931     -2.1116183493
 C      2.6068944283     -2.6428209506     -1.1514500092
 C      3.0758577941     -2.4183897969      0.1070624872
 C      3.1177872841     -1.8881930515      1.1977268294
 C      2.8570966347     -1.0912729780      2.2179279305
 C      2.2062860358     -0.4224842228      3.0092509406
18
# ORCA AIMD Position Step 1062, t=1062.00 fs, E_Pot=-685.23527985 Hartree, Unit is Angstrom
 C      1.1435288553      0.3287231746      3.2517466778
 C      0.0613621628      0.8844348860      3.1461086347
 C     -1.0913846288      1.5050829518      2.7674630624
 C     -1.9485643013      1.9546371713      2.0531221817
 C     -2.7540373335      2.2865080060      1.0191646536
 C     -3.0729501892      2.3234794468     -0.1329856435
 C     -3.1869143870      1.8248858824     -1.4094471939
 C     -2.8014951976      1.2419607424     -2.4132741894
 C     -2.0204719165      0.4184920032     -3.0535240628
 C     -1.2037686537     -0.4824833177     -3.2830691748
 C     -0.2400203295     -1.4326615002     -3.1875091954
 C      0.7863841365     -1.9753694699     -2.7918197447
 C      1.8469451399     -2.4675504600     -2.1117049025
 C      2.6043299900     -2.6397845770     -1.1574263743
 C      3.0786927533     -2.4158656533      0.1017090597
 C      3.1084430299     -1.8978572653      1.1953769747
 C      2.8496697939     -1.0957275740      2.2201614983
 C      2.2070400259     -0.4336847280      3.0151034253
18
# ORCA AIMD Position Step 1063, t=1063.00 fs, E_Pot=-685.23695188 Hartree, Unit is Angstrom
 C      1.1429846392      0.3294021854      3.2622033638
 C      0.0622538057      0.8832310375      3.1474582683
 C     -1.0911842417      1.5037754223      2.7658797911
 C     -1.9463978375      1.9591726932      2.0542525061
 C     -2.7525854441      2.2807596898      1.0160388208
 C     -3.0778081935      2.3211293151     -0.1307889121
 C     -3.1855783211      1.8299180628     -1.4056787770
 C     -2.7944616608      1.2507516621     -2.4121515252
 C     -2.0111552551      0.4174654244     -3.0544813234
 C     -1.2055725691     -0.4727929499     -3.2799281106
 C     -0.2414341657     -1.4331077989     -3.1955828310
 C      0.7865243551     -1.9760331216     -2.7954650448
 C      1.8463042417     -2.4649739776     -2.1109839902
 C      2.6013165653     -2.6364566671     -1.1636730671
 C      3.0812658569     -2.4136587585      0.0952918871
 C      3.0996738717     -1.9076617200      1.1928546258
 C      2.8421743866     -1.1002536683      2.2232315460
 C      2.2082411108     -0.4450961602      3.0203649456
18
# ORCA AIMD Position Step 1064, t=1064.00 fs, E_Pot=-685.23806672 Hartree, Unit is Angstrom
 C      1.1414574850      0.3305989128      3.2729545259
 C      0.0631956531      0.8822483386      3.1490625826
 C     -1.0897168053      1.5018652700      2.7647970549
 C     -1.9451309065      1.9641882101      2.0550162819
 C     -2.7503023598      2.2750390047      1.0148176293
 C     -3.0836807531      2.3182060402     -0.1311471520
 C     -3.1839249076      1.8353325159     -1.4019203502
 C     -2.7884276947      1.2609081862     -2.4094896805
 C     -2.0008376829      0.4147675700     -3.0564678150
 C     -1.2073823532     -0.4633249154     -3.2768329651
 C     -0.2420883497     -1.4331881652     -3.2033286462
 C      0.7859950076     -1.9766518339     -2.7995648344
 C      1.8457296413     -2.4624173943     -2.1098012635
 C      2.5981422457     -2.6329070530     -1.1698564300
 C      3.0835473219     -2.4118028519      0.0878133715
 C      3.0914720731     -1.9174048313      1.1903822977
 C      2.8349055087     -1.1052612111      2.2266708159
 C      2.2093925120     -0.4562585342      3.0253757982
18
# ORCA AIMD Position Step 1065, t=1065.00 fs, E_Pot=-685.23794380 Hartree, Unit is Angstrom
 C      1.1393284011      0.3320429178      3.2839189108
 C      0.0641146039      0.8815243384      3.1509301098
 C     -1.0871365103      1.4994569295      2.7641186879
 C     -1.9445938031      1.9695555418      2.0555461935
 C     -2.7472969917      2.2694046497      1.0153018703
 C     -3.0904717043      2.3148292336     -0.1336018372
 C     -3.1819276388      1.8409494985     -1.3985407134
 C     -2.7831590540      1.2721277455     -2.4054980306
 C     -1.9907089886      0.4117236785     -3.0589560330
 C     -1.2082227160     -0.4551620139     -3.2740500112
 C     -0.2419017178     -1.4329053406     -3.2106559830
 C      0.7846088153     -1.9771132588     -2.8041873053
 C      1.8449194867     -2.4598261760     -2.1085725361
 C      2.5951163538     -2.6292162563     -1.1756324457
 C      3.0855272737     -2.4102794930      0.0794007185
 C      3.0838215491     -1.9269379362      1.1880873318
 C      2.8281524426     -1.1111612494      2.2299985362
 C      2.2099735619     -0.4666927776      3.0305041096
18
# ORCA AIMD Position Step 1066, t=1066.00 fs, E_Pot=-685.23690860 Hartree, Unit is Angstrom
 C      1.1370240206      0.3334386541      3.2950296036
 C      0.0649053259      0.8811115918      3.1530666049
 C     -1.0837218325      1.4967210851      2.7636635949
 C     -1.9444720612      1.9750831510      2.0561045642
 C     -2.7438224401      2.2639308717      1.0169147723
 C     -3.0979867126      2.3111317092     -0.1373086346
 C     -3.1796163722      1.8466569085     -1.3958082535
 C     -2.7783241047      1.2839840156     -2.4005707236
 C     -1.9819897253      0.4097175979     -3.0613893640
 C     -1.2071375753     -0.4493669836     -3.2718461246
 C     -0.2408797449     -1.4322297733     -3.2175213168
 C      0.7823195711     -1.9773766731     -2.8093392350
 C      1.8435468908     -2.4571328379     -2.1077267528
 C      2.5925242234     -2.6254643703     -1.1807036311
 C      3.0872148721     -2.4090236967      0.0702958814
 C      3.0767016573     -1.9361797956      1.1859883884
 C      2.8221314281     -1.1182873913      2.2328194918
 C      2.2095366436     -0.4759957155      3.0360626149
18
# ORCA AIMD Position Step 1067, t=1067.00 fs, E_Pot=-685.23613007 Hartree, Unit is Angstrom
 C      1.1349499433      0.3345070375      3.3062343414
 C      0.0654622339      0.8810627933      3.1554800794
 C     -1.0798141250      1.4938642513      2.7632092115
 C     -1.9443847326      1.9805519697      2.0570136530
 C     -2.7402091657      2.2586956286      1.0188828381
 C     -3.1059772409      2.3072475011     -0.1412254229
 C     -3.1770734054      1.8524167194     -1.3938734573
 C     -2.7735568154      1.2959975403     -2.3952179953
 C     -1.9756554047      0.4098822207     -3.0632977850
 C     -1.2034352447     -0.4467189770     -3.2704281732
 C     -0.2391023838     -1.4311125680     -3.2239297151
 C      0.7792347315     -1.9774822939     -2.8149615907
 C      1.8413081812     -2.4542673883     -2.1076460217
 C      2.5905808369     -2.6217201208     -1.1848742137
 C      3.0886343049     -2.4079386807      0.0608300355
 C      3.0700940750     -1.9451075059      1.1840125384
 C      2.8169329941     -1.1268308469      2.2349065583
 C      2.2077866285     -0.4839166053      3.0422255459
18
# ORCA AIMD Position Step 1068, t=1068.00 fs, E_Pot=-685.23651751 Hartree, Unit is Angstrom
 C      1.1334300306      0.3350220544      3.3174836495
 C      0.0657153970      0.8814124156      3.1581829436
 C     -1.0757541800      1.4910951893      2.7625405683
 C     -1.9439666152      1.9857503508      2.0585783056
 C     -2.7367943346      2.2537702284      1.0204309218
 C     -3.1141864970      2.3033042433     -0.1443169218
 C     -3.1744257286      1.8582598717     -1.3927609493
 C     -2.7685068481      1.3076898476     -2.3900056992
 C     -1.9721762792      0.4127972459     -3.0643919429
 C     -1.1969275929     -0.4474468051     -3.2698829519
 C     -0.2367122055     -1.4294979290     -3.2299283357
 C      0.7755983028     -1.9775445970     -2.8209368207
 C      1.8379880510     -2.4511781804     -2.1085971958
 C      2.5893883808     -2.6180351132     -1.1880999362
 C      3.0898211210     -2.4069144281      0.0513900677
 C      3.0639902271     -1.9537334038      1.1820327272
 C      2.8124968940     -1.1367957572      2.2362464013
 C      2.2046274344     -0.4903987199      3.0489733596
18
# ORCA AIMD Position Step 1069, t=1069.00 fs, E_Pot=-685.23784200 Hartree, Unit is Angstrom
 C      1.1326634033      0.3348367666      3.3287178847
 C      0.0656616955      0.8821597166      3.1611948294
 C     -1.0718319034      1.4885971517      2.7614886116
 C     -1.9429442255      1.9905051020      2.0610121591
 C     -2.7338517207      2.2492114447      1.0209500877
 C     -3.1223873871      2.2994113023     -0.1457300733
 C     -3.1718260188      1.8642679143     -1.3923837496
 C     -2.7628804334      1.3186271344     -2.3854842570
 C     -1.9714040718      0.4183541006     -3.0646021321
 C     -1.1880445351     -0.4511066694     -3.2701530465
 C     -0.2338856258     -1.4273454004     -3.2355952823
 C      0.7717599839     -1.9777364018     -2.8271009352
 C      1.8335056837     -2.4478457551     -2.1106855192
 C      2.5889108566     -2.6144389491     -1.1905121741
 C      3.0908178878     -2.4058477017      0.0423751771
 C      3.0583942627     -1.9620778931      1.1799133203
 C      2.8086210673     -1.1479951647      2.2370360955
 C      2.2001660418     -0.4955804659      3.0560842613
18
# ORCA AIMD Position Step 1070, t=1070.00 fs, E_Pot=-685.23903064 Hartree, Unit is Angstrom
 C      1.1327024549      0.3338968449      3.3398670569
 C      0.0653818423      0.8832578174      3.1645468049
 C     -1.0682482289      1.4865066578      2.7599546130
 C     -1.9411953639      1.9947083130      2.0643790666
 C     -2.7315310898      2.2450502095      1.0201190289
 C     -3.1304138026      2.2956475835     -0.1449161209
 C     -3.1694263759      1.8705499059     -1.3925790259
 C     -2.7564650186      1.3284629177     -2.3821149082
 C     -1.9726555244      0.4258463304     -3.0640535862
 C     -1.1777490929     -0.4566708778     -3.2710594749
 C     -0.2308005174     -1.4246475349     -3.2410307375
 C      0.7681288167     -1.9782656064     -2.8332672901
 C      1.8279326670     -2.4442880572     -2.1138391696
 C      2.5889750795     -2.6109355342     -1.1924088700
 C      3.0916686309     -2.4046594497      0.0341403473
 C      3.0533153833     -1.9701478224      1.1775593137
 C      2.8050021557     -1.1600996580      2.2376253945
 C      2.1946733481     -0.4997601626      3.0631808886
18
# ORCA AIMD Position Step 1071, t=1071.00 fs, E_Pot=-685.23916672 Hartree, Unit is Angstrom
 C      1.1334492406      0.3322421847      3.3508583069
 C      0.0650351731      0.8846172319      3.1682812146
 C     -1.0650868628      1.4848933736      2.7579238315
 C     -1.9387550634      1.9983295305      2.0685901722
 C     -2.7298446447      2.2412890553      1.0179392719
 C     -3.1381831656      2.2920536293     -0.1416999862
 C     -3.1673487617      1.8772119791     -1.3931534369
 C     -2.7491515600      1.3369929500     -2.3801926825
 C     -1.9749420250      0.4342253869     -3.0630008749
 C     -1.1672779402     -0.4628050385     -3.2723636808
 C     -0.2276009124     -1.4214395727     -3.2463449525
 C      0.7650906177     -1.9793328431     -2.8392678442
 C      1.8214857568     -2.4405608838     -2.1178299493
 C      2.5893027501     -2.6075069713     -1.1942117967
 C      3.0924164411     -2.4033017924      0.0269505513
 C      3.0487592113     -1.9779292852      1.1749495624
 C      2.8012857507     -1.1727090284      2.2384390412
 C      2.1885238412     -0.5033448612      3.0698071930
18
# ORCA AIMD Position Step 1072, t=1072.00 fs, E_Pot=-685.23813028 Hartree, Unit is Angstrom
 C      1.1346952535      0.3299821157      3.3616248527
 C      0.0648310970      0.8861203187      3.1724495790
 C     -1.0623105034      1.4837601438      2.7554614333
 C     -1.9358120635      2.0014130168      2.0734088415
 C     -2.7286581706      2.2379038393      1.0147349454
 C     -3.1457035386      2.2886274940     -0.1362767121
 C     -3.1656595008      1.8843314294     -1.3939425718
 C     -2.7409393613      1.3441694062     -2.3798019370
 C     -1.9772324905      0.4423958760     -3.0617485923
 C     -1.1578625257     -0.4681728129     -3.2738297793
 C     -0.2243739704     -1.4177945737     -3.2516430701
 C      0.7629520554     -1.9811029479     -2.8449807383
 C      1.8144783062     -2.4367461726     -2.1223308296
 C      2.5895719437     -2.6041153182     -1.1963764835
 C      3.0930912199     -2.4017653027      0.0209382738
 C      3.0447202719     -1.9853770142      1.1721550256
 C      2.7971316356     -1.1854424152      2.2398809242
 C      2.1821124862     -0.5067713571      3.0755152616
18
# ORCA AIMD Position Step 1073, t=1073.00 fs, E_Pot=-685.23652410 Hartree, Unit is Angstrom
 C      1.1361561576      0.3272765538      3.3721101422
 C      0.0650054092      0.8876335078      3.1771100912
 C     -1.0597921552      1.4830577760      2.7526888493
 C     -1.9326619831      2.0040590198      2.0784992594
 C     -2.7277204852      2.2348494400      1.0110885699
 C     -3.1530628402      2.2853420847     -0.1291385960
 C     -3.1643558687      1.8919223699     -1.3948734210
 C     -2.7319360898      1.3501049117     -2.3808036073
 C     -1.9786327721      0.4494076790     -3.0605938673
 C     -1.1505323219     -0.4716472623     -3.2752655228
 C     -0.2211315408     -1.4138202366     -3.2570059692
 C      0.7618784233     -1.9836692232     -2.8503594133
 C      1.8072824686     -2.4329456118     -2.1269670769
 C      2.5894684014     -2.6007117556     -1.1993244292
 C      3.0937067994     -2.4000719238      0.0161080525
 C      3.0411808646     -1.9924216675      1.1693249117
 C      2.7922557852     -1.1979876012      2.2422754366
 C      2.1758071604     -0.5104552034      3.0799243528
18
# ORCA AIMD Position Step 1074, t=1074.00 fs, E_Pot=-685.23525010 Hartree, Unit is Angstrom
 C      1.1375392257      0.3242912467      3.3822657428
 C      0.0657738096      0.8890325497      3.1823134515
 C     -1.0573292982      1.4826939078      2.7497745030
 C     -1.9296475552      2.0063968508      2.0834867799
 C     -2.7267171748      2.2320764421      1.0077366742
 C     -3.1604100417      2.2821508737     -0.1209994368
 C     -3.1633670629      1.8999332644     -1.3959663353
 C     -2.7223394644      1.3550376042     -2.3828705395
 C     -1.9784828997      0.4545646236     -3.0597878792
 C     -1.1459951065     -0.4724430776     -3.2765409003
 C     -0.2178338363     -1.4096292233     -3.2624796987
 C      0.7618690364     -1.9870369130     -2.8554427148
 C      1.8002836211     -2.4292729874     -2.1313725225
 C      2.5887454917     -2.5972451380     -1.2033646676
 C      3.0942509265     -2.3982723691      0.0123385308
 C      3.0381143398     -1.9989673420      1.1666763268
 C      2.7864549836     -1.2101338366      2.2458278727
 C      2.1698948261     -0.5147319003      3.0827565559
18
# ORCA AIMD Position Step 1075, t=1075.00 fs, E_Pot=-685.23509436 Hartree, Unit is Angstrom
 C      1.1385766621      0.3211820637      3.3920474853
 C      0.0673087780      0.8902130858      3.1880958611
 C     -1.0547020061      1.4825647165      2.7468953973
 C     -1.9270906879      2.0085506070      2.0880242410
 C     -2.7253284866      2.2295386589      1.0054361524
 C     -3.1679156160      2.2790097774     -0.1126496206
 C     -3.1625634497      1.9082373431     -1.3973466475
 C     -2.7124191001      1.3592920278     -2.3855398920
 C     -1.9763915100      0.4574620577     -3.0595102158
 C     -1.1445897015     -0.4701714732     -3.2775938198
 C     -0.2144047242     -1.4053233518     -3.2680639920
 C      0.7627364332     -1.9911057542     -2.8603587721
 C      1.7938562517     -2.4258511855     -2.1352213212
 C      2.5872487426     -2.5936708288     -1.2086610356
 C      3.0946895598     -2.3964299290      0.0094338209
 C      3.0354877877     -2.0049109010      1.1644443786
 C      2.7796252164     -1.2217738436      2.2506110450
 C      2.1645699770     -0.5198333911      3.0838571864
18
# ORCA AIMD Position Step 1076, t=1076.00 fs, E_Pot=-685.23633734 Hartree, Unit is Angstrom
 C      1.1390734613      0.3180654809      3.4014090550
 C      0.0697097665      0.8911060393      3.1944656898
 C     -1.0517152724      1.4825780814      2.7442126899
 C     -1.9252306254      2.0106085890      2.0918484385
 C     -2.7232997271      2.2272065126      1.0048149060
 C     -3.1757235926      2.2758841889     -0.1048220216
 C     -3.1617780272      1.9166470937     -1.3992057503
 C     -2.7024812487      1.3632172905     -2.3882933058
 C     -1.9722578045      0.4580111422     -3.0598472543
 C     -1.1462677351     -0.4648625224     -3.2784304657
 C     -0.2107693089     -1.4009737298     -3.2737130500
 C      0.7641322204     -1.9956771681     -2.8653061474
 C      1.7883311392     -2.4228029939     -2.1382608985
 C      2.5849394643     -2.5899597716     -1.2152039742
 C      3.0949693837     -2.3946094179      0.0071654893
 C      3.0332692358     -2.0101541457      1.1628425296
 C      2.7717700055     -1.2328960680      2.2565599835
 C      2.1599142615     -0.5258603513      3.0832067983
18
# ORCA AIMD Position Step 1077, t=1077.00 fs, E_Pot=-685.23852806 Hartree, Unit is Angstrom
 C      1.1389406006      0.3149985356      3.4103020871
 C      0.0729821737      0.8916890751      3.2013962280
 C     -1.0482390693      1.4826741795      2.7418463586
 C     -1.9241740397      2.0126001034      2.0948270030
 C     -2.7205050233      2.2250725173      1.0062269950
 C     -3.1839027936      2.2727527297     -0.0980534377
 C     -3.1608315107      1.9249417214     -1.4017477844
 C     -2.6928236422      1.3671278692     -2.3906441292
 C     -1.9662937909      0.4564668120     -3.0607720713
 C     -1.1505930822     -0.4569677106     -3.2791283076
 C     -0.2068845248     -1.3966071875     -3.2793443159
 C      0.7656041418     -2.0004809043     -2.8705227489
 C      1.7839564784     -2.4202404357     -2.1403465487
 C      2.5819057865     -2.5861033956     -1.2228033227
 C      3.0950220157     -2.3928638770      0.0053187993
 C      3.0314249890     -2.0146222460      1.1620197353
 C      2.7630040816     -1.2435823420      2.2634744089
 C      2.1558876197     -0.5327636413      3.0809309823
18
# ORCA AIMD Position Step 1078, t=1078.00 fs, E_Pot=-685.24051815 Hartree, Unit is Angstrom
 C      1.1382135883      0.3119646792      3.4186847652
 C      0.0770277985      0.8919939858      3.2088267382
 C     -1.0442283209      1.4828384836      2.7398589369
 C     -1.9238687660      2.0144858399      2.0969831777
 C     -2.7169912177      2.2231529469      1.0096568209
 C     -3.1924159023      2.2696020921     -0.0925882957
 C     -3.1595593227      1.9329078636     -1.4051321665
 C     -2.6836875717      1.3712561807     -2.3922124241
 C     -1.9590338873      0.4534477259     -3.0621325166
 C     -1.1567659119     -0.4473345566     -3.2798395780
 C     -0.2027574131     -1.3922022959     -3.2848602366
 C      0.7666812160     -2.0052227848     -2.8762455855
 C      1.7808460453     -2.4182428223     -2.1414788158
 C      2.5783613326     -2.5821148479     -1.2311003622
 C      3.0947721236     -2.3912237070      0.0037286472
 C      3.0299222617     -2.0182806679      1.1620298199
 C      2.7535442482     -1.2540108436      2.2710320482
 C      2.1523214077     -0.5403442438      3.0773013988
18
# ORCA AIMD Position Step 1079, t=1079.00 fs, E_Pot=-685.24103119 Hartree, Unit is Angstrom
 C      1.1370472911      0.3088723606      3.4265302808
 C      0.0816516616      0.8921078636      3.2166717870
 C     -1.0397177603      1.4831007606      2.7382561130
 C     -1.9241115401      2.0161639699      2.0984893756
 C     -2.7129826202      2.2214835845      1.0147152491
 C     -3.2011166571      2.2664199410     -0.0883650373
 C     -3.1578354445      1.9403819545     -1.4094221648
 C     -2.6752222595      1.3757271697     -2.3927735156
 C     -1.9513004632      0.4499053152     -3.0636628144
 C     -1.1636951697     -0.4371277958     -3.2807879859
 C     -0.1984510062     -1.3876909653     -3.2901719007
 C      0.7669657386     -2.0096403070     -2.8826672645
 C      1.7789388363     -2.4168407856     -2.1418272117
 C      2.5746317884     -2.5780260385     -1.2396004508
 C      3.0941440178     -2.3896916395      0.0023002518
 C      3.0287291725     -2.0211431407      1.1628219385
 C      2.7436860595     -1.2644529882      2.2788171090
 C      2.1489306000     -0.5482753723      3.0727168329
18
# ORCA AIMD Position Step 1080, t=1080.00 fs, E_Pot=-685.23953563 Hartree, Unit is Angstrom
 C      1.1356855260      0.3055716902      3.4338304509
 C      0.0865842442      0.8921641409      3.2248314645
 C     -1.0347950380      1.4835217034      2.7369998468
 C     -1.9245877302      2.0174895359      2.0996330602
 C     -2.7088406997      2.2201115501      1.0207283914
 C     -3.2097756655      2.2631924572     -0.0850892692
 C     -3.1555909406      1.9472813098     -1.4145455379
 C     -2.6674761289      1.3805567958     -2.3922744361
 C     -1.9441009897      0.4470110408     -3.0650210366
 C     -1.1701345161     -0.4276839629     -3.2822481040
 C     -0.1940801047     -1.3829720051     -3.2952210551
 C      0.7662058683     -2.0135469323     -2.8899028541
 C      1.7779909814     -2.4160082606     -2.1417271548
 C      2.5711252364     -2.5738825996     -1.2477195564
 C      3.0930683771     -2.3882442751      0.0010145688
 C      3.0278158467     -2.0232702289      1.1642503234
 C      2.7337666586     -1.2752482780      2.2863685729
 C      2.1453513593     -0.5561489290      3.0676571915
18
# ORCA AIMD Position Step 1081, t=1081.00 fs, E_Pot=-685.23689043 Hartree, Unit is Angstrom
 C      1.1344124601      0.3018834621      3.4405939690
 C      0.0915178728      0.8923236066      3.2332026864
 C     -1.0295661385      1.4841739347      2.7360353666
 C     -1.9249323933      2.0183004230      2.1007567557
 C     -2.7050001695      2.2190878697      1.0268835626
 C     -3.2181224128      2.2599004714     -0.0823555412
 C     -3.1528230309      1.9536177307     -1.4202828286
 C     -2.6604057201      1.3856712402     -2.3908143546
 C     -1.9384436363      0.4459535533     -3.0658541231
 C     -1.1748853492     -0.4202941022     -3.2845067166
 C     -0.1897989190     -1.3779229693     -3.2999889787
 C      0.7643335896     -2.0168584838     -2.8979713551
 C      1.7776086521     -2.4156721072     -2.1416390860
 C      2.5682842301     -2.5697352426     -1.2548524756
 C      3.0914857193     -2.3868395841     -0.0000863266
 C      3.0271571854     -2.0247599730      1.1661035183
 C      2.7241185750     -1.2867537445      2.2932429652
 C      2.1411989260     -0.5635420800      3.0626173368
18
# ORCA AIMD Position Step 1082, t=1082.00 fs, E_Pot=-685.23492551 Hartree, Unit is Angstrom
 C      1.1334934204      0.2976355999      3.4468391593
 C      0.0961497362      0.8927518511      3.2416914034
 C     -1.0241229171      1.4851230844      2.7353157774
 C     -1.9247943702      2.0184459178      2.1021901369
 C     -2.7018908159      2.2184579908      1.0323836308
 C     -3.2258879344      2.2565217715     -0.0797716559
 C     -3.1495987312      1.9594937825     -1.4262730799
 C     -2.6539041104      1.3909369432     -2.3886064738
 C     -1.9350900554      0.4476530164     -3.0658888749
 C     -1.1770526958     -0.4159225645     -3.2877968393
 C     -0.1857824023     -1.3724175316     -3.3044985881
 C      0.7614642662     -2.0195954329     -2.9067962739
 C      1.7773281476     -2.4157330873     -2.1420664097
 C      2.5665174107     -2.5656263298     -1.2604530140
 C      3.0893466413     -2.3854248617     -0.0009211564
 C      3.0267322406     -2.0257330770      1.1681380946
 C      2.7150176905     -1.2992770414      2.2990851382
 C      2.1361440873     -0.5701012604      3.0580272613
18
# ORCA AIMD Position Step 1083, t=1083.00 fs, E_Pot=-685.23497458 Hartree, Unit is Angstrom
 C      1.1331192383      0.2927068624      3.4525809078
 C      0.1002249322      0.8935906614      3.2502119430
 C     -1.0185247206      1.4864103437      2.7348202393
 C     -1.9239016809      2.0178144774      2.1041851484
 C     -2.6998684203      2.2182492830      1.0365750178
 C     -3.2328334874      2.2530391454     -0.0770535319
 C     -3.1460510171      1.9650804388     -1.4320339000
 C     -2.6478377961      1.3961932873     -2.3859352962
 C     -1.9343229607      0.4524774116     -3.0650157116
 C     -1.1762761053     -0.4149408023     -3.2922210697
 C     -0.1822064297     -1.3663564446     -3.3088059631
 C      0.7578596409     -2.0218635827     -2.9162226488
 C      1.7767208297     -2.4160863798     -2.1434524247
 C      2.5661225839     -2.5615869629     -1.2641160946
 C      3.0866234236     -2.3839498076     -0.0013882353
 C      3.0265264402     -2.0263200800      1.1701052695
 C      2.7066415630     -1.3129926047      2.3036891022
 C      2.1299829505     -0.5756084871      3.0541827551
18
# ORCA AIMD Position Step 1084, t=1084.00 fs, E_Pot=-685.23681917 Hartree, Unit is Angstrom
 C      1.1333574586      0.2870680525      3.4578202641
 C      0.1035735590      0.8949296481      3.2586839374
 C     -1.0127932976      1.4880418307      2.7345659081
 C     -1.9221110549      2.0163529997      2.1068581147
 C     -2.6991598897      2.2184651137      1.0390404723
 C     -3.2387671269      2.2494465376     -0.0740800093
 C     -3.1423660605      1.9705839888     -1.4370071547
 C     -2.6420889257      1.4012823371     -2.3831040314
 C     -1.9358332863      0.4600987175     -3.0633432890
 C     -1.1728435936     -0.4170013622     -3.2977051334
 C     -0.1792180195     -1.3596975503     -3.3129814952
 C      0.7538815233     -2.0238243273     -2.9260300227
 C      1.7754981432     -2.4166483287     -2.1460695298
 C      2.5672102817     -2.5576295307     -1.2656665187
 C      3.0833145199     -2.3823778531     -0.0013957272
 C      3.0265307651     -2.0266487803      1.1717822932
 C      2.6990443630     -1.3278661692      2.3070402972
 C      2.1226988771     -0.5800367592      3.0511978933
18
# ORCA AIMD Position Step 1085, t=1085.00 fs, E_Pot=-685.23893637 Hartree, Unit is Angstrom
 C      1.1341248725      0.2808015446      3.4625488445
 C      0.1061416342      0.8967867344      3.2670415953
 C     -1.0069092001      1.4899862385      2.7346083052
 C     -1.9194396186      2.0140806517      2.1101585810
 C     -2.6998217694      2.2190784008      1.0396626216
 C     -3.2435664985      2.2457497952     -0.0709068847
 C     -3.1387530513      1.9762111317     -1.4406371121
 C     -2.6365806854      1.4060864313     -2.3803778857
 C     -1.9388048695      0.4695828537     -3.0611827096
 C     -1.1676053721     -0.4211308170     -3.3040125545
 C     -0.1768974199     -1.3524758764     -3.3170979343
 C      0.7499289009     -2.0256627968     -2.9359678667
 C      1.7735855642     -2.4173685685     -2.1499456224
 C      2.5696528865     -2.5537413963     -1.2652181364
 C      3.0794467326     -2.3806925163     -0.0008911239
 C      3.0267376958     -2.0268362230      1.1730047770
 C      2.6921434333     -1.3436410139      2.3093266021
 C      2.1144779136     -0.5835774215      3.0489880687
18
# ORCA AIMD Position Step 1086, t=1086.00 fs, E_Pot=-685.23985095 Hartree, Unit is Angstrom
 C      1.1351944645      0.2740901377      3.4667607880
 C      0.1080003151      0.8991060437      3.2752497373
 C     -1.0008113251      1.4921839077      2.7350320333
 C     -1.9160569298      2.0110835538      2.1138773223
 C     -2.7017327101      2.2200317382      1.0386352892
 C     -3.2471966050      2.2419640098     -0.0677460451
 C     -3.1354015415      1.9821351151     -1.4424640193
 C     -2.6312892916      1.4105617621     -2.3779283281
 C     -1.9421654415      0.4796832745     -3.0589631137
 C     -1.1617146872     -0.4260167692     -3.3108207157
 C     -0.1752274024     -1.3448045399     -3.3212210047
 C      0.7463686372     -2.0275534004     -2.9458054138
 C      1.7711268300     -2.4182331315     -2.1548658316
 C      2.5730994951     -2.5498845387     -1.2631635481
 C      3.0750698806     -2.3789004658      0.0001197381
 C      3.0271399959     -2.0269746074      1.1736954623
 C      2.6857350007     -1.3599021101      2.3108972314
 C      2.1056630161     -0.5866139311      3.0473025643
18
# ORCA AIMD Position Step 1087, t=1087.00 fs, E_Pot=-685.23902864 Hartree, Unit is Angstrom
 C      1.1362352837      0.2671848332      3.4704604922
 C      0.1093239220      0.9017730483      3.2833087030
 C     -0.9944110161      1.4945624061      2.7359336631
 C     -1.9122441949      2.0074945026      2.1176913037
 C     -2.7046182370      2.2212467987      1.0364133086
 C     -3.2497132186      2.2381078365     -0.0649192653
 C     -3.1324394369      1.9884643316     -1.4421997171
 C     -2.6262504013      1.4147485581     -2.3757990222
 C     -1.9448608190      0.4891681342     -3.0571276956
 C     -1.1563413186     -0.4303306928     -3.3178054525
 C     -0.1740845273     -1.3368662491     -3.3254013436
 C      0.7434797101     -2.0296308302     -2.9553670058
 C      1.7684259967     -2.4192465278     -2.1604417324
 C      2.5770483893     -2.5460098001     -1.2600866079
 C      3.0702500544     -2.3770280366      0.0015697501
 C      3.0277290814     -2.0271245921      1.1738741703
 C      2.6795459418     -1.3761704109      2.3121786422
 C      2.0966755631     -0.5896469796      3.0457956750
18
# ORCA AIMD Position Step 1088, t=1088.00 fs, E_Pot=-685.23714852 Hartree, Unit is Angstrom
 C      1.1368753988      0.2603605667      3.4736639782
 C      0.1103485297      0.9046384055      3.2912451713
 C     -0.9876265184      1.4970578301      2.7374050266
 C     -1.9083312239      2.0034648354      2.1212245011
 C     -2.7081148104      2.2226305226      1.0336221346
 C     -3.2512279007      2.2342095667     -0.0627952665
 C     -3.1299149402      1.9952130246     -1.4397688399
 C     -2.6215475011      1.4187623766     -2.3739048100
 C     -1.9460448095      0.4970433229     -3.0560550415
 C     -1.1524726308     -0.4329543794     -3.3247006482
 C     -0.1732564945     -1.3288864990     -3.3296629489
 C      0.7414385150     -2.0319654870     -2.9645376328
 C      1.7658733771     -2.4204355324     -2.1661998903
 C      2.5809376782     -2.5420571103     -1.2566607392
 C      3.0650491772     -2.3751185129      0.0033210778
 C      3.0284859306     -2.0273156309      1.1736628196
 C      2.6732928726     -1.3919887208      2.3135901504
 C      2.0879422895     -0.5932012130      3.0441088603
18
# ORCA AIMD Position Step 1089, t=1089.00 fs, E_Pot=-685.23537900 Hartree, Unit is Angstrom
 C      1.1367646874      0.2538743111      3.4763939730
 C      0.1113293570      0.9075437969      3.2991017340
 C     -0.9804164808      1.4996332611      2.7395052689
 C     -1.9046305656      1.9991346117      2.1241169746
 C     -2.7118239167      2.2240890185      1.0309450789
 C     -3.2518897568      2.2303052397     -0.0617114445
 C     -3.1277857511      2.0022972953     -1.4353176124
 C     -2.6172971714      1.4227568339     -2.3720610816
 C     -1.9451795593      0.5026795660     -3.0559956374
 C     -1.1507885875     -0.4331123719     -3.3313256764
 C     -0.1724810087     -1.3211131614     -3.3340033314
 C      0.7403009699     -2.0345557204     -2.9732662583
 C      1.7638542233     -2.4218204488     -2.1716775894
 C      2.5842343951     -2.5379802960     -1.2535369996
 C      3.0595278851     -2.3732267677      0.0051971620
 C      3.0293928528     -2.0275457611      1.1732540728
 C      2.6667382761     -1.4069840442      2.3154703690
 C      2.0798172695     -0.5977385223      3.0419419508
18
# ORCA AIMD Position Step 1090, t=1090.00 fs, E_Pot=-685.23472864 Hartree, Unit is Angstrom
 C      1.1356332556      0.2479258041      3.4786721704
 C      0.1125011008      0.9103435811      3.3069209839
 C     -0.9728197629      1.5022944017      2.7422410513
 C     -1.9013777290      1.9946096630      2.1260785633
 C     -2.7153770324      2.2255339226      1.0290109038
 C     -3.2518445579      2.2264440853     -0.0618882332
 C     -3.1259320008      2.0095377189     -1.4291993780
 C     -2.6136226762      1.4268831592     -2.3700317649
 C     -1.9420660744      0.5058478612     -3.0570425010
 C     -1.1516128552     -0.4304235503     -3.3375911760
 C     -0.1714934064     -1.3137840476     -3.3383923946
 C      0.7400181939     -2.0373261718     -2.9815488807
 C      1.7626971416     -2.4234114812     -2.1764800765
 C      2.5864877896     -2.5337500362     -1.2512768965
 C      3.0537426340     -2.3714093048      0.0070075450
 C      3.0304273482     -2.0277949168      1.1728766421
 C      2.6597245619     -1.4208966186      2.3180374018
 C      2.0725411589     -0.6035911123      3.0391017899
18
# ORCA AIMD Position Step 1091, t=1091.00 fs, E_Pot=-685.23543243 Hartree, Unit is Angstrom
 C      1.1333387285      0.2426286698      3.4805124648
 C      0.1140440900      0.9129220315      3.3147300611
 C     -0.9649850930      1.5050960597      2.7455480891
 C     -1.8986926756      1.9899507091      2.1269281634
 C     -2.7184857561      2.2268850564      1.0282956151
 C     -3.2512012448      2.2226932717     -0.0633469636
 C     -3.1241790591      2.0166773231     -1.4219434231
 C     -2.6106261229      1.4312498629     -2.3675861861
 C     -1.9368441906      0.5067165416     -3.0591208684
 C     -1.1548944949     -0.4249183295     -3.3434928416
 C     -0.1700714023     -1.3071004605     -3.3427742371
 C      0.7404578166     -2.0401330466     -2.9894074782
 C      1.7626347141     -2.4252060131     -2.1803178830
 C      2.5873636503     -2.5293616658     -1.2503088511
 C      3.0477495577     -2.3697166782      0.0085801424
 C      3.0315628805     -2.0280396907      1.1727523632
 C      2.6521965221     -1.4335863694      2.3213706933
 C      2.0662175018     -0.6109121459      3.0355328190
18
# ORCA AIMD Position Step 1092, t=1092.00 fs, E_Pot=-685.23682557 Hartree, Unit is Angstrom
 C      1.1298954623      0.2379906996      3.4819171877
 C      0.1160631014      0.9152075502      3.3225304576
 C     -0.9571717447      1.5081394501      2.7492907729
 C     -1.8965644425      1.9851672137      2.1266145494
 C     -2.7209757688      2.2280751403      1.0290499006
 C     -3.2500138015      2.2191386448     -0.0658526936
 C     -3.1223260515      2.0234155980     -1.4142071774
 C     -2.6083643917      1.4358935711     -2.3645474861
 C     -1.9299804636      0.5058382106     -3.0619870143
 C     -1.1602076809     -0.4170409615     -3.3491078526
 C     -0.1680678964     -1.3012078432     -3.3470772539
 C      0.7414328254     -2.0427883430     -2.9968753044
 C      1.7637781171     -2.4271814322     -2.1830421545
 C      2.5866681858     -2.5248319183     -1.2508881695
 C      3.0416045815     -2.3681838006      0.0097923006
 C      3.0327686459     -2.0282719336      1.1730472609
 C      2.6442112316     -1.4450370137      2.3254098285
 C      2.0607944779     -0.6196489465      3.0313313983
18
# ORCA AIMD Position Step 1093, t=1093.00 fs, E_Pot=-685.23774076 Hartree, Unit is Angstrom
 C      1.1254762124      0.2339054457      3.4828804293
 C      0.1185723746      0.9171853964      3.3303034120
 C     -0.9497175432      1.5115589466      2.7532782170
 C     -1.8948589073      1.9802229623      2.1252131098
 C     -2.7228008278      2.2290505024      1.0312762851
 C     -3.2482760692      2.2158788738     -0.0689136768
 C     -3.1201751232      2.0294545871     -1.4067032839
 C     -2.6068300830      1.4407733365     -2.3608256792
 C     -1.9222285766      0.5041068748     -3.0652538767
 C     -1.1667919818     -0.4076075116     -3.3546012040
 C     -0.1654219498     -1.2961815556     -3.3512283452
 C      0.7427398716     -2.0450870916     -3.0039831178
 C      1.7660874183     -2.4292980796     -2.1846707931
 C      2.5843695723     -2.5201958196     -1.2530715473
 C      3.0353579184     -2.3668213197      0.0105949887
 C      3.0340136336     -2.0285085732      1.1738349790
 C      2.6359242094     -1.4553629343      2.3299692329
 C      2.0560663238     -0.6295529037      3.0267370295
18
# ORCA AIMD Position Step 1094, t=1094.00 fs, E_Pot=-685.23726955 Hartree, Unit is Angstrom
 C      1.1203795513      0.2301666140      3.4833911372
 C      0.1214814234      0.9189103596      3.3380124135
 C     -0.9429717368      1.5154910053      2.7573034652
 C     -1.8933506232      1.9750510145      2.1228989064
 C     -2.7240295108      2.2297736648      1.0347614558
 C     -3.2459301207      2.2130117719     -0.0718609692
 C     -3.1175653550      2.0345486983     -1.4000891689
 C     -2.6059525406      1.4457874675     -2.3564297077
 C     -1.9145324602      0.5026541683     -3.0684404864
 C     -1.1736411576     -0.3977121348     -3.3602174558
 C     -0.1621634205     -1.2920197453     -3.3551699822
 C      0.7442005657     -2.0468433108     -3.0107558404
 C      1.7693695145     -2.4314985157     -2.1854035163
 C      2.5805996516     -2.5154954973     -1.2566995353
 C      3.0290448625     -2.3656151237      0.0110047659
 C      3.0352667741     -2.0287940618      1.1750926686
 C      2.6275696654     -1.4648088723      2.3347606999
 C      2.0516978127     -0.6402198596      3.0221046799
18
# ORCA AIMD Position Step 1095, t=1095.00 fs, E_Pot=-685.23546852 Hartree, Unit is Angstrom
 C      1.1149842418      0.2264952822      3.4834398100
 C      0.1246128210      0.9204997021      3.3456091430
 C     -0.9372438592      1.5200557641      2.7611785115
 C     -1.8917750708      1.9695722291      2.1199017036
 C     -2.7248030027      2.2302200699      1.0391601109
 C     -3.2428917374      2.2106255682     -0.0739623874
 C     -3.1143934779      2.0385413138     -1.3948823210
 C     -2.6056023209      1.4507810883     -2.3514733844
 C     -1.9078823680      0.5026829751     -3.0710439923
 C     -1.1796772279     -0.3885392260     -3.3662456068
 C     -0.1583844997     -1.2886594425     -3.3588698401
 C      0.7457003945     -2.0479201254     -3.0171979460
 C      1.7732735560     -2.4337094125     -2.1856231345
 C      2.5756464317     -2.5107757130     -1.2614066473
 C      3.0226835022     -2.3645291056      0.0110943909
 C      3.0364975517     -2.0291986832      1.1767054142
 C      2.6194240240     -1.4737126907      2.3394419647
 C      2.0472727479     -0.6511570654      3.0178534331
18
# ORCA AIMD Position Step 1096, t=1096.00 fs, E_Pot=-685.23343586 Hartree, Unit is Angstrom
 C      1.1096859664      0.2225860814      3.4830201888
 C      0.1277244694      0.9221191529      3.3530349835
 C     -0.9327531914      1.5253317986      2.7647665868
 C     -1.8898784343      1.9637166968      2.1164624053
 C     -2.7252885743      2.2303752820      1.0440881867
 C     -3.2390747104      2.2087903812     -0.0745622556
 C     -3.1106331384      2.0413863657     -1.3913767854
 C     -2.6056048935      1.4555634369     -2.3461681195
 C     -1.9031269974      0.5052358864     -3.0726279210
 C     -1.1839486497     -0.3811325206     -3.3729571004
 C     -0.1542235339     -1.2859907834     -3.3623258565
 C      0.7472074610     -2.0482450494     -3.0232859183
 C      1.7773169986     -2.4358450461     -2.1858687858
 C      2.5699270643     -2.5060816462     -1.2666518535
 C      3.0162760035     -2.3635143995      0.0109613979
 C      3.0376754615     -2.0298092268      1.1784976478
 C      2.6117684154     -1.4824503662      2.3436660522
 C      2.0423586822     -0.6618623512      3.0144088555
18
# ORCA AIMD Position Step 1097, t=1097.00 fs, E_Pot=-685.23252222 Hartree, Unit is Angstrom
 C      1.1048353068      0.2181603637      3.4821318464
 C      0.1305475508      0.9239541173      3.3602199340
 C     -0.9296018813      1.5313382907      2.7680020598
 C     -1.8874619363      1.9574443894      2.1127962721
 C     -2.7256356676      2.2302317809      1.0492040098
 C     -3.2344144658      2.2075533294     -0.0731990275
 C     -3.1063470616      2.0431542832     -1.3895906012
 C     -2.6057556069      1.4599170768     -2.3408143851
 C     -1.9007735524      0.5109455661     -3.0729150484
 C     -1.1858418753     -0.3761486789     -3.3805205083
 C     -0.1498483438     -1.2838768035     -3.3655636309
 C      0.7487723646     -2.0478144987     -3.0289688068
 C      1.7809415525     -2.4378135065     -2.1867752523
 C      2.5639370268     -2.5014562338     -1.2717803023
 C      3.0098156416     -2.3625194907      0.0107005176
 C      3.0387697206     -2.0307185916      1.1802658867
 C      2.6048480287     -1.4913593669      2.3471370913
 C      2.0365806417     -0.6719033938      3.0121389352
18
# ORCA AIMD Position Step 1098, t=1098.00 fs, E_Pot=-685.23328174 Hartree, Unit is Angstrom
 C      1.1006809369      0.2130232991      3.4807838042
 C      0.1328335942      0.9261711156      3.3670797287
 C     -0.9277647955      1.5380197900      2.7708958047
 C     -1.8844172064      1.9507678347      2.1090704636
 C     -2.7259445435      2.2297851443      1.0542647561
 C     -3.2288900744      2.2069369901     -0.0696888680
 C     -3.1016901658      2.0440228238     -1.3892533073
 C     -2.6058374998      1.4636101196     -2.3357847311
 C     -1.9008435402      0.5198392501     -3.0718651719
 C     -1.1852296987     -0.3736810658     -3.3889209128
 C     -0.1454452805     -1.2821694699     -3.3686280331
 C      0.7505078645     -2.0466854081     -3.0341721354
 C      1.7835920133     -2.4395266043     -2.1889748928
 C      2.5581821665     -2.4969429172     -1.2761174580
 C      3.0033017257     -2.3615010110      0.0103847042
 C      3.0397493775     -2.0320123860      1.1818098238
 C      2.5988334070     -1.5006538737      2.3496646809
 C      2.0296977548     -0.6809874356      3.0112913767
18
# ORCA AIMD Position Step 1099, t=1099.00 fs, E_Pot=-685.23509913 Hartree, Unit is Angstrom
 C      1.0973180062      0.2071139145      3.4789996412
 C      0.1344074852      0.9288767919      3.3735217397
 C     -0.9270891096      1.5452431122      2.7735363501
 C     -1.8807461511      1.9437607774      2.1053889632
 C     -2.7262464683      2.2290343584      1.0591624884
 C     -3.2225434773      2.2069369661     -0.0641655938
 C     -3.0968952671      2.0442558204     -1.3898432012
 C     -2.6056448889      1.4664220255     -2.3314832556
 C     -1.9028557124      0.5313021290     -3.0697013172
 C     -1.1824872829     -0.3732370136     -3.3979345704
 C     -0.1412064891     -1.2807224179     -3.3715748598
 C      0.7525553083     -2.0449610457     -3.0388128261
 C      1.7848281390     -2.4409124219     -2.1929637686
 C      2.5530827112     -2.4925839199     -1.2791005787
 C      2.9967488173     -2.3604304186      0.0100546114
 C      3.0405848092     -2.0337577146      1.1829614766
 C      2.5937837016     -1.5103607834      2.3512091429
 C      2.0216613301     -0.6890228101      3.0119393128
18
# ORCA AIMD Position Step 1100, t=1100.00 fs, E_Pot=-685.23674891 Hartree, Unit is Angstrom
 C      1.0946565247      0.2005249353      3.4768198118
 C      0.1352009999      0.9320965217      3.3794596725
 C     -0.9273006591      1.5528117238      2.7760869077
 C     -1.8765633436      1.9365500632      2.1017801827
 C     -2.7264968309      2.2279785395      1.0639483702
 C     -3.2154776542      2.2075241445     -0.0570647152
 C     -3.0922335737      2.0441634430     -1.3906726333
 C     -2.6050169451      1.4681883457     -2.3282763693
 C     -1.9059585920      0.5442421938     -3.0668639357
 C     -1.1783459591     -0.3739043649     -3.4071839646
 C     -0.1373161577     -1.2793938446     -3.3744662634
 C      0.7550474972     -2.0427653615     -3.0428280608
 C      1.7844389246     -2.4419306076     -2.1989735756
 C      2.5488705569     -2.4884106884     -1.2804140429
 C      2.9901812382     -2.3592974135      0.0097105719
 C      3.0412489965     -2.0359929308      1.1836160536
 C      2.5896272013     -1.5203190266      2.3518924823
 C      2.0126274778     -0.6961519181      3.0139615884
18
# ORCA AIMD Position Step 1101, t=1101.00 fs, E_Pot=-685.23727291 Hartree, Unit is Angstrom
 C      1.0924297560      0.1934890526      3.4742998326
 C      0.1352646252      0.9357695853      3.3848287075
 C     -0.9280383911      1.5604975364      2.7787676645
 C     -1.8720711759      1.9292931993      2.0982034002
 C     -2.7265863422      2.2266169437      1.0688207121
 C     -3.2078430632      2.2086501299     -0.0490383329
 C     -3.0879556437      2.0440440366     -1.3910293591
 C     -2.6038723467      1.4688424158     -2.3264126089
 C     -1.9091490360      0.5573744892     -3.0639100142
 C     -1.1736668595     -0.3746180529     -3.4162385662
 C     -0.1339316610     -1.2780537422     -3.3773656393
 C      0.7580721659     -2.0402113037     -3.0462013074
 C      1.7825074454     -2.4425799941     -2.2068999242
 C      2.5455254320     -2.4844374180     -1.2800743158
 C      2.9836245700     -2.3581096436      0.0093151402
 C      3.0417190987     -2.0387254113      1.1837496278
 C      2.5861757245     -1.5302283228      2.3519671720
 C      2.0029175758     -0.7027265958      3.0170729560
18
# ORCA AIMD Position Step 1102, t=1102.00 fs, E_Pot=-685.23647832 Hartree, Unit is Angstrom
 C      1.0902499102      0.1863336360      3.4715053398
 C      0.1347390157      0.9397700985      3.3895861815
 C     -0.9289028832      1.5680695630      2.7818284680
 C     -1.8675158640      1.9221527184      2.0945728936
 C     -2.7263665953      2.2249483825      1.0740808964
 C     -3.1998148388      2.2102596293     -0.0408429544
 C     -3.0842385397      2.0441201058     -1.3903211579
 C     -2.6022359451      1.4684485634     -2.3259553114
 C     -1.9114745631      0.5694823668     -3.0614082881
 C     -1.1692296165     -0.3744112805     -3.4247064975
 C     -0.1311780598     -1.2765887491     -3.3803301346
 C      0.7616438734     -2.0373716879     -3.0489751315
 C      1.7793968381     -2.4428957566     -2.2163176323
 C      2.5427882428     -2.4806633565     -1.2784167850
 C      2.9770998394     -2.3568893614      0.0087956305
 C      3.0419723528     -2.0419328306      1.1834286378
 C      2.5831739472     -1.5397248723      2.3517469457
 C      1.9929456537     -0.7092307591      3.0208917553
18
# ORCA AIMD Position Step 1103, t=1103.00 fs, E_Pot=-685.23493293 Hartree, Unit is Angstrom
 C      1.0876660738      0.1794338407      3.4685083608
 C      0.1338291649      0.9439268181      3.3937134797
 C     -0.9295154466      1.5753242782      2.7855111593
 C     -1.8631361166      1.9152734192      2.0908030244
 C     -2.7256932322      2.2229740362      1.0800358470
 C     -3.1915656025      2.2122973530     -0.0332038578
 C     -3.0811549190      2.0445063870     -1.3881686987
 C     -2.6002367071      1.4671929402     -2.3267715154
 C     -1.9121507821      0.5795693341     -3.0598648215
 C     -1.1656211669     -0.3725497448     -3.4322776946
 C     -0.1291450738     -1.2749038171     -3.3834066682
 C      0.7656878768     -2.0342597722     -3.0512512632
 C      1.7756625044     -2.4429433127     -2.2265815236
 C      2.5402409621     -2.4770795253     -1.2760061669
 C      2.9706252367     -2.3556682521      0.0080720944
 C      3.0419868341     -2.0455709838      1.1827837814
 C      2.5803566996     -1.5484627500      2.3515396025
 C      1.9831445699     -0.7161799163      3.0250195050
18
# ORCA AIMD Position Step 1104, t=1104.00 fs, E_Pot=-685.23357540 Hartree, Unit is Angstrom
 C      1.0842638364      0.1731360418      3.4653766963
 C      0.1327427521      0.9480665032      3.3972030859
 C     -0.9295712234      1.5821019762      2.7900124028
 C     -1.8591010179      1.9087616864      2.0868559818
 C     -2.7244670932      2.2207001442      1.0869209012
 C     -3.1832377471      2.2147173831     -0.0267175123
 C     -3.0786587517      2.0451785501     -1.3844671083
 C     -2.5980956786      1.4653742556     -2.3285302282
 C     -1.9106491879      0.5869614298     -3.0596617338
 C     -1.1631599458     -0.3686168249     -3.4387565120
 C     -0.1278891807     -1.2729273685     -3.3866247206
 C      0.7700336857     -2.0308198999     -3.0531867999
 C      1.7719519926     -2.4428049968     -2.2369388856
 C      2.5374057844     -2.4736765815     -1.2735054091
 C      2.9642129594     -2.3544822577      0.0070561633
 C      3.0417347957     -2.0495780077      1.1820032574
 C      2.5774987143     -1.5561670411      2.3515838377
 C      1.9738884493     -0.7240283304      3.0291055747
18
# ORCA AIMD Position Step 1105, t=1105.00 fs, E_Pot=-685.23320077 Hartree, Unit is Angstrom
 C      1.0797293369      0.1677081872      3.4621666633
 C      0.1316650624      0.9520313159      3.4000558271
 C     -0.9288852389      1.5882992945      2.7954465725
 C     -1.8554667149      1.9026754615      2.0827860513
 C     -2.7226751452      2.2181441199      1.0948040989
 C     -3.1749224026      2.2174849347     -0.0217560369
 C     -3.0766067136      2.0459935171     -1.3793672286
 C     -2.5960758429      1.4633415134     -2.3307806800
 C     -1.9067201315      0.5913288953     -3.0610204623
 C     -1.1619037698     -0.3625086016     -3.4440548797
 C     -0.1274348664     -1.2706125186     -3.3899946380
 C      0.7744281809     -2.0269359567     -3.0549763671
 C      1.7688971212     -2.4425692319     -2.2466532366
 C      2.5338399166     -2.4704507656     -1.2715548896
 C      2.9578757284     -2.3533650132      0.0056799079
 C      3.0411829647     -2.0538846226      1.1812908352
 C      2.5744479202     -1.5626665845      2.3520177881
 C      1.9654412204     -0.7330904134      3.0328952631
18
# ORCA AIMD Position Step 1106, t=1106.00 fs, E_Pot=-685.23403468 Hartree, Unit is Angstrom
 C      1.0739038036      0.1632981198      3.4589182241
 C      0.1307378217      0.9556944613      3.4022780004
 C     -0.9274200745      1.5938723776      2.8018188086
 C     -1.8521500778      1.8970212602      2.0787707104
 C     -2.7204160497      2.2153431027      1.1035239650
 C     -3.1666525501      2.2205730824     -0.0184176097
 C     -3.0747888475      2.0467207195     -1.3732330284
 C     -2.5944292948      1.4614312777     -2.3330334114
 C     -1.9004160053      0.5927066298     -3.0639721575
 C     -1.1616673194     -0.3544245228     -3.4481879340
 C     -0.1277683896     -1.2679449265     -3.3935044216
 C      0.7785575027     -2.0224494023     -3.0568308062
 C      1.7670308430     -2.4423194961     -2.2550971596
 C      2.5292057191     -2.4674072894     -1.2706778267
 C      2.9516328015     -2.3523405921      0.0039202023
 C      3.0402935761     -2.0584227510      1.1808228335
 C      2.5711417596     -1.5679034250      2.3528691033
 C      1.9579257674     -0.7434885703      3.0362536727
18
# ORCA AIMD Position Step 1107, t=1107.00 fs, E_Pot=-685.23560136 Hartree, Unit is Angstrom
 C      1.0668121324      0.1599063096      3.4556516294
 C      0.1300498467      0.9589699856      3.4038847262
 C     -0.9252877690      1.5988357786      2.8090190712
 C     -1.8489367171      1.8917609802      2.0751051548
 C     -2.7178968866      2.2123562473      1.1126892233
 C     -3.1584067589      2.2239604505     -0.0165197202
 C     -3.0729674212      2.0470864107     -1.3665723833
 C     -2.5933433893      1.4599058701     -2.3348507377
 C     -1.8921039259      0.5915058731     -3.0683376446
 C     -1.1620439612     -0.3448500244     -3.4512753079
 C     -0.1288349380     -1.2649439389     -3.3971217441
 C      0.7820923036     -2.0171889797     -3.0589458794
 C      1.7667148728     -2.4421191901     -2.2618326469
 C      2.5233136462     -2.4645605197     -1.2712142261
 C      2.9455127024     -2.3514193701      0.0018146171
 C      3.0390277813     -2.0631349621      1.1807083444
 C      2.5676085610     -1.5719317316      2.3540622144
 C      1.9513082703     -0.7551320439      3.0391746855
18
# ORCA AIMD Position Step 1108, t=1108.00 fs, E_Pot=-685.23700253 Hartree, Unit is Angstrom
 C      1.0586476543      0.1573863008      3.4523692476
 C      0.1296382734      0.9618184243      3.4049040708
 C     -0.9227225335      1.6032569373      2.8168448171
 C     -1.8455103937      1.8868194242      2.0721719662
 C     -2.7154082368      2.2092633893      1.1217312180
 C     -3.1501190300      2.2276280042     -0.0156516763
 C     -3.0709105732      2.0468178096     -1.3599529826
 C     -2.5929142586      1.4589222845     -2.3358985215
 C     -1.8824431764      0.5884952443     -3.0737421311
 C     -1.1624435526     -0.3345170922     -3.4535451804
 C     -0.1305306531     -1.2616663062     -3.4008019426
 C      0.7847357300     -2.0109985636     -3.0614796362
 C      1.7680939514     -2.4419996981     -2.2666673002
 C      2.5161430599     -2.4619297299     -1.2732800664
 C      2.9395466517     -2.3505917001     -0.0005257962
 C      3.0373478735     -2.0679872775      1.1809556064
 C      2.5639521164     -1.5749068699      2.3554404378
 C      1.9454090497     -0.7677444987      3.0417682371
18
# ORCA AIMD Position Step 1109, t=1109.00 fs, E_Pot=-685.23749589 Hartree, Unit is Angstrom
 C      1.0497357458      0.1554631085      3.4490579853
 C      0.1294963635      0.9642467826      3.4053802266
 C     -0.9200302065      1.6072428173      2.8250443091
 C     -1.8415213353      1.8821061021      2.0703724405
 C     -2.7132646242      2.2061526945      1.1300199687
 C     -3.1416993335      2.2315597283     -0.0152685996
 C     -3.0684233929      2.0456833506     -1.3539170340
 C     -2.5931362506      1.4585201016     -2.3359838458
 C     -1.8723165002      0.5847234059     -3.0796615059
 C     -1.1621518161     -0.3243294636     -3.4553202413
 C     -0.1327132480     -1.2581956043     -3.4044988752
 C      0.7862827702     -2.0037684843     -3.0645239887
 C      1.7710654014     -2.4419485295     -2.2696943737
 C      2.5078408164     -2.4595354379     -1.2767493321
 C      2.9337604021     -2.3498314908     -0.0029340428
 C      3.0352210106     -2.0729731651      1.1814686068
 C      2.5603268590     -1.5770593164      2.3567986088
 C      1.9399316794     -0.7809185591      3.0442343679
18
# ORCA AIMD Position Step 1110, t=1110.00 fs, E_Pot=-685.23697683 Hartree, Unit is Angstrom
 C      1.0404788685      0.1537776037      3.4456984190
 C      0.1295808097      0.9663038753      3.4053725578
 C     -0.9175190696      1.6109152796      2.8333701136
 C     -1.8366803962      1.8775470133      2.0700392449
 C     -2.7117285957      2.2031017564      1.1369995796
 C     -3.1330603626      2.2357424487     -0.0148191625
 C     -3.0653711989      2.0435229942     -1.3488959319
 C     -2.5939143173      1.4586330630     -2.3350667026
 C     -1.8627065020      0.5813694256     -3.0855019941
 C     -1.1604203385     -0.3152449325     -3.4569750993
 C     -0.1352320280     -1.2546184107     -3.4081769908
 C      0.7866637665     -1.9954636301     -3.0680863608
 C      1.7752787002     -2.4419042398     -2.2713008042
 C      2.4987103548     -2.4573962866     -1.2812480834
 C      2.9281689808     -2.3491055191     -0.0052317776
 C      3.0326171772     -2.0781073948      1.1820790419
 C      2.5569152442     -1.5786624413      2.3579115406
 C      1.9345144689     -0.7941875267      3.0468244531
18
# ORCA AIMD Position Step 1111, t=1111.00 fs, E_Pot=-685.23607604 Hartree, Unit is Angstrom
 C      1.0313015826      0.1519358186      3.4422726898
 C      0.1298283726      0.9680670503      3.4049523672
 C     -0.9154424512      1.6143871007      2.8416247190
 C     -1.8308350522      1.8731133486      2.0713678349
 C     -2.7109537391      2.2001609171      1.1422935610
 C     -3.1241410537      2.2401637857     -0.0138617332
 C     -3.0616906886      2.0402643592     -1.3451519748
 C     -2.5950866130      1.4591150064     -2.3332445234
 C     -1.8545374739      0.5795413983     -3.0907028129
 C     -1.1566013276     -0.3081050220     -3.4588689986
 C     -0.1379441642     -1.2510126106     -3.4118195759
 C      0.7859570201     -1.9861374616     -3.0720892983
 C      1.7801685261     -2.4417601643     -2.2721331359
 C      2.4891902702     -2.4555301194     -1.2861826659
 C      2.9227759886     -2.3483825840     -0.0072625957
 C      3.0295084425     -2.0834150396      1.1825874686
 C      2.5538953892     -1.5799867960      2.3585688783
 C      1.9287913676     -0.8070981907      3.0497915974
18
# ORCA AIMD Position Step 1112, t=1112.00 fs, E_Pot=-685.23565687 Hartree, Unit is Angstrom
 C      1.0225976664      0.1495621148      3.4387720544
 C      0.1301762628      0.9696221496      3.4041981197
 C     -0.9139609037      1.6177446076      2.8496861528
 C     -1.8240161066      1.8688365290      2.0743773054
 C     -2.7109505024      2.1973452180      1.1457655109
 C     -3.1149226645      2.2448048264     -0.0121455129
 C     -3.0573983616      2.0359376739     -1.3427397221
 C     -2.5964500019      1.4597648405     -2.3307323257
 C     -1.8484904113      0.5800439189     -3.0948455789
 C     -1.1503201428     -0.3034279166     -3.4612614982
 C     -0.1407218731     -1.2474448738     -3.4154319980
 C      0.7843794291     -1.9759373050     -3.0763862534
 C      1.7850294675     -2.4413797793     -2.2730127952
 C      2.4798078730     -2.4539533815     -1.2908091019
 C      2.9175730729     -2.3476421058     -0.0089177642
 C      3.0258747235     -2.0889177840      1.1828039964
 C      2.5514052543     -1.5812543979      2.3586141623
 C      1.9224564779     -0.8192739112      3.0533381684
18
# ORCA AIMD Position Step 1113, t=1113.00 fs, E_Pot=-685.23609786 Hartree, Unit is Angstrom
 C      1.0146912716      0.1463449280      3.4352024306
 C      0.1305817883      0.9710414018      3.4031926126
 C     -0.9131132927      1.6210331407      2.8575243249
 C     -1.8164665334      1.8648178198      2.0788891812
 C     -2.7115742605      2.1946313412      1.1475460361
 C     -3.1054430091      2.2496354462     -0.0096625027
 C     -3.0525886526      2.0306779546     -1.3414920205
 C     -2.5977770676      1.4603452955     -2.3278446830
 C     -1.8448543140      0.5831905724     -3.0977372534
 C     -1.1416196936     -0.3012385226     -3.4642378948
 C     -0.1434587032     -1.2439698228     -3.4190420018
 C      0.7822622674     -1.9651001142     -3.0807812030
 C      1.7891200896     -2.4406155087     -2.2748093631
 C      2.4711073880     -2.4526804438     -1.2943440549
 C      2.9125452675     -2.3468810702     -0.0101567777
 C      3.0217062530     -2.0946192300      1.1825928183
 C      2.5495142133     -1.5826030233      2.3579742423
 C      1.9153165799     -0.8304585899      3.0575709895
18
# ORCA AIMD Position Step 1114, t=1114.00 fs, E_Pot=-685.23699592 Hartree, Unit is Angstrom
 C      1.0078040899      0.1420749652      3.4315855381
 C      0.1310420890      0.9723615171      3.4020219036
 C     -0.9128123938      1.6242538857      2.8652036001
 C     -1.8086241550      1.8612195795      2.0845422320
 C     -2.7125437492      2.1919613659      1.1480153635
 C     -3.0957974509      2.2546137936     -0.0066507808
 C     -3.0474235003      2.0247157274     -1.3410397099
 C     -2.5988337055      1.4606039316     -2.3249683330
 C     -1.8434718037      0.5887418985     -3.0994390970
 C     -1.1310127879     -0.3010128593     -3.4676850287
 C     -0.1460652472     -1.2406392344     -3.4226972541
 C      0.7800136503     -1.9539344548     -3.0850547152
 C      1.7918036383     -2.4393285321     -2.2782638312
 C      2.4635398438     -2.4517224524     -1.2961339839
 C      2.9076765314     -2.3461169593     -0.0110120053
 C      3.0170050992     -2.1004962112      1.1819037099
 C      2.5482034313     -1.5840635912      2.3566795483
 C      1.9073239466     -0.8405475011      3.0624712789
18
# ORCA AIMD Position Step 1115, t=1115.00 fs, E_Pot=-685.23753269 Hartree, Unit is Angstrom
 C      1.0020298989      0.1366685295      3.4279575119
 C      0.1316067456      0.9735673785      3.4007718503
 C     -0.9128645959      1.6273714982      2.8728681417
 C     -1.8010600383      1.8582402745      2.0908473029
 C     -2.7134870373      2.1892557227      1.1477423598
 C     -3.0861240903      2.2596888860     -0.0035466260
 C     -3.0421067614      2.0183474209     -1.3408733093
 C     -2.5994018887      1.4602994726     -2.3225173355
 C     -1.8438108880      0.5960066568     -3.1002248623
 C     -1.1193928286     -0.3017859994     -3.4713350120
 C     -0.1484622706     -1.2375082466     -3.4264621678
 C      0.7780704414     -1.9427835096     -3.0889933483
 C      1.7926853660     -2.4374069532     -2.2838061766
 C      2.4573457016     -2.4510841134     -1.2958357155
 C      2.9029511651     -2.3453870568     -0.0115796492
 C      3.0117845170     -2.1064985114      1.1807868848
 C      2.5473605318     -1.5855639628      2.3548638356
 C      1.8985822002     -0.8495961153      3.0678911085
18
# ORCA AIMD Position Step 1116, t=1116.00 fs, E_Pot=-685.23719888 Hartree, Unit is Angstrom
 C      0.9973300950      0.1301694524      3.4243647464
 C      0.1323792848      0.9745879586      3.3995242174
 C     -0.9130177696      1.6303301230      2.8807116465
 C     -1.7943849918      1.8560817501      2.0972711138
 C     -2.7140025273      2.1864250741      1.1473826996
 C     -3.0765754711      2.2648092977     -0.0008892265
 C     -3.0368466819      2.0118854104     -1.3404402399
 C     -2.5993069349      1.4592365724     -2.3208693898
 C     -1.8451328775      0.6040598812     -3.1004907819
 C     -1.1078362915     -0.3023811461     -3.4748515085
 C     -0.1505793879     -1.2346364733     -3.4304124552
 C      0.7768447381     -1.9319806023     -3.0924179907
 C      1.7916945391     -2.4347776845     -2.2914421361
 C      2.4524846499     -2.4507618161     -1.2935318809
 C      2.8983558510     -2.3447436694     -0.0120006479
 C      3.0060626441     -2.1125560687      1.1793895518
 C      2.5467996353     -1.5869564869      2.3527371720
 C      1.8893191342     -0.8578005841      3.0735802655
18
# ORCA AIMD Position Step 1117, t=1117.00 fs, E_Pot=-685.23609937 Hartree, Unit is Angstrom
 C      0.9935558467      0.1227250068      3.4208608066
 C      0.1335003828      0.9753060489      3.3983524660
 C     -0.9130244815      1.6330748777      2.8889229447
 C     -1.7891479026      1.8549179215      2.1033322743
 C     -2.7137292592      2.1833941122      1.1475557622
 C     -3.0672867126      2.2699223357      0.0008000420
 C     -3.0318153124      2.0056031593     -1.3392549085
 C     -2.5984408179      1.4572948767     -2.3202986996
 C     -1.8466675671      0.6119650344     -3.1006617899
 C     -1.0973863722     -0.3016568542     -3.4779144294
 C     -0.1523626262     -1.2320744493     -3.4346253874
 C      0.7766767176     -1.9218075186     -3.0952033803
 C      1.7890766492     -2.4314181581     -2.3007549029
 C      2.4486517031     -2.4507383405     -1.2897245368
 C      2.8938761751     -2.3442515217     -0.0124358414
 C      2.9998619138     -2.1185811519      1.1779358954
 C      2.5462924078     -1.5880647188      2.3505436530
 C      1.8798415719     -0.8654481920      3.0792303379
18
# ORCA AIMD Position Step 1118, t=1118.00 fs, E_Pot=-685.23493416 Hartree, Unit is Angstrom
 C      0.9904875094      0.1145532218      3.4175042092
 C      0.1351251906      0.9755789681      3.3973170847
 C     -0.9127136141      1.6355692001      2.8976305513
 C     -1.7857405400      1.8548692185      2.1086840147
 C     -2.7123975368      2.1801092167      1.1487235269
 C     -3.0583472643      2.2749806006      0.0011456369
 C     -3.0271194525      1.9996897008     -1.3369989159
 C     -2.5967823591      1.4544590912     -2.3209218908
 C     -1.8477555975      0.6189370328     -3.1011141557
 C     -1.0888824931     -0.2987002110     -3.4802760791
 C     -0.1537819743     -1.2298566845     -3.4391740141
 C      0.7777945521     -1.9124636800     -3.0972917215
 C      1.7853122817     -2.4273500244     -2.3110201186
 C      2.4453618665     -2.4509878946     -1.2852101709
 C      2.8895032032     -2.3439768100     -0.0130407677
 C      2.9931992778     -2.1244806996      1.1766951814
 C      2.5456138273     -1.5887253906      2.3485125275
 C      1.8704818833     -0.8728611348      3.0845252504
18
# ORCA AIMD Position Step 1119, t=1119.00 fs, E_Pot=-685.23446318 Hartree, Unit is Angstrom
 C      0.9878828980      0.1059020404      3.4143584617
 C      0.1373901360      0.9752675144      3.3964620752
 C     -0.9120403715      1.6378073257      2.9068514045
 C     -1.7843348638      1.8559865846      2.1131736023
 C     -2.7098673906      2.1765541913      1.1510975797
 C     -3.0497854107      2.2799350794      0.0000138502
 C     -3.0227826477      1.9942225552     -1.3335869107
 C     -2.5944039130      1.4508286424     -2.3226666465
 C     -1.8479330296      0.6244349769     -3.1021289102
 C     -1.0828491400     -0.2929558092     -3.4817897579
 C     -0.1548397320     -1.2279780072     -3.4441157446
 C      0.7802839806     -1.9040487456     -3.0986987054
 C      1.7810015792     -2.4226379535     -2.3213668630
 C      2.4420709233     -2.4514792411     -1.2809025283
 C      2.8852339112     -2.3439817579     -0.0139395738
 C      2.9860879406     -2.1301617666      1.1759386137
 C      2.5445754335     -1.5888252135      2.3468211049
 C      1.8615548983     -0.8803379078      3.0891832906
18
# ORCA AIMD Position Step 1120, t=1120.00 fs, E_Pot=-685.23498134 Hartree, Unit is Angstrom
 C      0.9855197779      0.0970152361      3.4114898543
 C      0.1403792584      0.9742630987      3.3958123696
 C     -0.9111020041      1.6398141580      2.9164667048
 C     -1.7848576270      1.8582449797      2.1168656011
 C     -2.7061461154      2.1727637512      1.1545965883
 C     -3.0415676267      2.2847297288     -0.0024444953
 C     -3.0187481984      1.9891631432     -1.3291826993
 C     -2.5914609845      1.4466085948     -2.3252787978
 C     -1.8469707880      0.6281996268     -3.1038681456
 C     -1.0794415863     -0.2842887956     -3.4824198495
 C     -0.1555760149     -1.2263832469     -3.4494813017
 C      0.7840685958     -1.8965531529     -3.0995146510
 C      1.7767597919     -2.4173894439     -2.3309215307
 C      2.4382870340     -2.4521744240     -1.2776616493
 C      2.8810704025     -2.3443170651     -0.0152028610
 C      2.9785433117     -2.1355370341      1.1758881159
 C      2.5430488896     -1.5883239005      2.3455708630
 C      1.8533250372     -0.8881081679      3.0929887773
18
# ORCA AIMD Position Step 1121, t=1121.00 fs, E_Pot=-685.23611239 Hartree, Unit is Angstrom
 C      0.9832275324      0.0881004097      3.4089626005
 C      0.1440981647      0.9725151671      3.3953693349
 C     -0.9101185740      1.6416394969      2.9262357783
 C     -1.7870036665      1.8615443813      2.1200253117
 C     -2.7013772082      2.1688197036      1.1588702357
 C     -3.0336094113      2.2893038784     -0.0058112251
 C     -3.0148980112      1.9843759952     -1.3241709251
 C     -2.5881690431      1.4420809766     -2.3283670301
 C     -1.8448951685      0.6302661631     -3.1063556214
 C     -1.0784314900     -0.2729957596     -3.4822410749
 C     -0.1560575443     -1.2249703750     -3.4552599466
 C      0.7889028204     -1.8898619139     -3.0999108008
 C      1.7731569369     -2.4117520142     -2.3389195787
 C      2.4336348734     -2.4530291362     -1.2761705760
 C      2.8770129570     -2.3450124739     -0.0168324508
 C      2.9705843378     -2.1405319208      1.1766658255
 C      2.5409846514     -1.5872628192      2.3447834428
 C      1.8459758928     -0.8963031506      3.0958135618
18
# ORCA AIMD Position Step 1122, t=1122.00 fs, E_Pot=-685.23712418 Hartree, Unit is Angstrom
 C      0.9809047235      0.0793015484      3.4068343688
 C      0.1484604337      0.9700448128      3.3951110455
 C     -0.9093698943      1.6433403643      2.9358492120
 C     -1.7902972844      1.8657300103      2.1230685977
 C     -2.6958120064      2.1648438820      1.1633706977
 C     -3.0257970675      2.2935960182     -0.0094883347
 C     -3.0110764708      1.9796654273     -1.3190727008
 C     -2.5847667740      1.4375574414     -2.3314754118
 C     -1.8419851897      0.6309628178     -3.1094786480
 C     -1.0792455155     -0.2597667280     -3.4814412272
 C     -0.1563550773     -1.2236005665     -3.4614046947
 C      0.7944024196     -1.8837690833     -3.1001162175
 C      1.7706458657     -2.4058862777     -2.3447932023
 C      2.4279068430     -2.4540033222     -1.2768410699
 C      2.8730586777     -2.3460769181     -0.0187568072
 C      2.9622328154     -2.1451031818      1.1782592528
 C      2.5384095520     -1.5857598447      2.3444017809
 C      1.8395918913     -0.9049457524      3.0976303506
18
# ORCA AIMD Position Step 1123, t=1123.00 fs, E_Pot=-685.23737054 Hartree, Unit is Angstrom
 C      0.9785161087      0.0706905391      3.4051526870
 C      0.1532973562      0.9669421575      3.3949953089
 C     -0.9091328948      1.6449656477      2.9449896526
 C     -1.7941734418      1.8706180395      2.1264919188
 C     -2.6897618562      2.1609806373      1.1674625607
 C     -3.0180077481      2.2975507698     -0.0128146676
 C     -3.0071202305      1.9748160257     -1.3144460722
 C     -2.5814824931      1.4333343362     -2.3341577965
 C     -1.8387428732      0.6308736884     -3.1130034233
 C     -1.0810426595     -0.2455884860     -3.4803093708
 C     -0.1565125032     -1.2221300674     -3.4678352474
 C      0.8000933373     -1.8780037574     -3.1003981038
 C      1.7695214905     -2.3999445555     -2.3482269116
 C      2.4210750046     -2.4550657316     -1.2797717648
 C      2.8691933401     -2.3474980649     -0.0208370502
 C      2.9535105520     -2.1492454861      1.1805053783
 C      2.5354181899     -1.5839939799      2.3443062171
 C      1.8341532952     -0.9139626736      3.0985109688
18
# ORCA AIMD Position Step 1124, t=1124.00 fs, E_Pot=-685.23671417 Hartree, Unit is Angstrom
 C      0.9760769756      0.0622738347      3.4039537004
 C      0.1583800998      0.9633514767      3.3949663238
 C     -0.9096263178      1.6465438133      2.9533877794
 C     -1.7980677685      1.8760226442      2.1307951288
 C     -2.6835438513      2.1573757636      1.1705373031
 C     -3.0101303200      2.3011223304     -0.0151912364
 C     -3.0028878148      1.9696364457     -1.3107813099
 C     -2.5785067474      1.4296585951     -2.3360414327
 C     -1.8358206368      0.6307510221     -3.1166155893
 C     -1.0828357640     -0.2316007900     -3.4792063883
 C     -0.1565285586     -1.2204373979     -3.4744498553
 C      0.8054835008     -1.8722722766     -3.1010277314
 C      1.7698844363     -2.3940458559     -2.3491911460
 C      2.4132921701     -2.4561964173     -1.2847337649
 C      2.8653858359     -2.3492473023     -0.0228939692
 C      2.9444378347     -2.1529938859      1.1831052193
 C      2.5321585315     -1.5821867013      2.3443344336
 C      1.8295481755     -0.9232042667      3.0986108024
18
# ORCA AIMD Position Step 1125, t=1125.00 fs, E_Pot=-685.23561794 Hartree, Unit is Angstrom
 C      0.9736253439      0.0540214397      3.4032637074
 C      0.1634499153      0.9594443232      3.3949639450
 C     -0.9109772302      1.6480756032      2.9608530725
 C     -1.8014919732      1.8817807520      2.1364136169
 C     -2.6774316161      2.1541579060      1.1721052516
 C     -3.0020827620      2.3042721704     -0.0161728665
 C     -2.9982793875      1.9639960503     -1.3084228926
 C     -2.5759818606      1.4267106063     -2.3368623551
 C     -1.8338998182      0.6313750272     -3.1199883290
 C     -1.0836506308     -0.2189172685     -3.4785119817
 C     -0.1563504861     -1.2184398268     -3.4811382263
 C      0.8101365105     -1.8663071788     -3.1022410680
 C      1.7716200952     -2.3882530022     -2.3479577348
 C      2.4048746175     -2.4573941130     -1.2911991772
 C      2.8615907678     -2.3512871871     -0.0247297146
 C      2.9350385198     -2.1564172273      1.1856577604
 C      2.5288090494     -1.5805743829      2.3443104203
 C      1.8256003073     -0.9324779390      3.0981446145
18
# ORCA AIMD Position Step 1126, t=1126.00 fs, E_Pot=-685.23480245 Hartree, Unit is Angstrom
 C      0.9712015637      0.0458926114      3.4031016649
 C      0.1682432510      0.9553982009      3.3949316621
 C     -0.9132011424      1.6495297469      2.9672910883
 C     -1.8040990907      1.8877699085      2.1436552462
 C     -2.6716113930      2.1514241301      1.1718708125
 C     -2.9938259665      2.3069637706     -0.0155397362
 C     -2.9932535269      1.9578560465     -1.3075060329
 C     -2.5739983406      1.4245978748     -2.3364867908
 C     -1.8335408536      0.6333829800     -3.1228642491
 C     -1.0826950638     -0.2084411912     -3.4785547946
 C     -0.1558879919     -1.2160937952     -3.4877947410
 C      0.8137329981     -1.8599098090     -3.1042072019
 C      1.7743897476     -2.3825610028     -2.3450992353
 C      2.3962879792     -2.4586789497     -1.2983708704
 C      2.8577511402     -2.3535788282     -0.0261630875
 C      2.9253429499     -2.1596074424      1.1877182529
 C      2.5255598765     -1.5793885336      2.3440631035
 C      1.8221015853     -0.9415735817      3.0973571003
18
# ORCA AIMD Position Step 1127, t=1127.00 fs, E_Pot=-685.23468799 Hartree, Unit is Angstrom
 C      0.9688262808      0.0378677139      3.4034812415
 C      0.1725170691      0.9513742922      3.3948211592
 C     -0.9161889673      1.6508382029      2.9727132708
 C     -1.8057351414      1.8939207627      2.1526396074
 C     -2.6661473173      2.1492277013      1.1698021683
 C     -2.9853748986      2.3091571239     -0.0133526492
 C     -2.9878440991      1.9512969872     -1.3079052594
 C     -2.5725885600      1.4233488013     -2.3349323074
 C     -1.8350176099      0.6370811678     -3.1251378355
 C     -1.0795318023     -0.2006774482     -3.4795340593
 C     -0.1550466023     -1.2133834373     -3.4943339878
 C      0.8161209350     -1.8529872623     -3.1070012096
 C      1.7776514034     -2.3768961119     -2.3414544985
 C      2.3881159237     -2.4600918174     -1.3052411237
 C      2.8538026413     -2.3560922365     -0.0270706009
 C      2.9153935933     -2.1626574365      1.1888709586
 C      2.5225947404     -1.5788408598      2.3434406415
 C      1.8188453540     -0.9502867318      3.0964936747
18
# ORCA AIMD Position Step 1128, t=1128.00 fs, E_Pot=-685.23509408 Hartree, Unit is Angstrom
 C      0.9664954787      0.0299611867      3.4044111677
 C      0.1760590513      0.9475060120      3.3945969566
 C     -0.9197057582      1.6518995895      2.9772347659
 C     -1.8064607332      1.9002188751      2.1632708948
 C     -2.6609687620      2.1475757253      1.1661538019
 C     -2.9768058385      2.3108091731     -0.0099456979
 C     -2.9821593983      1.9445228229     -1.3092447655
 C     -2.5717294870      1.4229120385     -2.3323678931
 C     -1.8382239580      0.6423522649     -3.1268992218
 C     -1.0741719913     -0.1956432700     -3.4814758636
 C     -0.1537519780     -1.2103071475     -3.5006989742
 C      0.8173215936     -1.8455622908     -3.1106025382
 C      1.7807420745     -2.3711324747     -2.3380163541
 C      2.3809868547     -2.4616916188     -1.3107204894
 C      2.8496832407     -2.3588086072     -0.0274026320
 C      2.9052472900     -2.1656485292      1.1887845401
 C      2.5200683095     -1.5791012193      2.3423302665
 C      1.8156587861     -0.9584449449      3.0957699405
18
# ORCA AIMD Position Step 1129, t=1129.00 fs, E_Pot=-685.23549513 Hartree, Unit is Angstrom
 C      0.9641688311      0.0222334670      3.4058950945
 C      0.1787072425      0.9438837386      3.3942368930
 C     -0.9234044237      1.6525822919      2.9810720278
 C     -1.8065395864      1.9067040523      2.1752419743
 C     -2.6558808490      2.1464286977      1.1614628385
 C     -2.9682484567      2.3118830978     -0.0059015656
 C     -2.9763789288      1.9378445042     -1.3109261441
 C     -2.5713413695      1.4231619924     -2.3291097492
 C     -1.8426760238      0.6486649871     -3.1284291299
 C     -1.0670653221     -0.1928814240     -3.4842327970
 C     -0.1519787189     -1.2068619358     -3.5068735587
 C      0.8175179365     -1.8377620570     -3.1149046315
 C      1.7830078231     -2.3651227327     -2.3357478550
 C      2.3754615011     -2.4635416995     -1.3138321514
 C      2.8453408150     -2.3617284924     -0.0272036209
 C      2.8949720701     -2.1686360740      1.1872736542
 C      2.5180793018     -1.5802791245      2.3406773129
 C      1.8124321309     -0.9659365990      3.0953389678
18
# ORCA AIMD Position Step 1130, t=1130.00 fs, E_Pot=-685.23554584 Hartree, Unit is Angstrom
 C      0.9617756460      0.0147806240      3.4079320877
 C      0.1803573471      0.9405477978      3.3937334006
 C     -0.9268590625      1.6527371515      2.9845225216
 C     -1.8063964578      1.9134617653      2.1880795860
 C     -2.6505965697      2.1457127469      1.1564806299
 C     -2.9598683416      2.3123547311     -0.0019629262
 C     -2.9707282546      1.9316408456     -1.3122114401
 C     -2.5712942655      1.4239082999     -2.3255920090
 C     -1.8476412058      0.6552262715     -3.1301284356
 C     -1.0589677364     -0.1916052740     -3.4875394058
 C     -0.1497629138     -1.2030299727     -3.5128891152
 C      0.8170186725     -1.8297927262     -3.1197403472
 C      1.7839617919     -2.3587358990     -2.3353469235
 C      2.3718991131     -2.4656901724     -1.3139444943
 C      2.8407390337     -2.3648742410     -0.0266126589
 C      2.8846370408     -2.1716430065      1.1843310903
 C      2.5166549995     -1.5824139082      2.3384939232
 C      1.8091328879     -0.9727284707      3.0952716265
18
# ORCA AIMD Position Step 1131, t=1131.00 fs, E_Pot=-685.23533557 Hartree, Unit is Angstrom
 C      0.9592259098      0.0077199760      3.4105164219
 C      0.1809633799      0.9374887633      3.3930927717
 C     -0.9296214578      1.6522146322      2.9879217216
 C     -1.8065347341      1.9206029607      2.2012283917
 C     -2.6447936439      2.1453403058      1.1520502411
 C     -2.9518394276      2.3122176221      0.0010987361
 C     -2.9654438428      1.9262991240     -1.3123458565
 C     -2.5714258455      1.4249216511     -2.3223076768
 C     -1.8523186477      0.6611842186     -3.1324205714
 C     -1.0507543192     -0.1909051074     -3.4910903167
 C     -0.1472018471     -1.1987722416     -3.5188208835
 C      0.8162059307     -1.8219033978     -3.1249131690
 C      1.7834109115     -2.3518958327     -2.3370518220
 C      2.3703541896     -2.4681472644     -1.3109583488
 C      2.8358629198     -2.3682901573     -0.0258487045
 C      2.8743064625     -2.1746580826      1.1801340316
 C      2.5157463829     -1.5854756959      2.3358591504
 C      1.8058057162     -0.9788650404      3.0955513396
18
# ORCA AIMD Position Step 1132, t=1132.00 fs, E_Pot=-685.23524881 Hartree, Unit is Angstrom
 C      0.9564296061      0.0011702071      3.4136370198
 C      0.1805323536      0.9346553664      3.3923342543
 C     -0.9312958946      1.6508895615      2.9915805963
 C     -1.8074332635      1.9282364467      2.2141509858
 C     -2.6381817299      2.1452346898      1.1489494027
 C     -2.9443123794      2.3114805127      0.0026425587
 C     -2.9607299177      1.9221450595     -1.3107041920
 C     -2.5715692594      1.4259731678     -2.3197250643
 C     -1.8560057253      0.6658049459     -3.1356588409
 C     -1.0432446098     -0.1899360840     -3.4946108687
 C     -0.1444401433     -1.1940288855     -3.5247749226
 C      0.8154781365     -1.8143503671     -3.1302252025
 C      1.7814952036     -2.3446076613     -2.3405801856
 C      2.3705543703     -2.4708700308     -1.3053596694
 C      2.8307241027     -2.3720382002     -0.0251821658
 C      2.8640384318     -2.1776384174      1.1750241113
 C      2.5152366300     -1.5893764149      2.3329080965
 C      1.8025570164     -0.9844484073      3.0960860507
18
# ORCA AIMD Position Step 1133, t=1133.00 fs, E_Pot=-685.23565215 Hartree, Unit is Angstrom
 C      0.9533170940     -0.0047689957      3.4172739451
 C      0.1791179275      0.9319642792      3.3914899069
 C     -0.9316227623      1.6486903122      2.9957161873
 C     -1.8094406332      1.9364355451      2.2264256993
 C     -2.6305669353      2.1453547734      1.1477282089
 C     -2.9373823033      2.3101607128      0.0023154737
 C     -2.9567158484      1.9193758937     -1.3069345188
 C     -2.5715885621      1.4268808370     -2.3181906554
 C     -1.8582108883      0.6685884401     -3.1400617303
 C     -1.0370763826     -0.1880516753     -3.4979032291
 C     -0.1416450900     -1.1887290536     -3.5308664317
 C      0.8151915246     -1.8073621524     -3.1355023402
 C      1.7786304945     -2.3369622607     -2.3452253324
 C      2.3719680836     -2.4737644705     -1.2981143317
 C      2.8253639549     -2.3761889153     -0.0248935389
 C      2.8538877409     -2.1805158420      1.1694625539
 C      2.5149610754     -1.5939859422      2.3298133566
 C      1.7995274904     -0.9896091532      3.0967328627
18
# ORCA AIMD Position Step 1134, t=1134.00 fs, E_Pot=-685.23660484 Hartree, Unit is Angstrom
 C      0.9498641063     -0.0100423010      3.4213937989
 C      0.1768089453      0.9293146564      3.3906035990
 C     -0.9305439174      1.6456255684      3.0003966271
 C     -1.8126980312      1.9452105544      2.2378143582
 C     -2.6218905483      2.1457071893      1.1486003099
 C     -2.9310662655      2.3082820834      0.0001679021
 C     -2.9534262427      1.9180127795     -1.3010666426
 C     -2.5714026084      1.4275387215     -2.3178610670
 C     -1.8587179705      0.6693333425     -3.1456734848
 C     -1.0326326600     -0.1848814114     -3.5008696032
 C     -0.1389721454     -1.1828064744     -3.5371945130
 C      0.8156155519     -1.8011125648     -3.1406100948
 C      1.7753811464     -2.3291147092     -2.3500593935
 C      2.3739304507     -2.4767029876     -1.2904549710
 C      2.8198513914     -2.3808100663     -0.0252303419
 C      2.8439088655     -2.1832102525      1.1639660709
 C      2.5147337829     -1.5991532346      2.3267617160
 C      1.7968541856     -0.9944642920      3.0973334743
18
# ORCA AIMD Position Step 1135, t=1135.00 fs, E_Pot=-685.23773036 Hartree, Unit is Angstrom
 C      0.9461056221     -0.0146569316      3.4259475100
 C      0.1737231870      0.9265976259      3.3897303418
 C     -0.9282328642      1.6418002114      3.0055215855
 C     -1.8171053465      1.9544938010      2.2482950478
 C     -2.6122406336      2.1463473451      1.1514066537
 C     -2.9252966182      2.3058770299     -0.0033203619
 C     -2.9507755152      1.9178881373     -1.2935409842
 C     -2.5709947977      1.4279305915     -2.3186764727
 C     -1.8576013932      0.6681478634     -3.1523593506
 C     -1.0300107104     -0.1803570717     -3.5035178371
 C     -0.1365291840     -1.1762188665     -3.5438217222
 C      0.8168957340     -1.7956940852     -3.1454671639
 C      1.7723293997     -2.3212531254     -2.3541472738
 C      2.3757717862     -2.4795489685     -1.2836509844
 C      2.8142778899     -2.3859546539     -0.0263566267
 C      2.8341560445     -2.1856482363      1.1590247521
 C      2.5143687178     -1.6047221454      2.3239361428
 C      1.7946395682     -0.9990902630      3.0977439941
18
# ORCA AIMD Position Step 1136, t=1136.00 fs, E_Pot=-685.23843515 Hartree, Unit is Angstrom
 C      0.9421356678     -0.0186886038      3.4308728619
 C      0.1699976634      0.9237057954      3.3889336641
 C     -0.9250743553      1.6374104845      3.0108444320
 C     -1.8223429316      1.9641445929      2.2580464564
 C     -2.6018249665      2.1473654928      1.1556847427
 C     -2.9199359026      2.3029939269     -0.0073233834
 C     -2.9485886157      1.9186745592     -1.2851477179
 C     -2.5704006860      1.4281137925     -2.3203927349
 C     -1.8552190650      0.6654369402     -3.1598210273
 C     -1.0290182386     -0.1747071794     -3.5059604483
 C     -0.1343381792     -1.1689708536     -3.5507587673
 C      0.8190316734     -1.7910992399     -3.1500550419
 C      1.7699655144     -2.3135598381     -2.3567243729
 C      2.3769249592     -2.4821822949     -1.2788000833
 C      2.8087435021     -2.3916524322     -0.0283129819
 C      2.8246780795     -2.1877794131      1.1550127761
 C      2.5137047293     -1.6105514751      2.3214950831
 C      1.7929273192     -1.0035066549      3.0978617710
18
# ORCA AIMD Position Step 1137, t=1137.00 fs, E_Pot=-685.23834524 Hartree, Unit is Angstrom
 C      0.9381002866     -0.0222776662      3.4360980728
 C      0.1657789766      0.9205352207      3.3882831796
 C     -0.9215915837      1.6327199416      3.0160315900
 C     -1.8279496272      1.9739748472      2.2673886201
 C     -2.5909201564      2.1488653392      1.1607973700
 C     -2.9148075248      2.2997001209     -0.0108264592
 C     -2.9466412935      1.9199522439     -1.2768807407
 C     -2.5696832884      1.4281842331     -2.3226653893
 C     -1.8521567789      0.6618384919     -3.1676405314
 C     -1.0292206507     -0.1683995710     -3.5083974950
 C     -0.1323206872     -1.1611215965     -3.5579638594
 C      0.8218950876     -1.7872283692     -3.1544112630
 C      1.7686172832     -2.3061784951     -2.3572987029
 C      2.3769896998     -2.4845153569     -1.2766984334
 C      2.8033408842     -2.3979063966     -0.0310069606
 C      2.8155174459     -2.1895954967      1.1521233727
 C      2.5126113596     -1.6165204611      2.3195721221
 C      1.7916946643     -1.0076720301      3.0976368338
18
# ORCA AIMD Position Step 1138, t=1138.00 fs, E_Pot=-685.23763587 Hartree, Unit is Angstrom
 C      0.9341753077     -0.0256070787      3.4415479359
 C      0.1612164365      0.9169867819      3.3878514090
 C     -0.9183566774      1.6280220117      3.0207325937
 C     -1.8334167614      1.9837816176      2.2767011719
 C     -2.5798159563      2.1509434815      1.1660815769
 C     -2.9097309039      2.2960777971     -0.0128192798
 C     -2.9447044356      1.9212866993     -1.2697604318
 C     -2.5689072426      1.4282421082     -2.3251340732
 C     -1.8491479605      0.6581351243     -3.1753368271
 C     -1.0300192067     -0.1620551051     -3.5110904787
 C     -0.1302971547     -1.1527922877     -3.5653500472
 C      0.8252633438     -1.7839082453     -3.1586143422
 C      1.7684128822     -2.2991910547     -2.3556981606
 C      2.3757679176     -2.4865018675     -1.2777595719
 C      2.7981417444     -2.4046937406     -0.0342283177
 C      2.8067092671     -2.1911353956      1.1503349197
 C      2.5109933005     -1.6225345038      2.3182742505
 C      1.7908601677     -1.0114953143      3.0970729432
18
# ORCA AIMD Position Step 1139, t=1139.00 fs, E_Pot=-685.23698151 Hartree, Unit is Angstrom
 C      0.9305327169     -0.0288624871      3.4471490468
 C      0.1564626705      0.9129598392      3.3877123202
 C     -0.9159122310      1.6236064886      3.0246331544
 C     -1.8382673544      1.9933723988      2.2863529094
 C     -2.5687741015      2.1536764099      1.1709639264
 C     -2.9045521610      2.2922090637     -0.0124696796
 C     -2.9425788736      1.9223006672     -1.2646637877
 C     -2.5681268788      1.4283720653     -2.3274853419
 C     -1.8469520621      0.6551272911     -3.1824408165
 C     -1.0307733131     -0.1563228580     -3.5143181671
 C     -0.1279970752     -1.1441668254     -3.5727943151
 C      0.8288590846     -1.7809198565     -3.1627664824
 C      1.7692762603     -2.2926101787     -2.3520736931
 C      2.3732705971     -2.4881411775     -1.2819911231
 C      2.7931867447     -2.4119680814     -0.0376863531
 C      2.7982842678     -2.1924870548      1.1494160277
 C      2.5087875691     -1.6285201544      2.3176914411
 C      1.7903079400     -1.0148598632      3.0962172938
18
# ORCA AIMD Position Step 1140, t=1140.00 fs, E_Pot=-685.23711881 Hartree, Unit is Angstrom
 C      0.9273215182     -0.0322053512      3.4528286077
 C      0.1516610965      0.9083583812      3.3879358342
 C     -0.9146929701      1.6197226565      3.0274999478
 C     -1.8421213050      2.0025854963      2.2966351861
 C     -2.5579996510      2.1571118800      1.1750458230
 C     -2.8991695283      2.2881541844     -0.0092762389
 C     -2.9401169564      1.9227314262     -1.2621775224
 C     -2.5673807560      1.4286319429     -2.3294907060
 C     -1.8462152483      0.6534911049     -3.1885683752
 C     -1.0309367231     -0.1517456230     -3.5183226932
 C     -0.1250991828     -1.1354748928     -3.5801539858
 C      0.8324073489     -1.7780391522     -3.1669637040
 C      1.7709248117     -2.2863730114     -2.3469001762
 C      2.3697172840     -2.4894821169     -1.2889902758
 C      2.7884836704     -2.4196646365     -0.0410718003
 C      2.7902758043     -2.1937744903      1.1489875448
 C      2.5059576670     -1.6344202393      2.3178969193
 C      1.7899048423     -1.0176387433      3.0951501728
18
# ORCA AIMD Position Step 1141, t=1141.00 fs, E_Pot=-685.23831250 Hartree, Unit is Angstrom
 C      0.9246378020     -0.0357358912      3.4585204666
 C      0.1469529322      0.9030902538      3.3885857345
 C     -0.9149888694      1.6165595359      3.0292037049
 C     -1.8447389626      2.0113016001      2.3077104366
 C     -2.5476275215      2.1612650113      1.1781434481
 C     -2.8935450135      2.2839388566     -0.0031455202
 C     -2.9372325188      1.9224586738     -1.2625200305
 C     -2.5666917366      1.4290518852     -2.3310153423
 C     -1.8473261106      0.6536338445     -3.1934871036
 C     -1.0302112373     -0.1486098227     -3.5232494481
 C     -0.1212661297     -1.1269840821     -3.5872855852
 C      0.8356726956     -1.7750669209     -3.1712806185
 C      1.7728947171     -2.2803496444     -2.3409459783
 C      2.3655206655     -2.4906253677     -1.2979691801
 C      2.7840127558     -2.4277013385     -0.0440955966
 C      2.7827189974     -2.1951420670      1.1485820563
 C      2.5024951887     -1.6401890539      2.3189446359
 C      1.7895301560     -1.0197246292      3.0939645412
18
# ORCA AIMD Position Step 1142, t=1142.00 fs, E_Pot=-685.24013936 Hartree, Unit is Angstrom
 C      0.9225149435     -0.0394814053      3.4641658472
 C      0.1424542121      0.8970845076      3.3897108784
 C     -0.9168938874      1.6142130343      3.0297427687
 C     -1.8460503811      2.0194578912      2.3195814944
 C     -2.5377131973      2.1661186960      1.1803131442
 C     -2.8877116530      2.2795479555      0.0055736952
 C     -2.9339056335      1.9215173808     -1.2655003694
 C     -2.5660696851      1.4296343423     -2.3320262364
 C     -1.8503202665      0.6556044872     -3.1971608103
 C     -1.0286246347     -0.1468734235     -3.5291123951
 C     -0.1162039014     -1.1189581209     -3.5940646395
 C      0.8384950237     -1.7718565133     -3.1757560583
 C      1.7745889620     -2.2743547859     -2.3352020865
 C      2.3612438879     -2.4917217622     -1.3078416167
 C      2.7797336401     -2.4359882581     -0.0465384284
 C      2.7756484414     -2.1967284246      1.1477434825
 C      2.4984202167     -1.6457978161      2.3208506699
 C      1.7890881353     -1.0210443039      3.0927572360
18
# ORCA AIMD Position Step 1143, t=1143.00 fs, E_Pot=-685.24181794 Hartree, Unit is Angstrom
 C      0.9209256442     -0.0434036371      3.4697187261
 C      0.1382322862      0.8903076352      3.3913388021
 C     -0.9202764334      1.6126616155      3.0292579955
 C     -1.8461740161      2.0270655562      2.3320823124
 C     -2.5282253995      2.1716282834      1.1818508280
 C     -2.8817688687      2.2749328984      0.0161402863
 C     -2.9301800567      1.9200823788     -1.2705545804
 C     -2.5655085721      1.4303524504     -2.3325963595
 C     -1.8548779051      0.6590937211     -3.1997521349
 C     -1.0265200400     -0.1461795159     -3.5357943281
 C     -0.1097183141     -1.1116051766     -3.6004094790
 C      0.8408138541     -1.7683308023     -3.1803893561
 C      1.7753683330     -2.2681748568     -2.3307404086
 C      2.3575162671     -2.4929567416     -1.3173906150
 C      2.7755937941     -2.4444408705     -0.0482802496
 C      2.7690878302     -2.1986414351      1.1461204737
 C      2.4937817180     -1.6512473183      2.3235723928
 C      1.7885143804     -1.0215658333      3.0916205647
18
# ORCA AIMD Position Step 1144, t=1144.00 fs, E_Pot=-685.24280537 Hartree, Unit is Angstrom
 C      0.9197964743     -0.0474194642      3.4751510731
 C      0.1342870191      0.8827774707      3.3934725705
 C     -0.9247782819      1.6117564913      3.0280326869
 C     -1.8454140482      2.0342196531      2.3448887846
 C     -2.5190527921      2.1777326872      1.1832555721
 C     -2.8758665258      2.2700282790      0.0275450437
 C     -2.9261539678      1.9184305166     -1.2768495891
 C     -2.5649836661      1.4311487695     -2.3328993984
 C     -1.8604157520      0.6635288957     -3.2015780596
 C     -1.0244516140     -0.1459630284     -3.5430828338
 C     -0.1017628589     -1.1050269592     -3.6062998273
 C      0.8426764674     -1.7644892609     -3.1851443418
 C      1.7746783819     -2.2616126583     -2.3285076385
 C      2.3549103958     -2.4945155521     -1.3255040600
 C      2.7715390349     -2.4529939361     -0.0493091609
 C      2.7630404156     -2.2009384709      1.1435371069
 C      2.4886568983     -1.6565778803      2.3269935146
 C      1.7877760127     -1.0212992436      3.0906363847
18
# ORCA AIMD Position Step 1145, t=1145.00 fs, E_Pot=-685.24308345 Hartree, Unit is Angstrom
 C      0.9190301017     -0.0514275252      3.4804512600
 C      0.1305416426      0.8745700989      3.3960898055
 C     -0.9298395962      1.6112297652      3.0264750234
 C     -1.8442241688      2.0410935620      2.3575609186
 C     -2.5100359649      2.1843685514      1.1851390636
 C     -2.8701822102      2.2647654298      0.0386666671
 C     -2.9219644024      1.9168948287     -1.2834084041
 C     -2.5644562920      1.4319419755     -2.3331874711
 C     -1.8662300864      0.6682185077     -3.2030391930
 C     -1.0230222616     -0.1456135816     -3.5507273439
 C     -0.0924742011     -1.0991775111     -3.6117819111
 C      0.8442225677     -1.7604011079     -3.1899644206
 C      1.7721933022     -2.2545474770     -2.3290923399
 C      2.3538082954     -2.4965353527     -1.3314251261
 C      2.7675218674     -2.4616086501     -0.0497188878
 C      2.7574893074     -2.2036178082      1.1400322694
 C      2.4831421099     -1.6618682820      2.3309234260
 C      1.7868669956     -1.0202875752      3.0898733675
18
# ORCA AIMD Position Step 1146, t=1146.00 fs, E_Pot=-685.24294512 Hartree, Unit is Angstrom
 C      0.9185292029     -0.0553335627      3.4856232601
 C      0.1268514489      0.8658202124      3.3991478719
 C     -0.9347751336      1.6107281277      3.0250694830
 C     -1.8431406532      2.0479171615      2.3696037131
 C     -2.5010140076      2.1914815703      1.1880954164
 C     -2.8648868241      2.2590859155      0.0484547076
 C     -2.9177635402      1.9158077322     -1.2892543521
 C     -2.5638808184      1.4326400849     -2.3337472034
 C     -1.8716400203      0.6724932792     -3.2045426632
 C     -1.0227367889     -0.1446172883     -3.5584902434
 C     -0.0821804932     -1.0938497460     -3.6169640119
 C      0.8456583935     -1.7561911617     -3.1947833949
 C      1.7679228455     -2.2469906384     -2.3325557431
 C      2.3542982850     -2.4990581008     -1.3349354923
 C      2.7635089658     -2.4702723897     -0.0496818158
 C      2.7523983040     -2.2066212013      1.1358480415
 C      2.4773484418     -1.6672283705      2.3351098757
 C      1.7858033209     -1.0185994749      3.0893852096
18
# ORCA AIMD Position Step 1147, t=1147.00 fs, E_Pot=-685.24270122 Hartree, Unit is Angstrom
 C      0.9182101888     -0.0590612846      3.4906834912
 C      0.1230281617      0.8567046018      3.4025922318
 C     -0.9388873678      1.6098724775      3.0243021313
 C     -1.8426807358      2.0549332364      2.3805588343
 C     -2.4918846126      2.1990359414      1.1925396182
 C     -2.8601028215      2.2529484277      0.0561125358
 C     -2.9136879134      1.9154469769     -1.2935493785
 C     -2.5632217074      1.4331644736     -2.3348367224
 C     -1.8760918858      0.6758097618     -3.2064375791
 C     -1.0239028508     -0.1426529588     -3.5661859500
 C     -0.0713856176     -1.0886888471     -3.6220070570
 C      0.8472240836     -1.7520199284     -3.1995431016
 C      1.7622432872     -2.2391107636     -2.3383886887
 C      2.3561488830     -2.5020064805     -1.3363936658
 C      2.7594844592     -2.4789950366     -0.0494237870
 C      2.7477177660     -2.2098451410      1.1313922449
 C      2.4713857634     -1.6727788211      2.3392686834
 C      1.7846258711     -1.0163285343      3.0892022314
18
# ORCA AIMD Position Step 1148, t=1148.00 fs, E_Pot=-685.24256146 Hartree, Unit is Angstrom
 C      0.9180108203     -0.0625604163      3.4956568603
 C      0.1188661034      0.8474263106      3.4063653469
 C     -0.9416001700      1.6083315479      3.0245726284
 C     -1.8432233442      2.0623372985      2.3901051989
 C     -2.4826556883      2.2070191461      1.1985707882
 C     -2.8558670468      2.2463306873      0.0612299195
 C     -2.9098259644      1.9159884203     -1.2957096383
 C     -2.5624741931      1.4334771704     -2.3366121078
 C     -1.8792266458      0.6778204938     -3.2089677774
 C     -1.0265832542     -0.1396360674     -3.5737032822
 C     -0.0607053166     -1.0832421050     -3.6270984232
 C      0.8491402161     -1.7480477251     -3.2042172385
 C      1.7558208708     -2.2312127623     -2.3456450059
 C      2.3588849516     -2.5052030791     -1.3365916063
 C      2.7554471389     -2.4877990784     -0.0491857764
 C      2.7433922693     -2.2131635547      1.1271608528
 C      2.4653494508     -1.6786273503      2.3431195338
 C      1.7834024891     -1.0135943076      3.0893267453
18
# ORCA AIMD Position Step 1149, t=1149.00 fs, E_Pot=-685.24258823 Hartree, Unit is Angstrom
 C      0.9178933498     -0.0658051999      3.5005726748
 C      0.1141829809      0.8381785324      3.4104175409
 C     -0.9425863637      1.6058977619      3.0261148359
 C     -1.8449075670      2.0702249069      2.3981390176
 C     -2.4734694048      2.2154323987      1.2059088407
 C     -2.8521131875      2.2392409821      0.0638415122
 C     -2.9061956564      1.9174700200     -1.2954843126
 C     -2.5616752956      1.4336036733     -2.3390731493
 C     -1.8809155933      0.6784040709     -3.2122459592
 C     -1.0305980075     -0.1357082259     -3.5810138704
 C     -0.0507701304     -1.0770411265     -3.6324216296
 C      0.8515523106     -1.7443932034     -3.2088269030
 C      1.7494650808     -2.2236801409     -2.3531817468
 C      2.3619213430     -2.5084191670     -1.3365122403
 C      2.7514089979     -2.4967069473     -0.0491813414
 C      2.7393661728     -2.2164513966      1.1236513339
 C      2.4593047046     -1.6848447618      2.3464257719
 C      1.7822251998     -1.0105414329      3.0897254258
18
# ORCA AIMD Position Step 1150, t=1150.00 fs, E_Pot=-685.24270101 Hartree, Unit is Angstrom
 C      0.9178396446     -0.0687893257      3.5054587094
 C      0.1088358133      0.8291292824      3.4147144623
 C     -0.9418305598      1.6025274831      3.0289547025
 C     -1.8475810611      2.0785584180      2.4048073471
 C     -2.4645857176      2.2242781028      1.2139377746
 C     -2.8486850021      2.2317239809      0.0643755004
 C     -2.9027376980      1.9197892022     -1.2929640974
 C     -2.5609023868      1.4336325859     -2.3420542235
 C     -1.8812609593      0.6776665648     -3.2162458775
 C     -1.0355598853     -0.1312018491     -3.5881715271
 C     -0.0421286494     -1.0696783532     -3.6381192940
 C      0.8544945965     -1.7411018406     -3.2134485928
 C      1.7439772965     -2.2169051016     -2.3598894908
 C      2.3646956406     -2.5114265512     -1.3370914011
 C      2.7473819821     -2.5057277614     -0.0495615735
 C      2.7355883212     -2.2196103558      1.1212712368
 C      2.4532830160     -1.6914540061      2.3490146833
 C      1.7812064235     -1.0073348308      3.0903342645
18
# ORCA AIMD Position Step 1151, t=1151.00 fs, E_Pot=-685.24278531 Hartree, Unit is Angstrom
 C      0.9178422611     -0.0715184640      3.5103392911
 C      0.1027427398      0.8204034380      3.4192396892
 C     -0.9396231648      1.5983514119      3.0329197668
 C     -1.8508285873      2.0871612525      2.4104782276
 C     -2.4563337366      2.2335507200      1.2218352218
 C     -2.8453689431      2.2238630371      0.0635297068
 C     -2.8993317801      1.9227222184     -1.2885408812
 C     -2.5602590043      1.4337025276     -2.3452521285
 C     -1.8805720165      0.6759206722     -3.2208070867
 C     -1.0409308867     -0.1265867499     -3.5953033886
 C     -0.0351557172     -1.0608838558     -3.6442642916
 C      0.8578681042     -1.7381195548     -3.2182153055
 C      1.7400180460     -2.2112227273     -2.3648773300
 C      2.3667687853     -2.5140406186     -1.3390378746
 C      2.7433745835     -2.5148462580     -0.0503865833
 C      2.7320159964     -2.2225904893      1.1202600956
 C      2.4472785825     -1.6984231465      2.3507962049
 C      1.7804723656     -1.0041541467      3.0910643997
18
# ORCA AIMD Position Step 1152, t=1152.00 fs, E_Pot=-685.24281232 Hartree, Unit is Angstrom
 C      0.9178991153     -0.0740025050      3.5152314538
 C      0.0958948629      0.8120633839      3.4239970145
 C     -0.9364820755      1.5936391346      3.0376952580
 C     -1.8540711783      2.0957631958      2.4156454132
 C     -2.4490430030      2.2432229445      1.2287502649
 C     -2.8419411493      2.2157813726      0.0621139934
 C     -2.8958199434      1.9259671128     -1.2828170040
 C     -2.5598508437      1.4339690240     -2.3482922434
 C     -1.8793152676      0.6736312875     -3.2256649490
 C     -1.0461014585     -0.1223921990     -3.6025893915
 C     -0.0299948479     -1.0505716414     -3.6508438769
 C      0.8614587013     -1.7352958104     -3.2232903918
 C      1.7380114849     -2.2068570305     -2.3675945840
 C      2.3678821350     -2.5161498352     -1.3427295636
 C      2.7393863683     -2.5240142613     -0.0516154021
 C      2.7286152390     -2.2254021556      1.1206473118
 C      2.4412549415     -1.7056717329      2.3517639748
 C      1.7801461140     -1.0011780032      3.0918140499
18
# ORCA AIMD Position Step 1153, t=1153.00 fs, E_Pot=-685.24286713 Hartree, Unit is Angstrom
 C      0.9180062547     -0.0762524122      3.5201386908
 C      0.0883584412      0.8041053030      3.4290098675
 C     -0.9330379386      1.5887433519      3.0429045108
 C     -1.8567017295      2.1040599648      2.4208079159
 C     -2.4429782708      2.2532361302      1.2339728665
 C     -2.8382037125      2.2076343796      0.0609046992
 C     -2.8920362485      1.9291982182     -1.2764909269
 C     -2.5597647034      1.4345706081     -2.3508022002
 C     -1.8780300033      0.6713321831     -3.2304979091
 C     -1.0504855068     -0.1191207241     -3.6102293356
 C     -0.0265515842     -1.0388492780     -3.6577632560
 C      0.8649868999     -1.7324088003     -3.2288283735
 C      1.7380938142     -2.2038855784     -2.3678931104
 C      2.3679755101     -2.5177290424     -1.3481750875
 C      2.7354042741     -2.5331520297     -0.0531205337
 C      2.7253627398     -2.2281176535      1.1222488603
 C      2.4351555818     -1.7130808129      2.3519858634
 C      1.7803314806     -0.9985685183      3.0924802745
18
# ORCA AIMD Position Step 1154, t=1154.00 fs, E_Pot=-685.24305466 Hartree, Unit is Angstrom
 C      0.9181478369     -0.0782680876      3.5250551459
 C      0.0802753638      0.7964596141      3.4343192196
 C     -0.9299275920      1.5840369179      3.0481728969
 C     -1.8581962634      2.1117658631      2.4263567844
 C     -2.4382933771      2.2635207683      1.2370506049
 C     -2.8340170648      2.1995796334      0.0605392677
 C     -2.8878367856      1.9321029367     -1.2702606923
 C     -2.5600519064      1.4356114987     -2.3524625779
 C     -1.8772224799      0.6695304776     -3.2349855454
 C     -1.0536349052     -0.1171478459     -3.6183986907
 C     -0.0245138701     -1.0260067655     -3.6648609587
 C      0.8681608045     -1.7292027232     -3.2349421039
 C      1.7400933942     -2.2022302746     -2.3660410912
 C      2.3671885577     -2.5188402107     -1.3550240128
 C      2.7314067610     -2.5421515806     -0.0547021266
 C      2.7222461522     -2.2308625702      1.1246942209
 C      2.4289135086     -1.7205068045      2.3515868349
 C      1.7811080160     -0.9964615567      3.0929744488
18
# ORCA AIMD Position Step 1155, t=1155.00 fs, E_Pot=-685.24332013 Hartree, Unit is Angstrom
 C      0.9182878974     -0.0800319650      3.5299627687
 C      0.0718539445      0.7889952099      3.4399773930
 C     -0.9277121198      1.5798651040      3.0531816898
 C     -1.8581948987      2.1186593307      2.4325046987
 C     -2.4350136772      2.2739890870      1.2378453517
 C     -2.8293056056      2.1917697451      0.0614545997
 C     -2.8831175352      1.9344226348     -1.2647304174
 C     -2.5607233775      1.4371448468     -2.3530495838
 C     -1.8772536936      0.6685943731     -3.2388767092
 C     -1.0553462684     -0.1166256041     -3.6272014575
 C     -0.0234067006     -1.0124732470     -3.6719406619
 C      0.8707361901     -1.7254347494     -3.2416718043
 C      1.7435565246     -2.2016601482     -2.3626854975
 C      2.3658363013     -2.5196270175     -1.3626183716
 C      2.7273700235     -2.5508884699     -0.0561231253
 C      2.7192613267     -2.2338008257      1.1274821708
 C      2.4224639564     -1.7277969932      2.3507351018
 C      1.7825197670     -0.9949565125      3.0932304000
18
# ORCA AIMD Position Step 1156, t=1156.00 fs, E_Pot=-685.24345405 Hartree, Unit is Angstrom
 C      0.9183800426     -0.0815208202      3.5348328505
 C      0.0633349112      0.7815532286      3.4460395284
 C     -0.9268181661      1.5765021176      3.0576983356
 C     -1.8565335108      2.1246061626      2.4392529730
 C     -2.4330304376      2.2845469761      1.2365552730
 C     -2.8240649892      2.1843326656      0.0638359837
 C     -2.8778255678      1.9359755816     -1.2603390412
 C     -2.5617481882      1.4391669709     -2.3524536194
 C     -1.8782725393      0.6686858846     -3.2420318662
 C     -1.0557110167     -0.1174334218     -3.6366396791
 C     -0.0226711785     -0.9987507123     -3.6788036211
 C      0.8725576680     -1.7209123727     -3.2489773738
 C      1.7478177035     -2.2018247258     -2.3587632086
 C      2.3643629752     -2.5203016129     -1.3700805444
 C      2.7232685732     -2.5592386216     -0.0571566637
 C      2.7164124932     -2.2371096162      1.1300732589
 C      2.4157549466     -1.7348065719      2.3496083332
 C      1.7845704289     -0.9941091804      3.0932148998
18
# ORCA AIMD Position Step 1157, t=1157.00 fs, E_Pot=-685.24330529 Hartree, Unit is Angstrom
 C      0.9183708880     -0.0827097846      3.5396278792
 C      0.0549626474      0.7739666097      3.4525556093
 C     -0.9275032955      1.5741242666      3.0615975384
 C     -1.8532446870      2.1295740350      2.4464103573
 C     -2.4321229104      2.2951018395      1.2336713761
 C     -2.8183540004      2.1773627630      0.0676126810
 C     -2.8719591825      1.9366706775     -1.2573168954
 C     -2.5630569249      1.4416154681     -2.3506923311
 C     -1.8801961396      0.6697408538     -3.2444442484
 C     -1.0551204224     -0.1191762392     -3.6466036123
 C     -0.0217301660     -0.9853582187     -3.6852815131
 C      0.8735739400     -1.7155158026     -3.2567473118
 C      1.7521085883     -2.2023092342     -2.3553506176
 C      2.3632694215     -2.5211119646     -1.3764543326
 C      2.7190837899     -2.5670932452     -0.0576110793
 C      2.7137059304     -2.2409552238      1.1319663102
 C      2.4087547158     -1.7414165733      2.3483682508
 C      1.7872209854     -0.9939292522      3.0929294868
18
# ORCA AIMD Position Step 1158, t=1158.00 fs, E_Pot=-685.24296872 Hartree, Unit is Angstrom
 C      0.9182136339     -0.0835853398      3.5443062503
 C      0.0469442969      0.7660981205      3.4595589615
 C     -0.9298305999      1.5727830960      3.0648726346
 C     -1.8485366745      2.1336313760      2.4536318674
 C     -2.4319909606      2.3055752465      1.2299073936
 C     -2.8122859910      2.1709130218      0.0724687801
 C     -2.8655643181      1.9365078534     -1.2556648719
 C     -2.5645457662      1.4443729392     -2.3479111653
 C     -1.8827555927      0.6715123789     -3.2462210524
 C     -1.0541877714     -0.1212580643     -3.6568958635
 C     -0.0200616179     -0.9727673695     -3.6912575423
 C      0.8738386363     -1.7092094833     -3.2648178482
 C      1.7557003162     -2.2027083817     -2.3534635960
 C      2.3630074232     -2.5222931348     -1.3808908898
 C      2.7148062422     -2.5743707806     -0.0573553654
 C      2.7111458339     -2.2454719672      1.1327748768
 C      2.4014621421     -1.7475514744      2.3471305416
 C      1.7903906216     -0.9943765021      3.0924165460
18
# ORCA AIMD Position Step 1159, t=1159.00 fs, E_Pot=-685.24269423 Hartree, Unit is Angstrom
 C      0.9178846848     -0.0841608218      3.5488244124
 C      0.0394108135      0.7578752403      3.4670561922
 C     -0.9336546582      1.5723883872      3.0676420534
 C     -1.8427675299      2.1369434182      2.4604638021
 C     -2.4322913119      2.3159105477      1.2261102055
 C     -2.8060141084      2.1649954528      0.0778888833
 C     -2.8587297552      1.9355719985     -1.2551566083
 C     -2.5660805029      1.4472692427     -2.3443843578
 C     -1.8855807690      0.6736515334     -3.2475412262
 C     -1.0536166189     -0.1230041361     -3.6672718537
 C     -0.0172738717     -0.9613371372     -3.6966800965
 C      0.8735047237     -1.7020460066     -3.2729917372
 C      1.7580526095     -2.2027066553     -2.3538377830
 C      2.3638623295     -2.5240071663     -1.3828459989
 C      2.7104379268     -2.5810269978     -0.0563433415
 C      2.7087279355     -2.2507414976      1.1322902744
 C      2.3939155117     -1.7531925808      2.3459364946
 C      1.7939570387     -0.9953600385      3.0917602848
18
# ORCA AIMD Position Step 1160, t=1160.00 fs, E_Pot=-685.24258515 Hartree, Unit is Angstrom
 C      0.9173970936     -0.0844870056      3.5531381984
 C      0.0324007372      0.7493070897      3.4750219876
 C     -0.9386360053      1.5727124075      3.0701402783
 C     -1.8364057148      2.1397560890      2.4663984116
 C     -2.4326824956      2.3260745090      1.2231402175
 C     -2.7997092827      2.1595912127      0.0832529650
 C     -2.8515769570      1.9340164114     -1.2553807073
 C     -2.5675038725      1.4500894591     -2.3405011716
 C     -1.8882891624      0.6757948700     -3.2486044505
 C     -1.0540637508     -0.1237845317     -3.6774821464
 C     -0.0131667733     -0.9512661333     -3.7015666762
 C      0.8728124309     -1.6941648633     -3.2810533076
 C      1.7589257628     -2.2021428356     -2.3567578742
 C      2.3658598931     -2.5262920844     -1.3822396084
 C      2.7059937331     -2.5870586527     -0.0546246127
 C      2.7064378881     -2.2567812469      1.1305173836
 C      2.3861921708     -1.7583778466      2.3447454087
 C      1.7977616720     -0.9967434172      3.0910811016
18
# ORCA AIMD Position Step 1161, t=1161.00 fs, E_Pot=-685.24246380 Hartree, Unit is Angstrom
 C      0.9168097014     -0.0846583749      3.5572050926
 C      0.0258531801      0.7404940171      3.4833990160
 C     -0.9442852619      1.5734136978      3.0726918989
 C     -1.8299804013      2.1423693586      2.4709245710
 C     -2.4328668819      2.3360496364      1.2217521324
 C     -2.7935299523      2.1546666091      0.0879520828
 C     -2.8442463648      1.9320391579     -1.2558020229
 C     -2.5686470659      1.4525898893     -2.3367323387
 C     -1.8905651354      0.6776403393     -3.2495863845
 C     -1.0560103082     -0.1231269092     -3.6873124136
 C     -0.0077775937     -0.9425566245     -3.7060020853
 C      0.8720768854     -1.6857840758     -3.2887778065
 C      1.7584091465     -2.2010307127     -2.3620113812
 C      2.3687468697     -2.5290461515     -1.3794869831
 C      2.7014987347     -2.5925054075     -0.0523557576
 C      2.7042485141     -2.2635387295      1.1276850960
 C      2.3784043496     -1.7631975575      2.3434359863
 C      1.8016208647     -0.9983553692      3.0905264216
18
# ORCA AIMD Position Step 1162, t=1162.00 fs, E_Pot=-685.24208877 Hartree, Unit is Angstrom
 C      0.9162232771     -0.0848069727      3.5609857793
 C      0.0196304909      0.7316037485      3.4921081723
 C     -0.9500445664      1.5740915050      3.0756640273
 C     -1.8240128027      2.1450969272      2.4735877238
 C     -2.4326315238      2.3458214921      1.2224676292
 C     -2.7875882206      2.1501958128      0.0915330292
 C     -2.8368769911      1.9298489742     -1.2558606181
 C     -2.5693483485      1.4545242440     -2.3335733833
 C     -1.8922093184      0.6789976554     -3.2506052081
 C     -1.0596846040     -0.1207829962     -3.6966118458
 C     -0.0013872208     -0.9350093223     -3.7101285434
 C      0.8716690057     -1.6771857843     -3.2959403905
 C      1.7568664948     -2.1995337989     -2.3689713286
 C      2.3720449314     -2.5320515097     -1.3754096028
 C      2.6969843442     -2.5974480355     -0.0497967386
 C      2.7021224716     -2.2708999598      1.1242217700
 C      2.3706810112     -1.7677730580      2.3418353276
 C      1.8053423042     -1.0000090558      3.0902514959
18
# ORCA AIMD Position Step 1163, t=1163.00 fs, E_Pot=-685.24145106 Hartree, Unit is Angstrom
 C      0.9157636584     -0.0850844152      3.5644474974
 C      0.0135484848      0.7228406823      3.5010616708
 C     -0.9553964361      1.5743596319      3.0793986498
 C     -1.8189259081      2.1482090728      2.4740589838
 C     -2.4318766058      2.3553642122      1.2254826346
 C     -2.7819232824      2.1461825859      0.0938055260
 C     -2.8295849229      1.9276262373     -1.2550743813
 C     -2.5694749161      1.4556813060     -2.3314627199
 C     -1.8931646946      0.6798120268     -3.2517060477
 C     -1.0650311252     -0.1167528612     -3.7053108761
 C      0.0055194207     -0.9282565207     -3.7141276817
 C      0.8719800409     -1.6686835161     -3.3023304341
 C      1.7548188055     -2.1979057072     -2.3767775146
 C      2.3751660813     -2.5350303783     -1.3710386549
 C      2.6924817647     -2.6019993389     -0.0472927529
 C      2.7000155849     -2.2787080284      1.1206944002
 C      2.3631464665     -1.7722300109      2.3397579403
 C      1.8087496749     -1.0015312770      3.0903942365
18
# ORCA AIMD Position Step 1164, t=1164.00 fs, E_Pot=-685.24081160 Hartree, Unit is Angstrom
 C      0.9155555827     -0.0856364435      3.5675651971
 C      0.0074192816      0.7144070435      3.5101758894
 C     -0.9599748454      1.5739268253      3.0841381311
 C     -1.8149537980      2.1518695809      2.4722032524
 C     -2.4306248357      2.3646287911      1.2306315978
 C     -2.7764939700      2.1426754531      0.0948896568
 C     -2.8224453522      1.9254862472     -1.2531369900
 C     -2.5689435178      1.4559225344     -2.3306973055
 C     -1.8935194127      0.6801665312     -3.2528576278
 C     -1.0717321961     -0.1112658728     -3.7134263643
 C      0.0123413050     -0.9218368212     -3.7181918118
 C      0.8733723039     -1.6605782958     -3.3077695905
 C      1.7528184896     -2.1964228164     -2.3845317551
 C      2.3775320884     -2.5377044014     -1.3674051364
 C      2.6880171107     -2.6062875871     -0.0452359350
 C      2.6978824028     -2.2867903662      1.1177185875
 C      2.3558970411     -1.7766655625      2.3370532481
 C      1.8117052140     -1.0027920907      3.0910496641
18
# ORCA AIMD Position Step 1165, t=1165.00 fs, E_Pot=-685.24047486 Hartree, Unit is Angstrom
 C      0.9156929446     -0.0865765481      3.5703217375
 C      0.0010934406      0.7064683026      3.5193784538
 C     -0.9636416175      1.5726577426      3.0899677823
 C     -1.8120811236      2.1560881908      2.4681274625
 C     -2.4290070390      2.3735403979      1.2374253500
 C     -2.7711944665      2.1397698424      0.0951812291
 C     -2.8154828192      1.9234558683     -1.2499809384
 C     -2.5677352478      1.4552096597     -2.3313678246
 C     -1.8934883604      0.6802647186     -3.2539610925
 C     -1.0792644879     -0.1047325538     -3.7210556488
 C      0.0184777260     -0.9152927367     -3.7224870402
 C      0.8761169315     -1.6531063422     -3.3121337448
 C      1.7513512138     -2.1953317332     -2.3914483901
 C      2.3786645904     -2.5398397638     -1.3653748513
 C      2.6836087566     -2.6104328110     -0.0440070362
 C      2.6956824690     -2.2949883455      1.1158511346
 C      2.3489839701     -1.7811187900      2.3336469272
 C      1.8141261882     -1.0037289369      3.0922488474
18
# ORCA AIMD Position Step 1166, t=1166.00 fs, E_Pot=-685.24055984 Hartree, Unit is Angstrom
 C      0.9162126246     -0.0879634025      3.5727082333
 C     -0.0055068701      0.6991279670      3.5286103338
 C     -0.9665009997      1.5705929097      3.0967952323
 C     -1.8100393054      2.1607083786      2.4621897076
 C     -2.4272292251      2.3820080449      1.2451488733
 C     -2.7658869030      2.1375941686      0.0952499091
 C     -2.8086731396      1.9214696048     -1.2457887845
 C     -2.5658991672      1.4536145381     -2.3333344185
 C     -1.8933759117      0.6803947087     -3.2548698554
 C     -1.0869810104     -0.0976779317     -3.7283582601
 C      0.0234491182     -0.9082727453     -3.7271152155
 C      0.8803321299     -1.6463869042     -3.3153783584
 C      1.7507749415     -2.1948119974     -2.3969495884
 C      2.3782389572     -2.5412745196     -1.3655401198
 C      2.6792653192     -2.6145231296     -0.0439067615
 C      2.6933853586     -2.3031857008      1.1154798094
 C      2.3424057459     -1.7855535761      2.3295694903
 C      1.8159910699     -1.0043572384      3.0939487104
18
# ORCA AIMD Position Step 1167, t=1167.00 fs, E_Pot=-685.24093700 Hartree, Unit is Angstrom
 C      0.9170827675     -0.0897921531      3.5747239530
 C     -0.0123762569      0.6924203196      3.5378230328
 C     -0.9688473271      1.5679192736      3.1043771526
 C     -1.8083633169      2.1654386787      2.4549558344
 C     -2.4255309348      2.3899412543      1.2529949395
 C     -2.7604367497      2.1362847522      0.0956977029
 C     -2.8019565096      1.9193892589     -1.2409383998
 C     -2.5635420380      1.4513071267     -2.3362513689
 C     -1.8935211997      0.6808743224     -3.2554230562
 C     -1.0942018185     -0.0906631153     -3.7355279132
 C      0.0269844158     -0.9006017984     -3.7320869373
 C      0.8859464254     -1.6403885094     -3.3175497519
 C      1.7512806803     -2.1949519299     -2.4007268119
 C      2.3761127852     -2.5419346407     -1.3681537485
 C      2.6749860706     -2.6185947151     -0.0450972897
 C      2.6909715883     -2.3113300771      1.1167395466
 C      2.3361126391     -1.7898594798      2.3249587377
 C      1.8173317031     -1.0047647175      3.0960372378
18
# ORCA AIMD Position Step 1168, t=1168.00 fs, E_Pot=-685.24132036 Hartree, Unit is Angstrom
 C      0.9181939379     -0.0919899799      3.5763761533
 C     -0.0194289535      0.6863127377      3.5469758444
 C     -0.9710759972      1.5649113181      3.1123753488
 C     -1.8064827464      2.1699084376      2.4471242354
 C     -2.4241454541      2.3972710313      1.2601924999
 C     -2.7547414318      2.1359577284      0.0970224468
 C     -2.7952549819      1.9170421739     -1.2358986675
 C     -2.5608190888      1.4485317358     -2.3396266606
 C     -1.8942172853      0.6819746435     -3.2554982323
 C     -1.1003125613     -0.0842006746     -3.7427563209
 C      0.0290687244     -0.8923151534     -3.7373065678
 C      0.8926893220     -1.6349181494     -3.3187863615
 C      1.7528721345     -2.1957327320     -2.4027747924
 C      2.3723325595     -2.5418410028     -1.3731158353
 C      2.6707635386     -2.6226268712     -0.0475593357
 C      2.6884337169     -2.3194426641      1.1194759222
 C      2.3300194154     -1.7938722980      2.3200403129
 C      1.8182204952     -1.0050911497      3.0983557334
18
# ORCA AIMD Position Step 1169, t=1169.00 fs, E_Pot=-685.24139706 Hartree, Unit is Angstrom
 C      0.9193776404     -0.0944320547      3.5776822281
 C     -0.0265097015      0.6807113125      3.5560374781
 C     -0.9735959894      1.5618713328      3.1204237182
 C     -1.8038316780      2.1737409984      2.4394186429
 C     -2.4232616035      2.4039600175      1.2661172054
 C     -2.7487484190      2.1366896081      0.0995365254
 C     -2.7884865495      1.9142529020     -1.2311439543
 C     -2.5579063633      1.4455640765     -2.3429062244
 C     -1.8956410963      0.6838535594     -3.2550481493
 C     -1.1048705138     -0.0786593603     -3.7501854453
 C      0.0299116504     -0.8836210375     -3.7426006342
 C      0.9001480723     -1.6296699269     -3.3192991483
 C      1.7553867128     -2.1970375080     -2.4033568565
 C      2.3671157143     -2.5411026690     -1.3799964105
 C      2.6665802569     -2.6265500499     -0.0511256709
 C      2.6857758651     -2.3276110598      1.1232725059
 C      2.3240150483     -1.7973924534      2.3151073694
 C      1.8187527329     -1.0055076633      3.1007162578
18
# ORCA AIMD Position Step 1170, t=1170.00 fs, E_Pot=-685.24094171 Hartree, Unit is Angstrom
 C      0.9204214214     -0.0969584006      3.5786673040
 C     -0.0334312747      0.6754927459      3.5649778977
 C     -0.9767410829      1.5590574998      3.1281959515
 C     -1.7999343582      2.1766119497      2.4324889016
 C     -2.4229982206      2.4100069092      1.2703699582
 C     -2.7424582151      2.1385024339      0.1032936752
 C     -2.7815840393      1.9108853945     -1.2270301712
 C     -2.5549855849      1.4426812066     -2.3455490704
 C     -1.8977956479      0.6864978703     -3.2541484611
 C     -1.1076527492     -0.0742162946     -3.7578741431
 C      0.0298958278     -0.8748567650     -3.7477383075
 C      0.9078264438     -1.6242666078     -3.3193362739
 C      1.7584869639     -2.1986443494     -2.4030238827
 C      2.3608420545     -2.5399183674     -1.3880653299
 C      2.6624129396     -2.6302597881     -0.0554939740
 C      2.6830059189     -2.3359690279      1.1275241734
 C      2.3179938059     -1.8002334428      2.3104542590
 C      1.8190194682     -1.0061751901      3.1029431626
18
# ORCA AIMD Position Step 1171, t=1171.00 fs, E_Pot=-685.23993196 Hartree, Unit is Angstrom
 C      0.9210895234     -0.0993914966      3.5793622428
 C     -0.0399950715      0.6705196475      3.5737689435
 C     -0.9807271564      1.5566475812      3.1354485689
 C     -1.7944663429      2.1782906889      2.4268293145
 C     -2.4233839918      2.4154435550      1.2728191928
 C     -2.7359222992      2.1413624422      0.1080973280
 C     -2.7745034231      1.9068616091     -1.2237521684
 C     -2.5522233008      1.4401276418     -2.3470929603
 C     -1.9004968423      0.6897122489     -3.2530045862
 C     -1.1086850383     -0.0708307113     -3.7657783422
 C      0.0294964700     -0.8664148578     -3.7524749136
 C      0.9152245614     -1.6183277112     -3.3191482578
 C      1.7617087531     -2.2002538047     -2.4025363010
 C      2.3540053111     -2.5385537945     -1.3963918065
 C      2.6582353520     -2.6336405644     -0.0602917745
 C      2.6801313166     -2.3446661685      1.1315505127
 C      2.3118697354     -1.8022478185      2.3063359844
 C      1.8190941248     -1.0072256069      3.1048944800
18
# ORCA AIMD Position Step 1172, t=1172.00 fs, E_Pot=-685.23866551 Hartree, Unit is Angstrom
 C      0.9211554143     -0.1015631612      3.5798025893
 C     -0.0460207935      0.6656656376      3.5823827986
 C     -0.9856316134      1.5547167265      3.1420478118
 C     -1.7872878177      2.1786659402      2.4227235678
 C     -2.4243509163      2.4203241680      1.2736113179
 C     -2.7292321801      2.1451845634      0.1135270870
 C     -2.7672288176      1.9021689388     -1.2213254133
 C     -2.5497556302      1.4380962136     -2.3471917375
 C     -1.9034076364      0.6931520432     -3.2519304678
 C     -1.1081994223     -0.0682777339     -3.7737600466
 C      0.0291915197     -0.8586723485     -3.7565891866
 C      0.9219032604     -1.6115222550     -3.3189586658
 C      1.7645315692     -2.2015291291     -2.4027541754
 C      2.3471464830     -2.5373074852     -1.4039658550
 C      2.6540204931     -2.6365851712     -0.0651397477
 C      2.6771507047     -2.3538377002      1.1347033993
 C      2.3055930604     -1.8033509082      2.3029298276
 C      1.8190181582     -1.0087428944      3.1064751870
18
# ORCA AIMD Position Step 1173, t=1173.00 fs, E_Pot=-685.23770072 Hartree, Unit is Angstrom
 C      0.9204227740     -0.1033316413      3.5800249079
 C     -0.0513671496      0.6608343832      3.5907877979
 C     -0.9913856931      1.5532275290      3.1479805787
 C     -1.7784538560      2.1777512545      2.4202249224
 C     -2.4257383012      2.4247174567      1.2731457219
 C     -2.7225094375      2.1498425810      0.1190023520
 C     -2.7597752015      1.8968617044     -1.2196005357
 C     -2.5476710618      1.4367034822     -2.3456568389
 C     -1.9061072969      0.6963948643     -3.2512934167
 C     -1.1065669587     -0.0662096781     -3.7816145341
 C      0.0293973489     -0.8519428861     -3.7599087622
 C      0.9275247610     -1.6036045740     -3.3189450316
 C      1.7664721805     -2.2021516393     -2.4044861535
 C      2.3407620316     -2.5364623124     -1.4098705080
 C      2.6497447863     -2.6390108501     -0.0696929432
 C      2.6740492530     -2.3635739990      1.1364655021
 C      2.2991637361     -1.8035405873      2.3002999776
 C      1.8187933124     -1.0107500068      3.1076492665
18
# ORCA AIMD Position Step 1174, t=1174.00 fs, E_Pot=-685.23757003 Hartree, Unit is Angstrom
 C      0.9187451140     -0.1045950923      3.5800657734
 C     -0.0559434121      0.6559731348      3.5989461947
 C     -0.9977795254      1.5520328936      3.1533541062
 C     -1.7682068867      2.1756830502      2.4191709718
 C     -2.4273148627      2.4286947931      1.2720013333
 C     -2.7158933005      2.1551820861      0.1238586482
 C     -2.7521897885      1.8910583624     -1.2182866148
 C     -2.5460019757      1.4359766169     -2.3424773688
 C     -1.9081670241      0.6990165377     -3.2514545966
 C     -1.1042140539     -0.0642355290     -3.7891067362
 C      0.0304166771     -0.8464407680     -3.7623277139
 C      0.9318677047     -1.5944326003     -3.3192358895
 C      1.7671973408     -2.2018886618     -2.4082989168
 C      2.3352045287     -2.5362261796     -1.4134690681
 C      2.6453927634     -2.6408674464     -0.0736701798
 C      2.6707964595     -2.3738977521      1.1365124125
 C      2.2926392440     -1.8029046236      2.2983853489
 C      1.8183811621     -1.0132074815      3.1084385962
18
# ORCA AIMD Position Step 1175, t=1175.00 fs, E_Pot=-685.23836881 Hartree, Unit is Angstrom
 C      0.9160545182     -0.1053133779      3.5799568459
 C     -0.0597275361      0.6510918718      3.6068098484
 C     -1.0044696886      1.5508811994      3.1583899204
 C     -1.7569602454      2.1727126251      2.4192103507
 C     -2.4288092477      2.4323182541      1.2708447517
 C     -2.7095245428      2.1610373083      0.1274450005
 C     -2.7445529349      1.8849349981     -1.2169907145
 C     -2.5447095936      1.4358368949     -2.3378454799
 C     -1.9092327025      0.7006713360     -3.2526970903
 C     -1.1015412181     -0.0619966787     -3.7960066296
 C      0.0323946512     -0.8422526392     -3.7638194753
 C      0.9348426899     -1.5839869976     -3.3199005389
 C      1.7666074178     -2.2006480805     -2.4143660546
 C      2.3306038109     -2.5366821447     -1.4145574049
 C      2.6409623500     -2.6421425272     -0.0768799812
 C      2.6673457725     -2.3847472464      1.1347595016
 C      2.2861380129     -1.8016208324      2.2969973662
 C      1.8177008880     -1.0160097449      3.1089209981
18
# ORCA AIMD Position Step 1176, t=1176.00 fs, E_Pot=-685.23967200 Hartree, Unit is Angstrom
 C      0.9123935903     -0.1055346436      3.5797195678
 C     -0.0628022991      0.6462901663      3.6143176318
 C     -1.0109911995      1.5494208309      3.1634180455
 C     -1.7452606828      2.1691894965      2.4198456347
 C     -2.4299496870      2.4356272404      1.2703097891
 C     -2.7035220894      2.1672469914      0.1292049088
 C     -2.7369747314      1.8787217400     -1.2152212783
 C     -2.5436854318      1.4361004965     -2.3321562720
 C     -1.9090861360      0.7011525371     -3.2551771346
 C     -1.0988235687     -0.0592469195     -3.8021250261
 C      0.0352486537     -0.8392936454     -3.7644560412
 C      0.9365131461     -1.5723849582     -3.3209411083
 C      1.7648719551     -2.1985068280     -2.4223982819
 C      2.3268433290     -2.5377654629     -1.4134077746
 C      2.6364595931     -2.6428671709     -0.0792749562
 C      2.6636370532     -2.3959685292      1.1313949640
 C      2.2798320465     -1.7999509488      2.2958310302
 C      1.8166317972     -1.0189860839      3.1092264287
18
# ORCA AIMD Position Step 1177, t=1177.00 fs, E_Pot=-685.24068690 Hartree, Unit is Angstrom
 C      0.9078862215     -0.1053676760      3.5793719518
 C     -0.0652878656      0.6416876958      3.6214237217
 C     -1.0168833405      1.5473016713      3.1687977129
 C     -1.7336856108      2.1654919303      2.4205378563
 C     -2.4305132605      2.4386327540      1.2708467623
 C     -2.6979596023      2.1737045135      0.1288959514
 C     -2.7295651460      1.8726368309     -1.2125864772
 C     -2.5427600119      1.4364966780     -2.3259494132
 C     -1.9076767490      0.7004315615     -3.2588735249
 C     -1.0962570254     -0.0558295920     -3.8073447971
 C      0.0387736625     -0.8373708705     -3.7643793568
 C      0.9370794556     -1.5598595207     -3.3222930520
 C      1.7623639587     -2.1956739682     -2.4317381586
 C      2.3235926381     -2.5392816603     -1.4107477498
 C      2.6319042532     -2.6431086331     -0.0808677559
 C      2.6596110303     -2.4073548893      1.1267937838
 C      2.2739019853     -1.7981825302      2.2945460827
 C      1.8150475513     -1.0219516545      3.1094928215
18
# ORCA AIMD Position Step 1178, t=1178.00 fs, E_Pot=-685.24088848 Hartree, Unit is Angstrom
 C      0.9027616285     -0.1050088987      3.5789204425
 C     -0.0674004911      0.6374704743      3.6280903913
 C     -1.0217093238      1.5441816093      3.1748859393
 C     -1.7227706021      2.1619839840      2.4207757653
 C     -2.4303528649      2.4413063788      1.2726480572
 C     -2.6928440149      2.1803606559      0.1265614999
 C     -2.7224288999      1.8668874150     -1.2087357273
 C     -2.5417268165      1.4367108014     -2.3198335936
 C     -1.9051349391      0.6986543812     -3.2636138635
 C     -1.0938407828     -0.0517555278     -3.8116362675
 C      0.0425401678     -0.8361183070     -3.7638266475
 C      0.9368997745     -1.5467590848     -3.3238148525
 C      1.7595784023     -2.1924449299     -2.4415066094
 C      2.3204068036     -2.5409585532     -1.4075295215
 C      2.6273146110     -2.6429686563     -0.0818361658
 C      2.6552027160     -2.4186567929      1.1215287982
 C      2.2685236659     -1.7966087895      2.2927900699
 C      1.8128161209     -1.0247160049      3.1098550219
18
# ORCA AIMD Position Step 1179, t=1179.00 fs, E_Pot=-685.24022720 Hartree, Unit is Angstrom
 C      0.8973094952     -0.1047035697      3.5783643046
 C     -0.0693915916      0.6338363394      3.6343038725
 C     -1.0251695231      1.5398270300      3.1819397266
 C     -1.7129105232      2.1589333276      2.4201853892
 C     -2.4294092270      2.4435858796      1.2756152209
 C     -2.6881166018      2.1872393667      0.1225837596
 C     -2.7156437958      1.8616191289     -1.2034921136
 C     -2.5403779981      1.4364366426     -2.3143765192
 C     -1.9017384500      0.6961132443     -3.2690965109
 C     -1.0914254296     -0.0471702066     -3.8150586378
 C      0.0459856901     -0.8350627922     -3.7630947446
 C      0.9364506882     -1.5335086357     -3.3253024420
 C      1.7570141976     -2.1891271478     -2.4508009018
 C      2.3168269777     -2.5425084856     -1.4047455466
 C      2.6227029274     -2.6425700766     -0.0824693964
 C      2.6503564225     -2.4296186948      1.1162683132
 C      2.2638282616     -1.7954677942      2.2902762272
 C      1.8098328540     -1.0271364217      3.1103992718
18
# ORCA AIMD Position Step 1180, t=1180.00 fs, E_Pot=-685.23912529 Hartree, Unit is Angstrom
 C      0.8918401152     -0.1047158375      3.5776997867
 C     -0.0715045676      0.6309641679      3.6400766591
 C     -1.0271681544      1.5341764610      3.1900402901
 C     -1.7042954517      2.1564546624      2.4186074850
 C     -2.4277005323      2.4453867139      1.2794063551
 C     -2.6836691805      2.1944262576      0.1176161826
 C     -2.7092507183      1.8568880791     -1.1969124160
 C     -2.5385335238      1.4354274053     -2.3099992686
 C     -1.8978783388      0.6932061994     -3.2749336585
 C     -1.0887457850     -0.0423210089     -3.8177485363
 C      0.0485031097     -0.8336952403     -3.7625018903
 C      0.9362677176     -1.5205645096     -3.3265156428
 C      1.7550871444     -2.1859812991     -2.4588488021
 C      2.3124647159     -2.5436772210     -1.4032518314
 C      2.6180733384     -2.6420385982     -0.0831301983
 C      2.6450250985     -2.4400073763      1.1116853573
 C      2.2598795519     -1.7949051004      2.2868344442
 C      1.8060438238     -1.0291497830      3.1111301111
18
# ORCA AIMD Position Step 1181, t=1181.00 fs, E_Pot=-685.23817284 Hartree, Unit is Angstrom
 C      0.8866376788     -0.1052890836      3.5769245265
 C     -0.0739274451      0.6289770073      3.6454440535
 C     -1.0278370995      1.5273712935      3.1990559383
 C     -1.6968964671      2.1544860345      2.4161276134
 C     -2.4252968344      2.4466228722      1.2835352312
 C     -2.6793714820      2.2020412021      0.1124657810
 C     -2.7032518300      1.8526540723     -1.1893099223
 C     -2.5360623879      1.4335287217     -2.3069078574
 C     -1.8940031612      0.6903817900     -3.2807007187
 C     -1.0854819841     -0.0375082324     -3.8198974323
 C      0.0495562449     -0.8315625944     -3.7623402220
 C      0.9368559128     -1.5083482020     -3.3272188577
 C      1.7540740212     -2.1831821130     -2.4651078049
 C      2.3070601885     -2.5442804102     -1.4036448823
 C      2.6134185170     -2.6414864470     -0.0841924972
 C      2.6391788653     -2.4496296867      1.1083548220
 C      2.2566615064     -1.7949518681      2.2824413108
 C      1.8014602077     -1.0307936167      3.1119565193
18
# ORCA AIMD Position Step 1182, t=1182.00 fs, E_Pot=-685.23783647 Hartree, Unit is Angstrom
 C      0.8819173942     -0.1066079198      3.5760414059
 C     -0.0767464774      0.6279109961      3.6504594711
 C     -1.0275065409      1.5197400297      3.2086568725
 C     -1.6905067289      2.1528140860      2.4130458705
 C     -2.4222909679      2.4472246719      1.2874889447
 C     -2.6750984213      2.2102069412      0.1079570706
 C     -2.6976167036      1.8487913374     -1.1812205205
 C     -2.5328923994      1.4306893278     -2.3050822221
 C     -1.8905525764      0.6880744343     -3.2859915499
 C     -1.0813402841     -0.0330211300     -3.8217123996
 C      0.0488011611     -0.8283633873     -3.7628179978
 C      0.9385925936     -1.4971762432     -3.3272352600
 C      1.7540895879     -2.1807987923     -2.4693140953
 C      2.3005101415     -2.5442232661     -1.4061941924
 C      2.6087198611     -2.6409985826     -0.0859696316
 C      2.6328073293     -2.4583469198      1.1066621455
 C      2.2540833471     -1.7955285311      2.2772190573
 C      1.7961595306     -1.0321991575      3.1126971623
18
# ORCA AIMD Position Step 1183, t=1183.00 fs, E_Pot=-685.23818485 Hartree, Unit is Angstrom
 C      0.8777972808     -0.1087704262      3.5750644324
 C     -0.0799187583      0.6276962502      3.6551888558
 C     -1.0266415078      1.5117447447      3.2183744453
 C     -1.6848168038      2.1511322779      2.4097978729
 C     -2.4187710593      2.4471508923      1.2908310154
 C     -2.6707523351      2.2190185742      0.1048008215
 C     -2.6922958977      1.8451209504     -1.1733137004
 C     -2.5290088994      1.4269539947     -2.3043111689
 C     -1.8878864719      0.6866364033     -3.2904709910
 C     -1.0761379946     -0.0290661514     -3.8233747355
 C      0.0461852119     -0.8240213128     -3.7640192111
 C      0.9416429185     -1.4872070734     -3.3264924000
 C      1.7550848105     -2.1787915783     -2.4714947488
 C      2.2928777583     -2.5435106256     -1.4108194010
 C      2.6039486114     -2.6406217927     -0.0886468502
 C      2.6259209350     -2.4660826769      1.1067358236
 C      2.2519950143     -1.7964672267      2.2714101917
 C      1.7902798064     -1.0335687441      3.1131067758
18
# ORCA AIMD Position Step 1184, t=1184.00 fs, E_Pot=-685.23884145 Hartree, Unit is Angstrom
 C      0.8742853487     -0.1117802332      3.5740161695
 C     -0.0832658592      0.6281525770      3.6597042234
 C     -1.0257583799      1.5039054308      3.2276857437
 C     -1.6794975539      2.1491151484      2.4068586521
 C     -2.4147979725      2.4463929523      1.2932812086
 C     -2.6662765805      2.2285170486      0.1034761241
 C     -2.6872328920      1.8414523066     -1.1662704856
 C     -2.5244444282      1.4224386823     -2.3042548510
 C     -1.8862283981      0.6862822944     -3.2939208474
 C     -1.0698756346     -0.0257032630     -3.8250033544
 C      0.0420016449     -0.8187176362     -3.7658865423
 C      0.9459173903     -1.4784165783     -3.3250378971
 C      1.7568509414     -2.1770118095     -2.4719685778
 C      2.2843869450     -2.5422493701     -1.4170961494
 C      2.5990739389     -2.6403645713     -0.0922394914
 C      2.6185505009     -2.4728247494      1.1084172778
 C      2.2502134803     -1.7975454970      2.2653426956
 C      1.7839895372     -1.0351353535      3.1129139781
18
# ORCA AIMD Position Step 1185, t=1185.00 fs, E_Pot=-685.23917407 Hartree, Unit is Angstrom
 C      0.8712885568     -0.1155549733      3.5729288782
 C     -0.0865027729      0.6290129864      3.6640777970
 C     -1.0253428956      1.4967210510      3.2360996447
 C     -1.6742696428      2.1464819190      2.4046509721
 C     -2.4103893799      2.4449736406      1.2947623169
 C     -2.6616597201      2.2386740223      0.1041484597
 C     -2.6823724528      1.8376250704     -1.1606515251
 C     -2.5192667530      1.4173039830     -2.3045168578
 C     -1.8856235668      0.6870578836     -3.2962712619
 C     -1.0627735317     -0.0228149519     -3.8266313817
 C      0.0368549963     -0.8128621913     -3.7682375521
 C      0.9510988312     -1.4706152292     -3.3230337203
 C      1.7590450595     -2.1752148635     -2.4713168369
 C      2.2753985787     -2.5406421030     -1.4243003609
 C      2.5940616973     -2.6402018433     -0.0965873901
 C      2.6107418074     -2.4786212025      1.1112833572
 C      2.2485488303     -1.7985292313      2.2593736156
 C      1.7774606987     -1.0371221194      3.1118667420
18
# ORCA AIMD Position Step 1186, t=1186.00 fs, E_Pot=-685.23872598 Hartree, Unit is Angstrom
 C      0.8686410456     -0.1199521953      3.5718399668
 C     -0.0892925557      0.6299668322      3.6683766221
 C     -1.0257845176      1.4905988826      3.2432289833
 C     -1.6689500721      2.1430365576      2.4034791831
 C     -2.4055097849      2.4429416737      1.2954061002
 C     -2.6569314544      2.2493894963      0.1066453900
 C     -2.6776654970      1.8335455118     -1.1568022664
 C     -2.5135649516      1.4117264851     -2.3047063135
 C     -1.8859407170      0.6888415572     -3.2976025491
 C     -1.0552512330     -0.0201125755     -3.8282075367
 C      0.0315551066     -0.8070069539     -3.7708128367
 C      0.9567249809     -1.4635068189     -3.3207168271
 C      1.7612373667     -2.1730897502     -2.4703082213
 C      2.2663620649     -2.5389624705     -1.4315064393
 C      2.5888740184     -2.6400857453     -0.1013899270
 C      2.6025470996     -2.4835688762      1.1147220798
 C      2.2468260988     -1.7992126628      2.2538347155
 C      1.7708438828     -1.0397091654      3.1097692928
18
# ORCA AIMD Position Step 1187, t=1187.00 fs, E_Pot=-685.23760572 Hartree, Unit is Angstrom
 C      0.8661391967     -0.1247994955      3.5707880779
 C     -0.0913048678      0.6307077753      3.6726550609
 C     -1.0273270797      1.4858027194      3.2488384133
 C     -1.6634727305      2.1386905714      2.4034951872
 C     -2.4000753219      2.4403627316      1.2955208598
 C     -2.6521528795      2.2605018953      0.1104944865
 C     -2.6730740497      1.8292023265     -1.1548159996
 C     -2.5074378394      1.4058776594     -2.3044817579
 C     -1.8869088177      0.6913847370     -3.2981167158
 C     -1.0478591887     -0.0171917577     -3.8296189703
 C      0.0269700371     -0.8017396490     -3.7733341828
 C      0.9622934284     -1.4567593752     -3.3183521339
 C      1.7629838565     -2.1703064717     -2.4697727338
 C      2.2577422950     -2.5375141239     -1.4377359434
 C      2.5834693387     -2.6399607427     -0.1062643884
 C      2.5940205375     -2.4877913671      1.1180372035
 C      2.2449079917     -1.7994472465      2.2489880007
 C      1.7642441439     -1.0430096775      3.1065065598
18
# ORCA AIMD Position Step 1188, t=1188.00 fs, E_Pot=-685.23650928 Hartree, Unit is Angstrom
 C      0.8635793762     -0.1299247043      3.5698090773
 C     -0.0922733143      0.6309814341      3.6769478303
 C     -1.0300403120      1.4824252908      3.2528670861
 C     -1.6578897551      2.1334671512      2.4046927484
 C     -2.3939702120      2.4373099932      1.2955261804
 C     -2.6474047550      2.2718063702      0.1150153159
 C     -2.6685736970      1.8246674964     -1.1545520245
 C     -2.5009876305      1.3999115198     -2.3035748131
 C     -1.8881786677      0.6943684673     -3.2980944503
 C     -1.0411761709     -0.0136156989     -3.8307234407
 C      0.0238799974     -0.7975794240     -3.7755585792
 C      0.9673507483     -1.4500694880     -3.3161907623
 C      1.7639126108     -2.1665802999     -2.4704363677
 C      2.2499382690     -2.5365716848     -1.4421382206
 C      2.5778083058     -2.6397752336     -0.1108053635
 C      2.5852124828     -2.4914155189      1.1205543050
 C      2.2427084149     -1.7991643583      2.2449950832
 C      1.7577114624     -1.0470581124      3.1020543143
18
# ORCA AIMD Position Step 1189, t=1189.00 fs, E_Pot=-685.23623383 Hartree, Unit is Angstrom
 C      0.8607906487     -0.1351785265      3.5689341167
 C     -0.0920371938      0.6306215963      3.6812618684
 C     -1.0338059090      1.4803785335      3.2554342684
 C     -1.6523641234      2.1274994910      2.4069171908
 C     -2.3870758635      2.4338558392      1.2958643942
 C     -2.6427724394      2.2830750146      0.1194443842
 C     -2.6641582760      1.8200844552     -1.1556857543
 C     -2.4943181341      1.3939615216     -2.3018040872
 C     -1.8893874796      0.6974597942     -3.2978454439
 C     -1.0357004324     -0.0090086931     -3.8313837435
 C      0.0228539350     -0.7948917969     -3.7773149768
 C      0.9715505660     -1.4432071671     -3.3144438220
 C      1.7638106165     -2.1617432702     -2.4727469279
 C      2.2432055499     -2.5363188479     -1.4441719506
 C      2.5718615765     -2.6394921074     -0.1146340290
 C      2.5761705747     -2.4945490158      1.1217088863
 C      2.2402017758     -1.7983868071      2.2418986697
 C      1.7512404035     -1.0518033744      3.0964852806
18
# ORCA AIMD Position Step 1190, t=1190.00 fs, E_Pot=-685.23706932 Hartree, Unit is Angstrom
 C      0.8576599546     -0.1404491487      3.5681857470
 C     -0.0905659451      0.6295702316      3.6855715992
 C     -1.0383227128      1.4794030329      3.2568321242
 C     -1.6471543406      2.1210230264      2.4098829549
 C     -2.3793065254      2.4300678545      1.2968978667
 C     -2.6383313840      2.2940778730      0.1230784423
 C     -2.6598424133      1.8156508826     -1.1577738571
 C     -2.4875359365      1.3881382760     -2.2990842550
 C     -1.8902152463      0.7003611227     -3.2976621171
 C     -1.0317556834     -0.0031397782     -3.8314949685
 C      0.0241622317     -0.7938276001     -3.7785270146
 C      0.9746825610     -1.4360456152     -3.3132658351
 C      1.7626853311     -2.1558014569     -2.4767414478
 C      2.2376038463     -2.5367970315     -1.4437436245
 C      2.5656211360     -2.6390958279     -0.1174363614
 C      2.5669454775     -2.4972617572      1.1211152528
 C      2.2374258812     -1.7972343209      2.2396186685
 C      1.7447771705     -1.0571089000      3.0899691970
18
# ORCA AIMD Position Step 1191, t=1191.00 fs, E_Pot=-685.23850387 Hartree, Unit is Angstrom
 C      0.8541580517     -0.1456817252      3.5675772043
 C     -0.0879770411      0.6278911533      3.6898242150
 C     -1.0431283309      1.4790888208      3.2575100814
 C     -1.6425883769      2.1143597497      2.4132008097
 C     -2.3706417504      2.4260058415      1.2988104043
 C     -2.6341290728      2.3046009256      0.1253885677
 C     -2.6556599943      1.8116013906     -1.1602978662
 C     -2.4807431769      1.3825219993     -2.2954327915
 C     -1.8904389585      0.7028575855     -3.2977723442
 C     -1.0294152943      0.0040119290     -3.8310101153
 C      0.0277151748     -0.7942815228     -3.7792275384
 C      0.9766981510     -1.4285752705     -3.3127416572
 C      1.7607705371     -2.1489523848     -2.4820236592
 C      2.2329949686     -2.5378917733     -1.4412232853
 C      2.5590996566     -2.6385956270     -0.1190034685
 C      2.5575878173     -2.4995732385      1.1186131603
 C      2.2344856067     -1.7959259148      2.2379462525
 C      1.7382234349     -1.0627547998      3.0827657144
18
# ORCA AIMD Position Step 1192, t=1192.00 fs, E_Pot=-685.23956099 Hartree, Unit is Angstrom
 C      0.8503350000     -0.1508831866      3.5671087058
 C     -0.0845084493      0.6257477770      3.6939529443
 C     -1.0476713903      1.4789368406      3.2580171422
 C     -1.6390096669      2.1078715961      2.4164378326
 C     -2.3611439538      2.4217191029      1.3015402837
 C     -2.6301650467      2.3144752823      0.1261223724
 C     -2.6516570939      1.8081762685     -1.1627299620
 C     -2.4740253989      1.3771536579     -2.2909658325
 C     -1.8899648347      0.7048463158     -3.2983071526
 C     -1.0284882247      0.0122532951     -3.8299544154
 C      0.0330762175     -0.7959005019     -3.7795573905
 C      0.9777180435     -1.4209004685     -3.3128752920
 C      1.7584744732     -2.1415473482     -2.4878535681
 C      2.2290817332     -2.5393575031     -1.4373618409
 C      2.5523276869     -2.6380271256     -0.1192685897
 C      2.5481442820     -2.5014572080      1.1142893307
 C      2.2315323544     -1.7947516399      2.2365746800
 C      1.7314461585     -1.0684679329      3.0751978529
18
# ORCA AIMD Position Step 1193, t=1193.00 fs, E_Pot=-685.23948157 Hartree, Unit is Angstrom
 C      0.8463116819     -0.1561253250      3.5667688154
 C     -0.0804865577      0.6233781717      3.6978926145
 C     -1.0513944329      1.4784346323      3.2589219931
 C     -1.6367143245      2.1018990854      2.4192010117
 C     -2.3509586202      2.4172487355      1.3047648443
 C     -2.6263837097      2.3235872418      0.1253175975
 C     -2.6478814841      1.8056000879     -1.1645754001
 C     -2.4674418725      1.3720331556     -2.2858709457
 C     -1.8888456054      0.7063528502     -3.2992815661
 C     -1.0285416427      0.0212033024     -3.8284318267
 C      0.0395186317     -0.7981260163     -3.7797549056
 C      0.9780316817     -1.4132279202     -3.3135837981
 C      1.7562844892     -2.1340130441     -2.4933290983
 C      2.2254886768     -2.5408783112     -1.4330962791
 C      2.5453402564     -2.6374504795     -0.1183422472
 C      2.5386473623     -2.5028472362      1.1084670807
 C      2.2287375870     -1.7940334985      2.2351445922
 C      1.7242936199     -1.0739627930      3.0676029487
18
# ORCA AIMD Position Step 1194, t=1194.00 fs, E_Pot=-685.23821977 Hartree, Unit is Angstrom
 C      0.8422506308     -0.1615271259      3.5665390848
 C     -0.0762719004      0.6210530462      3.7015921119
 C     -1.0538315651      1.4771504570      3.2607063313
 C     -1.6358876416      2.0966914316      2.4212302559
 C     -2.3402964550      2.4126327440      1.3079546916
 C     -2.6226815198      2.3318764367      0.1232554256
 C     -2.6443742304      1.8040609965     -1.1654190581
 C     -2.4610220647      1.3671259164     -2.2803748168
 C     -1.8872710324      0.7075240685     -3.3005940702
 C     -1.0289810530      0.0303619294     -3.8266163234
 C      0.0461485294     -0.8002834278     -3.7801258204
 C      0.9780659533     -1.4058433449     -3.3147035982
 C      1.7546638287     -2.1267615744     -2.4975836634
 C      2.2218474646     -2.5421369501     -1.4293422094
 C      2.5381673539     -2.6369462843     -0.1165241196
 C      2.5291131520     -2.5036487018      1.1016661036
 C      2.2262593599     -1.7940749216      2.2333073140
 C      1.7166233007     -1.0789907154      3.0602807658
18
# ORCA AIMD Position Step 1195, t=1195.00 fs, E_Pot=-685.23647450 Hartree, Unit is Angstrom
 C      0.8383235328     -0.1672272305      3.5664002860
 C     -0.0722063181      0.6190327180      3.7050218702
 C     -1.0546865835      1.4748120864      3.2636706445
 C     -1.6365569456      2.0923516557      2.4224741577
 C     -2.3294064115      2.4079125917      1.3104661370
 C     -2.6189267212      2.3393223338      0.1203663182
 C     -2.6411627777      1.8036960953     -1.1649626887
 C     -2.4547730847      1.3623814638     -2.2746959285
 C     -1.8855330634      0.7085968663     -3.3020503542
 C     -1.0291458053      0.0391876468     -3.8247316327
 C      0.0520467179     -0.8016842819     -3.7809991130
 C      0.9783237091     -1.3990733449     -3.3160160263
 C      1.7539746859     -2.1201226930     -2.4999301723
 C      2.2178633222     -2.5428688929     -1.4268314426
 C      2.5308261912     -2.6366089713     -0.1142940967
 C      2.5195451692     -2.5037540408      1.0945392942
 C      2.2242070383     -1.7951072947      2.2307936175
 C      1.7083359129     -1.0833863545      3.0534419306
18
# ORCA AIMD Position Step 1196, t=1196.00 fs, E_Pot=-685.23528855 Hartree, Unit is Angstrom
 C      0.8346707522     -0.1733432770      3.5663414284
 C     -0.0685671021      0.6175282526      3.7081717085
 C     -1.0538753985      1.4713509887      3.2678767400
 C     -1.6385706581      2.0888107625      2.4231275282
 C     -2.3185485567      2.4031393708      1.3116472786
 C     -2.6149849261      2.3459286166      0.1171242681
 C     -2.6382565666      1.8045805256     -1.1630538446
 C     -2.4486984689      1.3577628234     -2.2689925264
 C     -1.8839606985      0.7098397176     -3.3034149017
 C     -1.0284089132      0.0471731343     -3.8230166553
 C      0.0564210738     -0.8017348765     -3.7826654374
 C      0.9792816338     -1.3932229393     -3.3172984772
 C      1.7544341000     -2.1143036014     -2.4999473408
 C      2.2133555253     -2.5428977349     -1.4260155123
 C      2.5233220653     -2.6365382927     -0.1122620785
 C      2.5099444572     -2.5030640989      1.0877842897
 C      2.2226123043     -1.7972429442      2.2274747752
 C      1.6994110663     -1.0871060673      3.0471729894
18
# ORCA AIMD Position Step 1197, t=1197.00 fs, E_Pot=-685.23544661 Hartree, Unit is Angstrom
 C      0.8313731492     -0.1799348921      3.5663671828
 C     -0.0655334664      0.6166701681      3.7110464685
 C     -1.0515258791      1.4669037538      3.2731447049
 C     -1.6416242694      2.0858487459      2.4235953818
 C     -2.3079646142      2.3983743161      1.3109506644
 C     -2.6107454274      2.3517079241      0.1139567981
 C     -2.6356464303      1.8067182311     -1.1597051082
 C     -2.4428138648      1.3532704857     -2.2633336322
 C     -1.8828490135      0.7114900839     -3.3044645276
 C     -1.0262772165      0.0539171373     -3.8216831224
 C      0.0587519220     -0.8000381857     -3.7853142248
 C      0.9812765255     -1.3885116253     -3.3183779100
 C      1.7560874934     -2.1093697345     -2.4975317713
 C      2.2082831092     -2.5421576932     -1.4270127176
 C      2.5156547896     -2.6368296252     -0.1110843763
 C      2.5003246313     -2.5015074408      1.0820431761
 C      2.2214158000     -1.8004529048      2.2233945030
 C      1.6899315624     -1.0902358195      3.0414286084
18
# ORCA AIMD Position Step 1198, t=1198.00 fs, E_Pot=-685.23697768 Hartree, Unit is Angstrom
 C      0.8284346723     -0.1869747732      3.5665012416
 C     -0.0631676273      0.6164870574      3.7136617755
 C     -1.0479434193      1.4617753337      3.2790993671
 C     -1.6453175273      2.0831513216      2.4244000547
 C     -2.2978500142      2.3936844944      1.3080359001
 C     -2.6061425170      2.3566732702      0.1111808457
 C     -2.6333068501      1.8100370861     -1.1550977359
 C     -2.4371591345      1.3489575229     -2.2576901043
 C     -1.8823803419      0.7136888659     -3.3050435342
 C     -1.0224866777      0.0591884384     -3.8208708201
 C      0.0588997178     -0.7964732305     -3.7889791815
 C      0.9844090906     -1.3850137095     -3.3191832808
 C      1.7588001139     -2.1052390083     -2.4929259351
 C      2.2027536778     -2.5407075527     -1.4295915972
 C      2.5078296063     -2.6375601780     -0.1113401985
 C      2.4907266060     -2.4990646416      1.0777829574
 C      2.2204732379     -1.8045665547      2.2187718280
 C      1.6800873417     -1.0929755395      3.0360516746
18
# ORCA AIMD Position Step 1199, t=1199.00 fs, E_Pot=-685.23906592 Hartree, Unit is Angstrom
 C      0.8257787835     -0.1943459160      3.5667851782
 C     -0.0614103973      0.6168985940      3.7160421159
 C     -1.0435486499      1.4563718619      3.2852565116
 C     -1.6492365695      2.0803826985      2.4260532575
 C     -2.2883164104      2.3891303840      1.3028528195
 C     -2.6011659636      2.3608404854      0.1089600488
 C     -2.6311981459      1.8143936469     -1.1495616625
 C     -2.4317950454      1.3449243630     -2.2519469071
 C     -1.8825703611      0.7164392095     -3.3051030747
 C     -1.0170628205      0.0629758187     -3.8206130078
 C      0.0571461838     -0.7912219791     -3.7935215416
 C      0.9885053834     -1.3826306345     -3.3197668342
 C      1.7622669575     -2.1016841963     -2.4867140934
 C      2.1970117787     -2.5387327488     -1.4331947512
 C      2.4998602987     -2.6387748646     -0.1133951877
 C      2.4812182429     -2.4957888150      1.0751776192
 C      2.2195783591     -1.8093017148      2.2139651864
 C      1.6701456469     -1.0955991016      3.0308151762
18
# ORCA AIMD Position Step 1200, t=1200.00 fs, E_Pot=-685.24050333 Hartree, Unit is Angstrom
 C      0.8232626607     -0.2018665481      3.5672725464
 C     -0.0600970239      0.6177301340      3.7182212396
 C     -1.0388009588      1.4511209337      3.2911221427
 C     -1.6530350709      2.0772521554      2.4289367543
 C     -2.2793584796      2.3847482726      1.2956813323
 C     -2.5958578842      2.3642372394      0.1072872617
 C     -2.6292715579      1.8195937922     -1.1435265455
 C     -2.4267861597      1.3412968491     -2.2459339916
 C     -1.8832608808      0.7196058963     -3.3047074900
 C     -1.0103186437      0.0654975495     -3.8208285535
 C      0.0541332725     -0.7847257540     -3.7986637303
 C      0.9931647139     -1.3811115410     -3.3202878684
 C      1.7660517175     -2.0983531468     -2.4797628051
 C      2.1913999211     -2.5365268469     -1.4370185411
 C      2.4917645269     -2.6404782322     -0.1173039067
 C      2.4718812767     -2.4918117077      1.0740409329
 C      2.2184988894     -1.8143198806      2.2094055305
 C      1.6603925484     -1.0983989057      3.0254765177
18
# ORCA AIMD Position Step 1201, t=1201.00 fs, E_Pot=-685.24046975 Hartree, Unit is Angstrom
 C      0.8207138586     -0.2093339011      3.5680171976
 C     -0.0589971124      0.6187456090      3.7202421855
 C     -1.0341256928      1.4464056609      3.2962749348
 C     -1.6564916356      2.0735590929      2.4332283599
 C     -2.2708463212      2.3805432781      1.2871011603
 C     -2.5903025297      2.3669045312      0.1060049080
 C     -2.6274753849      1.8254252649     -1.1374596796
 C     -2.4221824695      1.3381922900     -2.2394783220
 C     -1.8841660252      0.7229630731     -3.3039965354
 C     -1.0027915412      0.0671554521     -3.8213482291
 C      0.0507230277     -0.7775846516     -3.8040600646
 C      0.9978731070     -1.3801216269     -3.3209619846
 C      1.7696531769     -2.0948152188     -2.4730959326
 C      2.1862972281     -2.5344462729     -1.4401557057
 C      2.4835609295     -2.6426360957     -0.1227957589
 C      2.4627962016     -2.4873307357      1.0738585289
 C      2.2170185629     -1.8192933320      2.2055172287
 C      1.6510701656     -1.1016246947      3.0198359138
18
# ORCA AIMD Position Step 1202, t=1202.00 fs, E_Pot=-685.23906678 Hartree, Unit is Angstrom
 C      0.8179660285     -0.2165644822      3.5690633022
 C     -0.0578616234      0.6196916259      3.7221529078
 C     -1.0298635231      1.4425182794      3.3004151655
 C     -1.6595227523      2.0692112029      2.4388871309
 C     -2.2625515352      2.3764887990      1.2779179503
 C     -2.5846097677      2.3688989425      0.1048469147
 C     -2.6257645885      1.8316834000     -1.1318113900
 C     -2.4180051860      1.3356969822     -2.2324526949
 C     -1.8849460289      0.7262519976     -3.3031341380
 C     -0.9951351359      0.0684542368     -3.8219548736
 C      0.0478279520     -0.7704422862     -3.8093713143
 C      1.0021204321     -1.3793136422     -3.3220086008
 C      1.7725919722     -2.0906399709     -2.4677158934
 C      2.1820441353     -2.5328406732     -1.4417826410
 C      2.4752702851     -2.6451887955     -0.1293384793
 C      2.4540353672     -2.4825799767      1.0739018577
 C      2.2149697612     -1.8239592243      2.2026510061
 C      1.6423345501     -1.1054377532      3.0137781424
18
# ORCA AIMD Position Step 1203, t=1203.00 fs, E_Pot=-685.23718904 Hartree, Unit is Angstrom
 C      0.8148897206     -0.2234221364      3.5704372513
 C     -0.0564661723      0.6203355206      3.7240013408
 C     -1.0262405796      1.4396405595      3.3033834423
 C     -1.6621677136      2.0642190566      2.4456855696
 C     -2.2541945543      2.3725365219      1.2690407144
 C     -2.5788968427      2.3702918377      0.1035159087
 C     -2.6241074379      1.8381886197     -1.1269812927
 C     -2.4142420571      1.3338500008     -2.2248149861
 C     -1.8852802585      0.7292397098     -3.3022566665
 C     -0.9880069657      0.0699107397     -3.8224290307
 C      0.0462706021     -0.7638852349     -3.8143203320
 C      1.0054835074     -1.3783857559     -3.3236112140
 C      1.7745043856     -2.0854903245     -2.4643982706
 C      2.1788624801     -2.5319685533     -1.4413737875
 C      2.4669221140     -2.6480666048     -0.1362359915
 C      2.4456565024     -2.4777967454      1.0733829577
 C      2.2122571609     -1.8281610358      2.2010302431
 C      1.6342342571     -1.1098846791      3.0073009197
18
# ORCA AIMD Position Step 1204, t=1204.00 fs, E_Pot=-685.23583951 Hartree, Unit is Angstrom
 C      0.8114114128     -0.2298307702      3.5721441463
 C     -0.0546480448      0.6204974514      3.7258292498
 C     -1.0233572298      1.4378375731      3.3051602068
 C     -1.6645578444      2.0586796296      2.4532615236
 C     -2.2455004613      2.3686310008      1.2613458654
 C     -2.5732684705      2.3711688026      0.1017743999
 C     -2.6224893647      1.8447957456     -1.1232992604
 C     -2.4108495807      1.3326345742     -2.2166352461
 C     -1.8849173763      0.7317579560     -3.3014368272
 C     -0.9819720190      0.0719704872     -3.8225820960
 C      0.0466800015     -0.7583660148     -3.8187209719
 C      1.0076678357     -1.3771133551     -3.3258988724
 C      1.7752155076     -2.0792060855     -2.4635224204
 C      2.1767961244     -2.5319268397     -1.4388710660
 C      2.4585615570     -2.6512054394     -0.1427294378
 C      2.4377021345     -2.4731880460      1.0716042557
 C      2.2088708116     -1.8318689980      2.2007161020
 C      1.6267120773     -1.1148933419      3.0005209097
18
# ORCA AIMD Position Step 1205, t=1205.00 fs, E_Pot=-685.23546822 Hartree, Unit is Angstrom
 C      0.8075344636     -0.2357877234      3.5741570033
 C     -0.0523481205      0.6200884008      3.7276603931
 C     -1.0211610671      1.4370382465      3.3058757199
 C     -1.6668943022      2.0527711043      2.4611579149
 C     -2.2362557057      2.3647221521      1.2555469218
 C     -2.5677995265      2.3716158277      0.0995039223
 C     -2.6209144699      1.8514081513     -1.1209807732
 C     -2.4077577608      1.3319759916     -2.2081133749
 C     -1.8837163858      0.7337287849     -3.3006615737
 C     -0.9773959961      0.0749168550     -3.8222832209
 C      0.0493856816     -0.7541276794     -3.8224928576
 C      1.0085383022     -1.3753757686     -3.3289251419
 C      1.7747613828     -2.0718431026     -2.4650076926
 C      2.1756962063     -2.5326170287     -1.4347406925
 C      2.4502568877     -2.6545614681     -0.1481134019
 C      2.4302028234     -2.4689009717      1.0681059817
 C      2.2048936077     -1.8351926979      2.2015787181
 C      1.6196080344     -1.1202636920      2.9936843972
18
# ORCA AIMD Position Step 1206, t=1206.00 fs, E_Pot=-685.23577100 Hartree, Unit is Angstrom
 C      0.8033055286     -0.2413223452      3.5764438303
 C     -0.0495720729      0.6190807886      3.7295111113
 C     -1.0195210951      1.4370967254      3.3057558524
 C     -1.6693951301      2.0467162830      2.4688927356
 C     -2.2263622557      2.3607749601      1.2520638486
 C     -2.5625052239      2.3717482666      0.0968648159
 C     -2.6194084712      1.8579414876     -1.1201997867
 C     -2.4048812136      1.3317563669     -2.1995565426
 C     -1.8816367253      0.7351460534     -3.2998496133
 C     -0.9744641452      0.0788894225     -3.8214611764
 C      0.0544290660     -0.7512188294     -3.8256554657
 C      1.0081066168     -1.3731424576     -3.3326899646
 C      1.7733935842     -2.0636928180     -2.4683027109
 C      2.1752376767     -2.5337499364     -1.4299460634
 C      2.4420999870     -2.6581124205     -0.1517777948
 C      2.4231746236     -2.4650121762      1.0627015154
 C      2.2004746552     -1.8383379678      2.2033478417
 C      1.6127320689     -1.1257480379      2.9870889354
18
# ORCA AIMD Position Step 1207, t=1207.00 fs, E_Pot=-685.23612645 Hartree, Unit is Angstrom
 C      0.7988349999     -0.2465204768      3.5789525588
 C     -0.0464358763      0.6175484749      3.7313806079
 C     -1.0182004762      1.4377759915      3.3051184687
 C     -1.6722825444      2.0407649228      2.4759992814
 C     -2.2158422111      2.3567751342      1.2509866567
 C     -2.5573434784      2.3716725507      0.0942202421
 C     -2.6180118979      1.8643681555     -1.1209909706
 C     -2.4021247076      1.3318110201     -2.1913752774
 C     -1.8787548584      0.7360932030     -3.2988457989
 C     -0.9731027633      0.0838169096     -3.8201219415
 C      0.0615119412     -0.7494419350     -3.8283293995
 C      1.0065453162     -1.3704944184     -3.3371147678
 C      1.7714853286     -2.0551776877     -2.4726007639
 C      2.1750122754     -2.5349351143     -1.4256862358
 C      2.4341905657     -2.6618657962     -0.1533475953
 C      2.4166176579     -2.4615179231      1.0555497153
 C      2.1958166802     -1.8415914544      2.2056232787
 C      1.6058611205     -1.1310541799      2.9810806356
18
# ORCA AIMD Position Step 1208, t=1208.00 fs, E_Pot=-685.23604958 Hartree, Unit is Angstrom
 C      0.7942664834     -0.2515031327      3.5816291634
 C     -0.0431326260      0.6156419720      3.7332605174
 C     -1.0169140155      1.4387997219      3.3043175039
 C     -1.6757439308      2.0351500159      2.4820946487
 C     -2.2048288667      2.3527301645      1.2520811847
 C     -2.5522157006      2.3714822734      0.0920994791
 C     -2.6167747342      1.8707174736     -1.1232599538
 C     -2.3993928560      1.3319497593     -2.1840304015
 C     -1.8752409501      0.7367198783     -3.2974485133
 C     -0.9730182448      0.0894554077     -3.8183432709
 C      0.0700446489     -0.7483887703     -3.8307253473
 C      1.0041809064     -1.3676134302     -3.3420539865
 C      1.7694527927     -2.0467657069     -2.4770172036
 C      2.1746128501     -2.5357639850     -1.4231390428
 C      2.4266116676     -2.6658624889     -0.1527722001
 C      2.4105161850     -2.4583401966      1.0471240554
 C      2.1911283273     -1.8452542152      2.2079645342
 C      1.5987909313     -1.1359183640      2.9759743229
18
# ORCA AIMD Position Step 1209, t=1209.00 fs, E_Pot=-685.23543695 Hartree, Unit is Angstrom
 C      0.7897532334     -0.2564092577      3.5844292115
 C     -0.0399017547      0.6135649531      3.7351398433
 C     -1.0153842783      1.4399025767      3.3036822954
 C     -1.6798969254      2.0300497718      2.4869352831
 C     -2.1935352483      2.3486651620      1.2548729267
 C     -2.5469866003      2.3712461357      0.0910840467
 C     -2.6157486161      1.8770735710     -1.1267887875
 C     -2.3965994384      1.3319804361     -2.1779808325
 C     -1.8713344437      0.7372214003     -3.2954375593
 C     -0.9737508163      0.0954450724     -3.8162667108
 C      0.0792290521     -0.7474996232     -3.8331229858
 C      1.0014685798     -1.3647719613     -3.3472961679
 C      1.7676713424     -2.0388824991     -2.4807681611
 C      2.1737130000     -2.5358888813     -1.4232206067
 C      2.4194112762     -2.6701753843     -0.1503890489
 C      2.4048416710     -2.4553403494      1.0381541666
 C      2.1865759663     -1.8495783210      2.2099797933
 C      1.5913788876     -1.1401640766      2.9719940473
18
# ORCA AIMD Position Step 1210, t=1210.00 fs, E_Pot=-685.23459583 Hartree, Unit is Angstrom
 C      0.7854358797     -0.2613720265      3.5873240438
 C     -0.0369953348      0.6115414210      3.7370085159
 C     -1.0133956494      1.4408774221      3.3034634088
 C     -1.6847604545      2.0255563165      2.4904528193
 C     -2.1822149892      2.3446221587      1.2587631558
 C     -2.5415152518      2.3709950470      0.0916801375
 C     -2.6149792394      1.8835670403     -1.1312590253
 C     -2.3936781911      1.3317346820     -2.1736257459
 C     -1.8673078586      0.7378086846     -3.2926017667
 C     -0.9747608429      0.1013708066     -3.8140750403
 C      0.0881794405     -0.7461442896     -3.8358381975
 C      0.9989460707     -1.3623028959     -3.3525862746
 C      1.7664164853     -2.0318433921     -2.4832976163
 C      2.1721139706     -2.5350816603     -1.4264259611
 C      2.4125950564     -2.6749005510     -0.1469194556
 C      2.3995581729     -2.4523434953      1.0295320997
 C      2.1822460410     -1.8547111806      2.2114018632
 C      1.5835789072     -1.1437422387      2.9692354167
18
# ORCA AIMD Position Step 1211, t=1211.00 fs, E_Pot=-685.23404852 Hartree, Unit is Angstrom
 C      0.7814216933     -0.2664945924      3.5903048072
 C     -0.0346425599      0.6097801333      3.7388608033
 C     -1.0108342606      1.4416082311      3.3037950881
 C     -1.6902376829      2.0216601153      2.4927683026
 C     -2.1711275171      2.3406589692      1.2631406853
 C     -2.5356853416      2.3707159755      0.0942105586
 C     -2.6144962038      1.8903511485     -1.1362930254
 C     -2.3905974907      1.3310994552     -2.1712438660
 C     -1.8634197020      0.7386717377     -3.2887760174
 C     -0.9755157245      0.1068294821     -3.8119662606
 C      0.0960561490     -0.7437221534     -3.8391726286
 C      0.9971531171     -1.3605465385     -3.3576617574
 C      1.7658257027     -2.0258132006     -2.4843535396
 C      2.1697671641     -2.5332634237     -1.4327619692
 C      2.4061314177     -2.6801412147     -0.1433724078
 C      2.3946302248     -2.4491707184      1.0221861503
 C      2.1781260202     -1.8606646890      2.2121343023
 C      1.5754589172     -1.1467454565      2.9676482924
18
# ORCA AIMD Position Step 1212, t=1212.00 fs, E_Pot=-685.23427654 Hartree, Unit is Angstrom
 C      0.7777819619     -0.2718388333      3.5933821301
 C     -0.0330367618      0.6084590804      3.7406921817
 C     -1.0076989656      1.4420756419      3.3046876705
 C     -1.6961293855      2.0182635410      2.4941493301
 C     -2.1604976635      2.3368407060      1.2675163827
 C     -2.5294339614      2.3703594339      0.0987408172
 C     -2.6143048692      1.8975614135     -1.1415190487
 C     -2.3873667406      1.3300401503     -2.1709550102
 C     -1.8598782681      0.7399542869     -3.2838627485
 C     -0.9755575341      0.1114763703     -3.8101270432
 C      0.1021974136     -0.7397599359     -3.8433497976
 C      0.9965289256     -1.3597818218     -3.3622995036
 C      1.7658703618     -2.0207784800     -2.4840453215
 C      2.1667854744     -2.5305325058     -1.4417348762
 C      2.3999629750     -2.6859791238     -0.1408517904
 C      2.3900280264     -2.4456660161      1.0169294528
 C      2.1741165018     -1.8673244632      2.2122351981
 C      1.5671921312     -1.1493882195      2.9670567907
18
# ORCA AIMD Position Step 1213, t=1213.00 fs, E_Pot=-685.23518790 Hartree, Unit is Angstrom
 C      0.7745008803     -0.2773707703      3.5965882325
 C     -0.0322535993      0.6076473823      3.7425006751
 C     -1.0041196025      1.4423608729      3.3060323153
 C     -1.7021162981      2.0151821363      2.4950467598
 C     -2.1505443740      2.3332491099      1.2714522229
 C     -2.5227537504      2.3698381931      0.1050673133
 C     -2.6143741045      1.9052880805     -1.1465945212
 C     -2.3840719821      1.3286600572     -2.1726120088
 C     -1.8567499199      0.7416668394     -3.2779403625
 C     -0.9746227027      0.1151208386     -3.8086764330
 C      0.1062817376     -0.7340424928     -3.8484574103
 C      0.9972713377     -1.3601176989     -3.3664016099
 C      1.7663995700     -2.0165914532     -2.4827702894
 C      2.1633999685     -2.5271261460     -1.4524926345
 C      2.3940353489     -2.6924473313     -0.1402812300
 C      2.3857452574     -2.4417783378      1.0142082643
 C      2.1700344267     -1.8744304005      2.2119631884
 C      1.5590383775     -1.1519733663      2.9671941908
18
# ORCA AIMD Position Step 1214, t=1214.00 fs, E_Pot=-685.23616037 Hartree, Unit is Angstrom
 C      0.7715214275     -0.2830039926      3.5999639009
 C     -0.0322990381      0.6073445574      3.7442821749
 C     -1.0002956084      1.4426000647      3.3076523357
 C     -1.7078475648      2.0122047787      2.4959393277
 C     -2.1414092923      2.3299592377      1.2747491941
 C     -2.5157130396      2.3690507624      0.1127116768
 C     -2.6146374483      1.9135447892     -1.1512830332
 C     -2.3808545790      1.3271758765     -2.1758484762
 C     -1.8539741577      0.7437184292     -3.2712123531
 C     -0.9726303480      0.1177031635     -3.8076674817
 C      0.1083612920     -0.7266328069     -3.8544123404
 C      0.9992962924     -1.3614623172     -3.3700140454
 C      1.7671266899     -2.0129488196     -2.4812394611
 C      2.1599597383     -2.5234370893     -1.4638657589
 C      2.3882944099     -2.6994919885     -0.1421808416
 C      2.3817890683     -2.4375609704      1.0139966650
 C      2.1656795352     -1.8816738560      2.2116466494
 C      1.5512715117     -1.1548128431      2.9677786854
18
# ORCA AIMD Position Step 1215, t=1215.00 fs, E_Pot=-685.23632054 Hartree, Unit is Angstrom
 C      0.7687365517     -0.2886029816      3.6035534410
 C     -0.0330928003      0.6074660933      3.7460336308
 C     -0.9964584744      1.4429501563      3.3093507590
 C     -1.7129862123      2.0091278953      2.4972832715
 C     -2.1331585237      2.3270300152      1.2774091211
 C     -2.5084347082      2.3678967878      0.1209955475
 C     -2.6150008564      1.9222780951     -1.1554496539
 C     -2.3779042947      1.3259058854     -2.1801047859
 C     -1.8513497884      0.7459027338     -3.2640224193
 C     -0.9696988190      0.1193200891     -3.8070668099
 C      0.1088391461     -0.7178600103     -3.8609922560
 C      1.0022476518     -1.3635199724     -3.3733353710
 C      1.7677058699     -2.0094649994     -2.4803168848
 C      2.1568610126     -2.5199350743     -1.4745857650
 C      2.3827023789     -2.7069690414     -0.1465600974
 C      2.3781753473     -2.4331907862      1.0157564141
 C      2.1608600014     -1.8887461592      2.2116478606
 C      1.5441327201     -1.1581818696      2.9685624644
18
# ORCA AIMD Position Step 1216, t=1216.00 fs, E_Pot=-685.23529991 Hartree, Unit is Angstrom
 C      0.7660126249     -0.2940140848      3.6073995911
 C     -0.0344882751      0.6078628905      3.7477553647
 C     -0.9928238379      1.4435538045      3.3109605823
 C     -1.7172585733      2.0057888849      2.4994464313
 C     -2.1257840471      2.3244981874      1.2796089365
 C     -2.5010758242      2.3662848870      0.1291206265
 C     -2.6153530924      1.9313893316     -1.1590434415
 C     -2.3754414749      1.3252358519     -2.1846955424
 C     -1.8485770846      0.7479377541     -3.2568088854
 C     -0.9660920081      0.1201852498     -3.8067755520
 C      0.1083640269     -0.7082373234     -3.8678906859
 C      1.0055773955     -1.3658452836     -3.3766859812
 C      1.7678121075     -2.0057588908     -2.4808408066
 C      2.1544755733     -2.5170827209     -1.4834930237
 C      2.3772349928     -2.7146625534     -0.1529671408
 C      2.3749222242     -2.4289410109      1.0185508632
 C      2.1554286900     -1.8954005579      2.2122902489
 C      1.5377805009     -1.1622683009      2.9693808111
18
# ORCA AIMD Position Step 1217, t=1217.00 fs, E_Pot=-685.23358234 Hartree, Unit is Angstrom
 C      0.7632210569     -0.2990988021      3.6115265139
 C     -0.0363044339      0.6083460009      3.7494501655
 C     -0.9895437623      1.4445092328      3.3123830958
 C     -1.7204963066      2.0020946231      2.5026454108
 C     -2.1192127365      2.3223757847      1.2816750594
 C     -2.4938057932      2.3641424854      0.1362784902
 C     -2.6155800850      1.9407584322     -1.1620791853
 C     -2.3736801481      1.3255544129     -2.1889352821
 C     -1.8453341507      0.7495355547     -3.2500122580
 C     -0.9621503521      0.1205677221     -3.8066652066
 C      0.1076885771     -0.6983510968     -3.8747879702
 C      1.0086762551     -1.3679406702     -3.3804356364
 C      1.7672153923     -2.0015439289     -2.4834371294
 C      2.1530727861     -2.5152341424     -1.4897562379
 C      2.3718826409     -2.7223214729     -0.1606464095
 C      2.3720429603     -2.4251286913      1.0212721918
 C      2.1493118188     -1.9015015119      2.2137789504
 C      1.5322477624     -1.1671289378      2.9702011635
18
# ORCA AIMD Position Step 1218, t=1218.00 fs, E_Pot=-685.23209728 Hartree, Unit is Angstrom
 C      0.7602566482     -0.3037531560      3.6159357420
 C     -0.0383505047      0.6087160020      3.7511229143
 C     -0.9866891409      1.4458532515      3.3136135543
 C     -1.7226459047      1.9980347990      2.5069329301
 C     -2.1133481284      2.3206539456      1.2839715689
 C     -2.4867747187      2.3614201561      0.1417636272
 C     -2.6155792932      1.9502661040     -1.1645973797
 C     -2.3728009179      1.3272042374     -2.1922303199
 C     -1.8413462197      0.7504551094     -3.2440079441
 C     -0.9582121404      0.1207392564     -3.8066109780
 C      0.1075250930     -0.6887558307     -3.8814136093
 C      1.0109810420     -1.3693366366     -3.3849437869
 C      1.7658558729     -1.9967317099     -2.4883365771
 C      2.1527533676     -2.5145413728     -1.4930433601
 C      2.3666532089     -2.7296990466     -0.1687257051
 C      2.3695378921     -2.4220528578      1.0228759786
 C      2.1425193284     -1.9070462538      2.2161584428
 C      1.5274515565     -1.1726927824      2.9711177705
18
# ORCA AIMD Position Step 1219, t=1219.00 fs, E_Pot=-685.23153339 Hartree, Unit is Angstrom
 C      0.7570519193     -0.3079129873      3.6206060914
 C     -0.0404472779      0.6087847876      3.7527799563
 C     -0.9842433634      1.4475553189      3.3147433030
 C     -1.7237623327      1.9936823160      2.5122026885
 C     -2.1081117018      2.3193136541      1.2867979211
 C     -2.4800922482      2.3580956050      0.1450775247
 C     -2.6152693823      1.9598043005     -1.1666399572
 C     -2.3729197235      1.3304304898     -2.1941644912
 C     -1.8364476685      0.7505527909     -3.2390398728
 C     -0.9545571746      0.1209278417     -3.8065175413
 C      0.1084467256     -0.6799084699     -3.8875787308
 C      1.0120497637     -1.3696518076     -3.3905087624
 C      1.7638693855     -1.9914733003     -2.4953097356
 C      2.1534247634     -2.5149169211     -1.4935812784
 C      2.3615728773     -2.7365836215     -0.1763585150
 C      2.3673910957     -2.4199466919      1.0225620652
 C      2.1351487046     -1.9121576882      2.2192867062
 C      1.5232142310     -1.1787749948      2.9723321644
18
# ORCA AIMD Position Step 1220, t=1220.00 fs, E_Pot=-685.23194658 Hartree, Unit is Angstrom
 C      0.7535805579     -0.3115502426      3.6254938202
 C     -0.0424438938      0.6083957203      3.7544260806
 C     -0.9821030690      1.4495176302      3.3159553425
 C     -1.7239960043      1.9891846028      2.5182145544
 C     -2.1034830630      2.3183340940      1.2902776171
 C     -2.4738044061      2.3541790330      0.1460272547
 C     -2.6145961480      1.9692807434     -1.1682380990
 C     -2.3740675878      1.3353433916     -2.1945568741
 C     -1.8306176371      0.7498088987     -3.2351803062
 C     -0.9513715233      0.1212859590     -3.8063355800
 C      0.1108098016     -0.6721188679     -3.8931924914
 C      1.0116214087     -1.3686431203     -3.3973226059
 C      1.7615631194     -1.9861357162     -2.5037071840
 C      2.1548184797     -2.5160492012     -1.4921079462
 C      2.3566901069     -2.7428140294     -0.1828170349
 C      2.3655673745     -2.4189499226      1.0198813575
 C      2.1273730133     -1.9170555631      2.2228478364
 C      1.5193056129     -1.1851155532      2.9741085374
18
# ORCA AIMD Position Step 1221, t=1221.00 fs, E_Pot=-685.23292182 Hartree, Unit is Angstrom
 C      0.7498569365     -0.3146717234      3.6305392518
 C     -0.0442250360      0.6074361868      3.7560707280
 C     -0.9801025182      1.4515936243      3.3174922353
 C     -1.7235675380      1.9847438515      2.5246316785
 C     -2.0995125903      2.3176964483      1.2943140350
 C     -2.4678874328      2.3497150755      0.1447642074
 C     -2.6135364444      1.9786170797     -1.1694142694
 C     -2.3761788274      1.3419001943     -2.1934726603
 C     -1.8240008695      0.7483480647     -3.2323152111
 C     -0.9487237527      0.1218761498     -3.8060749285
 C      0.1147410758     -0.6655305333     -3.8982625191
 C      1.0096423407     -1.3662340263     -3.4054368801
 C      1.7593310690     -1.9812029015     -2.5126415831
 C      2.1565589423     -2.5174936759     -1.4896815045
 C      2.3520665798     -2.7482890567     -0.1875540549
 C      2.3640103414     -2.4190965023      1.0147603311
 C      2.1194112946     -1.9220105347      2.2264028121
 C      1.5154879990     -1.1914315135      2.9767187063
18
# ORCA AIMD Position Step 1222, t=1222.00 fs, E_Pot=-685.23391789 Hartree, Unit is Angstrom
 C      0.7459329110     -0.3173236102      3.6356806743
 C     -0.0457195935      0.6058473676      3.7577317255
 C     -0.9780450725      1.4536167945      3.3196211090
 C     -1.7227367668      1.9805857936      2.5310718298
 C     -2.0963093034      2.3173816160      1.2986026731
 C     -2.4622487518      2.3447814935      0.1417661287
 C     -2.6120963628      1.9877593123     -1.1701880549
 C     -2.3791006169      1.3499181454     -2.1912042319
 C     -1.8168828044      0.7464184737     -3.2301616643
 C     -0.9465704042      0.1226765037     -3.8058025328
 C      0.1201254395     -0.6601019301     -3.9028940798
 C      1.0062964364     -1.3625410841     -3.4147439723
 C      1.7575600871     -1.9771619827     -2.5211898275
 C      2.1582400920     -2.5187696928     -1.4874626345
 C      2.3477622355     -2.7529737765     -0.1902703892
 C      2.3626463443     -2.4203204591      1.0074831425
 C      2.1114784096     -1.9272805692      2.2294776901
 C      1.5115657255     -1.1974844995      2.9803753852
18
# ORCA AIMD Position Step 1223, t=1223.00 fs, E_Pot=-685.23452648 Hartree, Unit is Angstrom
 C      0.7418849518     -0.3195833508      3.6408702301
 C     -0.0469071444      0.6036295645      3.7594330016
 C     -0.9757457370      1.4554350627      3.3225873865
 C     -1.7217497846      1.9769152023      2.5371850279
 C     -2.0940174966      2.3173720393      1.3026871754
 C     -2.4567470169      2.3394833080      0.1377521546
 C     -2.6103082057      1.9966844871     -1.1705842985
 C     -2.3826223641      1.3591115432     -2.1882059979
 C     -1.8096276838      0.7443408728     -3.2283366658
 C     -0.9447754525      0.1236011042     -3.8056197288
 C      0.1266195084     -0.6556113015     -3.9072814972
 C      1.0019923493     -1.3578642660     -3.4249844026
 C      1.7565568428     -1.9744126520     -2.5285674296
 C      2.1594929827     -2.5194451661     -1.4865076930
 C      2.3438279073     -2.7569022221     -0.1909614086
 C      2.3613909316     -2.4224723618      0.9986293169
 C      2.1037290832     -1.9330469526      2.2316691186
 C      1.5074347587     -1.2031505183      2.9851721531
18
# ORCA AIMD Position Step 1224, t=1224.00 fs, E_Pot=-685.23455654 Hartree, Unit is Angstrom
 C      0.7378161483     -0.3215644705      3.6460733250
 C     -0.0478114674      0.6008346143      3.7612122443
 C     -0.9730799141      1.4569491089      3.3265660322
 C     -1.7208029809      1.9738908293      2.5426852333
 C     -2.0927759634      2.3176434693      1.3060864973
 C     -2.4512258256      2.3339435220      0.1335447571
 C     -2.6082232199      2.0053993030     -1.1706330892
 C     -2.3865035772      1.3691364662     -2.1850246166
 C     -1.8026282654      0.7424655705     -3.2264140271
 C     -0.9431602095      0.1245348908     -3.8056492247
 C      0.1337072700     -0.6516886553     -3.9116906583
 C      0.9973468933     -1.3526787191     -3.4357569012
 C      1.7564876331     -1.9731980053     -2.5342545711
 C      2.1600419371     -2.5192066679     -1.4875926687
 C      2.3402927532     -2.7601629124     -0.1899505825
 C      2.3601572091     -2.4253416268      0.9889994464
 C      2.0962246042     -1.9393714488      2.2327139493
 C      1.5031021657     -1.2084484528      2.9910576768
18
# ORCA AIMD Position Step 1225, t=1225.00 fs, E_Pot=-685.23405368 Hartree, Unit is Angstrom
 C      0.7338548937     -0.3234172496      3.6512693518
 C     -0.0484972464      0.5975608535      3.7631190627
 C     -0.9700189342      1.4581363807      3.3316256204
 C     -1.7200076140      1.9716028986      2.5473857648
 C     -2.0926863122      2.3181619321      1.3084020299
 C     -2.4455465788      2.3282931793      0.1299306613
 C     -2.6059033214      2.0139335621     -1.1703680596
 C     -2.3905040299      1.3796365559     -2.1822222360
 C     -1.7962426898      0.7411186181     -3.2239964078
 C     -0.9415534077      0.1253721148     -3.8060058703
 C      0.1407710225     -0.6478686943     -3.9164285961
 C      0.9931180448     -1.3475824249     -3.4465619652
 C      1.7573608772     -1.9735813617     -2.5380517351
 C      2.1597327600     -2.5178955373     -1.4911107209
 C      2.3371601114     -2.7628856884     -0.1878808478
 C      2.3588640910     -2.4286788750      0.9795333935
 C      2.0889234217     -1.9461824184      2.2325260123
 C      1.4986842686     -1.2135385976      2.9978362621
18
# ORCA AIMD Position Step 1226, t=1226.00 fs, E_Pot=-685.23331442 Hartree, Unit is Angstrom
 C      0.7301515564     -0.3253226736      3.6564472146
 C     -0.0490592050      0.5939408712      3.7652117872
 C     -0.9666462045      1.4590606800      3.3377116094
 C     -1.7193749560      1.9700652878      2.5512085435
 C     -2.0937891892      2.3188834033      1.3094056755
 C     -2.4396146765      2.3226577248      0.1275414892
 C     -2.6034115596      2.0223294013     -1.1698254021
 C     -2.3944066962      1.3902817747     -2.1803099809
 C     -1.7907406675      0.7405578048     -3.2207721303
 C     -0.9398461144      0.1260538913     -3.8067658076
 C      0.1471953736     -0.6436743376     -3.9217996493
 C      0.9900987212     -1.3432099417     -3.4568699033
 C      1.7590338262     -1.9754475485     -2.5400894927
 C      2.1585439117     -2.5155208613     -1.4970318804
 C      2.3344113194     -2.7652205278     -0.1856437040
 C      2.3574401448     -2.4322206241      0.9712155021
 C      2.0816991382     -1.9532979682      2.2311848134
 C      1.4943764047     -1.2186873226      3.0052030200
18
# ORCA AIMD Position Step 1227, t=1227.00 fs, E_Pot=-685.23280913 Hartree, Unit is Angstrom
 C      0.7268737259     -0.3274869218      3.6615956664
 C     -0.0496088936      0.5901273505      3.7675546373
 C     -0.9631511517      1.4598626921      3.3446508851
 C     -1.7188230897      1.9692262015      2.5541717732
 C     -2.0960501928      2.3197514345      1.3090973664
 C     -2.4333992373      2.3171483332      0.1267569845
 C     -2.6008009403      2.0306224065     -1.1690423726
 C     -2.3980330032      1.4008038151     -2.1796898480
 C     -1.7862709864      0.7409416663     -3.2165523161
 C     -0.9380272028      0.1265947487     -3.8079436043
 C      0.1524938861     -0.6387224041     -3.9280420218
 C      0.9889702925     -1.3401129561     -3.4662142732
 C      1.7612350536     -1.9785183223     -2.5408141388
 C      2.1565905794     -2.5122659181     -1.5049047413
 C      2.3320103184     -2.7673052564     -0.1842289085
 C      2.3558260384     -2.4357267951      0.9649390518
 C      2.0743764346     -1.9604655416      2.2288956624
 C      1.4904082431     -1.2242070026      3.0127998503
18
# ORCA AIMD Position Step 1228, t=1228.00 fs, E_Pot=-685.23289538 Hartree, Unit is Angstrom
 C      0.7241802478     -0.3301051212      3.6667051528
 C     -0.0502459401      0.5862581065      3.7702045486
 C     -0.9598075633      1.4607448468      3.3521769491
 C     -1.7181961818      1.9689795759      2.5563645770
 C     -2.0993594085      2.3207034152      1.3077225885
 C     -2.4269348068      2.3118584634      0.1276932824
 C     -2.5981116295      2.0388213040     -1.1680945758
 C     -2.4012565400      1.4110146172     -2.1806123482
 C     -1.7828394155      0.7423146136     -3.2112979774
 C     -0.9362301110      0.1271116113     -3.8094733431
 C      0.1564479402     -0.6328415625     -3.9352714616
 C      0.9901745799     -1.3386537111     -3.4742630888
 C      1.7635970316     -1.9823872721     -2.5409274517
 C      2.1540956322     -2.5084477437     -1.5139663118
 C      2.3299217863     -2.7692408227     -0.1845101272
 C      2.3539778843     -2.4390194054      0.9613614592
 C      2.0667634871     -1.9674017075      2.2259546167
 C      1.4870078900     -1.2304086008      3.0202565164
18
# ORCA AIMD Position Step 1229, t=1229.00 fs, E_Pot=-685.23356187 Hartree, Unit is Angstrom
 C      0.7222142379     -0.3333540088      3.6717543711
 C     -0.0510493242      0.5824498785      3.7732096409
 C     -0.9569227646      1.4619263290      3.3599692043
 C     -1.7173062373      1.9691979173      2.5579117623
 C     -2.1035326721      2.3216708332      1.3057680631
 C     -2.4203307709      2.3068583099      0.1301484341
 C     -2.5953613724      2.0468937729     -1.1670739795
 C     -2.4040026935      1.4208224356     -2.1831487266
 C     -1.7803283820      0.7446125642     -3.2051086411
 C     -0.9346900221      0.1277923577     -3.8112200182
 C      0.1591648801     -0.6261319627     -3.9434325342
 C      0.9937950328     -1.3389049482     -3.4808967195
 C      1.7657021083     -1.9865597691     -2.5413186185
 C      2.1513776960     -2.5045005084     -1.5232008137
 C      2.3281129816     -2.7710420878     -0.1870371154
 C      2.3518643164     -2.4420282809      0.9607361407
 C      2.0586988574     -1.9738443528      2.2226809227
 C      1.4843502570     -1.2375299731      3.0272596754
18
# ORCA AIMD Position Step 1230, t=1230.00 fs, E_Pot=-685.23446417 Hartree, Unit is Angstrom
 C      0.7210745624     -0.3373583051      3.6767146323
 C     -0.0520561404      0.5787706312      3.7765988374
 C     -0.9547895227      1.4636094411      3.3677008967
 C     -1.7159682538      1.9697519972      2.5589446859
 C     -2.1083297503      2.3225875991      1.3039117998
 C     -2.4137544628      2.3021947355      0.1336545484
 C     -2.5925468051      2.0547634859     -1.1661075412
 C     -2.4062505718      1.4302317164     -2.1871897650
 C     -1.7785262089      0.7476873256     -3.1981993157
 C     -0.9337067559      0.1288668010     -3.8129988537
 C      0.1610669624     -0.6189599549     -3.9523043738
 C      0.9995495255     -1.3406391932     -3.4862159449
 C      1.7671460530     -1.9905279518     -2.5429231691
 C      2.1487906264     -2.5008961439     -1.5315297071
 C      2.3265632112     -2.7726276228     -0.1918918739
 C      2.3494682240     -2.4448127878      0.9628310687
 C      2.0500746053     -1.9795891448      2.2193770153
 C      1.4825290115     -1.2457002384      3.0335920247
18
# ORCA AIMD Position Step 1231, t=1231.00 fs, E_Pot=-685.23530216 Hartree, Unit is Angstrom
 C      0.7207973814     -0.3421723013      3.6815517335
 C     -0.0532558135      0.5752300235      3.7803766136
 C     -0.9536341062      1.4659404921      3.3750903061
 C     -1.7140328556      1.9705325464      2.5595775156
 C     -2.1134853930      2.3233964204      1.3029296138
 C     -2.4074051427      2.2978920845      0.1375602331
 C     -2.5896458845      2.0623208138     -1.1653448677
 C     -2.4080265944      1.4393335727     -2.1924729565
 C     -1.7771741228      0.7513413982     -3.1908573771
 C     -0.9335653079      0.1305522932     -3.8146116724
 C      0.1627708382     -0.6118609968     -3.9615505169
 C      1.0068701251     -1.3433900592     -3.4905092200
 C      1.7676152342     -1.9938684923     -2.5465356547
 C      2.1466527929     -2.4980507558     -1.5380202909
 C      2.3252633311     -2.7738336648     -0.1986835074
 C      2.3467856020     -2.4475476999      0.9669700740
 C      2.0408514263     -1.9845223939      2.2162811739
 C      1.4815384703     -1.2549196218      3.0391652891
18
# ORCA AIMD Position Step 1232, t=1232.00 fs, E_Pot=-685.23602443 Hartree, Unit is Angstrom
 C      0.7213478676     -0.3477687981      3.6862320024
 C     -0.0545931825      0.5717779918      3.7845174987
 C     -0.9535787929      1.4689838425      3.3819399115
 C     -1.7114080620      1.9714621981      2.5598924583
 C     -2.1187496249      2.3240555219      1.3035601498
 C     -2.4014776482      2.2939564894      0.1411727177
 C     -2.5866248537      2.0694424539     -1.1649461130
 C     -2.4093943130      1.4482786430     -2.1986336956
 C     -1.7760124000      0.7553690465     -3.1833952999
 C     -0.9344592917      0.1329979067     -3.8158830860
 C      0.1649197984     -0.6054017175     -3.9707912262
 C      1.0150362230     -1.3465627572     -3.4941818165
 C      1.7669641747     -1.9963438280     -2.5526142635
 C      2.1451690982     -2.4962243046     -1.5421007615
 C      2.3242151969     -2.7744547285     -0.2066649699
 C      2.3438236580     -2.4504786159      0.9721892877
 C      2.0310646278     -1.9886372569      2.2135324171
 C      1.4812704326     -1.2650582602      3.0440319249
18
# ORCA AIMD Position Step 1233, t=1233.00 fs, E_Pot=-685.23668923 Hartree, Unit is Angstrom
 C      0.7226229551     -0.3540445498      3.6907253579
 C     -0.0559846884      0.5683259261      3.7889692340
 C     -0.9546230432      1.4727033404      3.3881541490
 C     -1.7080648843      1.9725019644      2.5599419781
 C     -2.1239279615      2.3245394592      1.3063538614
 C     -2.3961286031      2.2903859979      0.1439076504
 C     -2.5834464460      2.0760074598     -1.1650565360
 C     -2.4104394498      1.4572495235     -2.2052619861
 C     -1.7748189630      0.7595822272     -3.1761130073
 C     -0.9364272710      0.1362448898     -3.8166916423
 C      0.1680227629     -0.6000504801     -3.9796654485
 C      1.0233063804     -1.3495438636     -3.4976861336
 C      1.7652606173     -1.9979648772     -2.5611487410
 C      2.1443840614     -2.4954613549     -1.5436896174
 C      2.3234248924     -2.7742892240     -0.2149144768
 C      2.3405978805     -2.4538630788      0.9774466643
 C      2.0208215130     -1.9920321855      2.2111463283
 C      1.4815329551     -1.2758766828      3.0483704466
18
# ORCA AIMD Position Step 1234, t=1234.00 fs, E_Pot=-685.23721449 Hartree, Unit is Angstrom
 C      0.7244615213     -0.3608298548      3.6950093318
 C     -0.0573338087      0.5647633785      3.7936523083
 C     -0.9566404614      1.4769622728      3.3937480852
 C     -1.7040367210      1.9736479532      2.5597501704
 C     -2.1289134885      2.3248390050      1.3115377937
 C     -2.3914455643      2.2871795331      0.1454378570
 C     -2.5800788265      2.0819181599     -1.1657863280
 C     -2.4112537794      1.4664219548     -2.2119658161
 C     -1.7734342907      0.7638358176     -3.1692649923
 C     -0.9393274478      0.1402081399     -3.8169863588
 C      0.1723555961     -0.5960946333     -3.9878758395
 C      1.0310182538     -1.3517877758     -3.5014570522
 C      1.7627803645     -1.9989889371     -2.5716506653
 C      2.1441743829     -2.4955869560     -1.5432086161
 C      2.3229004701     -2.7731798631     -0.2225086971
 C      2.3371263219     -2.4579181253      0.9818090033
 C      2.0102942161     -1.9949006692      2.2090090333
 C      1.4820719188     -1.2870524135      3.0524607068
18
# ORCA AIMD Position Step 1235, t=1235.00 fs, E_Pot=-685.23739542 Hartree, Unit is Angstrom
 C      0.7266605047     -0.3679074084      3.6990731289
 C     -0.0585478756      0.5609801818      3.7984679564
 C     -0.9593979035      1.4815381204      3.3988328105
 C     -1.6994013641      1.9749209336      2.5593334907
 C     -2.1336997213      2.3249602480      1.3189483325
 C     -2.3874393461      2.2843440689      0.1457630809
 C     -2.5765006669      2.0871110702     -1.1671934013
 C     -2.4119229451      1.4759425711     -2.2184134789
 C     -1.7717698706      0.7680362048     -3.1630441744
 C     -0.9428506825      0.1446870695     -3.8167907064
 C      0.1779338868     -0.5936138832     -3.9952084370
 C      1.0376477267     -1.3528667333     -3.5058706002
 C      1.7599481245     -1.9998489253     -2.5832797745
 C      2.1442933400     -2.4962713177     -1.5414547449
 C      2.3226473798     -2.7710325519     -0.2286495389
 C      2.3334242224     -2.4627892308      0.9845736804
 C      1.9996958402     -1.9974996968      2.2068989293
 C      1.4826091472     -1.2982282230      3.0566365929
18
# ORCA AIMD Position Step 1236, t=1236.00 fs, E_Pot=-685.23713717 Hartree, Unit is Angstrom
 C      0.7289933713     -0.3750326158      3.7029236919
 C     -0.0595518555      0.5568822186      3.8033067959
 C     -0.9625841715      1.4861480646      3.4035969862
 C     -1.6942667282      1.9763564859      2.5587080482
 C     -2.1383711484      2.3249216005      1.3280484953
 C     -2.3840496918      2.2818958887      0.1452081063
 C     -2.5727053451      2.0915748714     -1.1692599912
 C     -2.4125143569      1.4859006219     -2.2243829503
 C     -1.7697964179      0.7721405366     -3.1575782549
 C     -0.9465787122      0.1494060847     -3.8161859106
 C      0.1845297098     -0.5924867441     -4.0015473149
 C      1.0428588415     -1.3525136126     -3.5112006175
 C      1.7572498873     -2.0010518943     -2.5950305454
 C      2.1444334007     -2.4971148075     -1.5394075534
 C      2.3226668069     -2.7678209434     -0.2327678414
 C      2.3294962817     -2.4685356040      0.9853383862
 C      1.9892478302     -2.0001051078      2.2045358779
 C      1.4828870721     -1.3090731645      3.0612218689
18
# ORCA AIMD Position Step 1237, t=1237.00 fs, E_Pot=-685.23660560 Hartree, Unit is Angstrom
 C      0.7312276121     -0.3819543691      3.7065853837
 C     -0.0602953011      0.5524025182      3.8080593740
 C     -0.9658547286      1.4904841565      3.4082668143
 C     -1.6887391582      1.9779868464      2.5579193307
 C     -2.1430776886      2.3247544646      1.3380311367
 C     -2.3811741603      2.2798583507      0.1443155280
 C     -2.5686990264      2.0953452574     -1.1718898298
 C     -2.4130723355      1.4963298983     -2.2297610530
 C     -1.7675325091      0.7761476223     -3.1529380871
 C     -0.9500453781      0.1540575616     -3.8152942622
 C      0.1917337069     -0.5924345557     -4.0068670323
 C      1.0465162549     -1.3506326069     -3.5175952750
 C      1.7551377983     -2.0030707472     -2.6059421034
 C      2.1442966672     -2.4977393003     -1.5380191408
 C      2.3229532438     -2.7635774934     -0.2345727722
 C      2.3253357975     -2.4751350287      0.9840044129
 C      1.9791411303     -2.0029594258      2.2016509209
 C      1.4827102985     -1.3193379811      3.0664671530
18
# ORCA AIMD Position Step 1238, t=1238.00 fs, E_Pot=-685.23612036 Hartree, Unit is Angstrom
 C      0.7331397120     -0.3884326355      3.7100997829
 C     -0.0607543870      0.5475075701      3.8126270256
 C     -0.9688769087      1.4942483276      3.4130649321
 C     -1.6829025528      1.9798293806      2.5570555990
 C     -2.1479973409      2.3244991851      1.3479629900
 C     -2.3786986560      2.2782587484      0.1437144680
 C     -2.5645003623      2.0985038284     -1.1749017929
 C     -2.4136140629      1.5072045837     -2.2345490108
 C     -1.7650178395      0.7800774617     -3.1491573060
 C     -0.9528124763      0.1583559566     -3.8142489572
 C      0.1990153139     -0.5930676386     -4.0112242737
 C      1.0486996083     -1.3473129175     -3.5250516767
 C      1.7539558528     -2.0062643328     -2.6152469398
 C      2.1436430702     -2.4978445224     -1.5380609943
 C      2.3234922580     -2.7583831043     -0.2340907442
 C      2.3209257685     -2.4824935739      0.9807580888
 C      1.9695018063     -2.0062208273      2.1980632825
 C      1.4819819963     -1.3289036767      3.0724863280
18
# ORCA AIMD Position Step 1239, t=1239.00 fs, E_Pot=-685.23589229 Hartree, Unit is Angstrom
 C      0.7345324727     -0.3942579131      3.7135186885
 C     -0.0609315905      0.5422000353      3.8169286374
 C     -0.9713686728      1.4971832436      3.4181707261
 C     -1.6768045019      1.9818790568      2.5562488341
 C     -2.1532980469      2.3241998759      1.3569405132
 C     -2.3765253312      2.2771238349      0.1439880493
 C     -2.5601388175      2.1011670956     -1.1780409644
 C     -2.4141286755      1.5184434339     -2.2388472750
 C     -1.7622960761      0.7839574449     -3.1462485562
 C     -0.9545203563      0.1620723847     -3.8131724855
 C      0.2057811125     -0.5939305518     -4.0147414176
 C      1.0496958509     -1.3428269067     -3.5334048589
 C      1.7538904501     -2.0108215144     -2.6224716765
 C      2.1423213962     -2.4972436987     -1.5400188783
 C      2.3242591203     -2.7523567101     -0.2316795873
 C      2.3162421843     -2.4904576766      0.9760375349
 C      1.9603745664     -2.0099360756      2.1937312734
 C      1.4807143369     -1.3377943022      3.0792271951
18
# ORCA AIMD Position Step 1240, t=1240.00 fs, E_Pot=-685.23587296 Hartree, Unit is Angstrom
 C      0.7352557191     -0.3992730004      3.7168981723
 C     -0.0608620800      0.5365280355      3.8209036044
 C     -0.9731230864      1.4990941007      3.4236924195
 C     -1.6704542654      1.9841028910      2.5556665751
 C     -2.1591062107      2.3238987998      1.3642133794
 C     -2.3745918306      2.2764710330      0.1455595790
 C     -2.5556493319      2.1034791931     -1.1809815909
 C     -2.4145830768      1.5299213477     -2.2428244247
 C     -1.7593942647      0.7878067164     -3.1442256479
 C     -0.9549239045      0.1650568224     -3.8121536586
 C      0.2114253853     -0.5945402059     -4.0175935400
 C      1.0499648289     -1.3376061581     -3.5423449292
 C      1.7549581835     -2.0167429510     -2.6274744733
 C      2.1402836910     -2.4958785473     -1.5440344788
 C      2.3252206527     -2.7456460548     -0.2280269245
 C      2.3112575017     -2.4988284385      0.9704923788
 C      1.9517200161     -2.0140322341      2.1887807300
 C      1.4790200103     -1.3461692769      3.0864671500
18
# ORCA AIMD Position Step 1241, t=1241.00 fs, E_Pot=-685.23584941 Hartree, Unit is Angstrom
 C      0.7352273268     -0.4033985858      3.7202848491
 C     -0.0606162011      0.5305859808      3.8245165153
 C     -0.9740242122      1.4998641048      3.4296490528
 C     -1.6638293264      1.9864442391      2.5554882187
 C     -2.1654803665      2.3236278961      1.3692959504
 C     -2.3728813965      2.2763054451      0.1486200241
 C     -2.5510673465      2.1055936923     -1.1833620921
 C     -2.4149259003      1.5414868338     -2.2466831363
 C     -1.7563166550      0.7916314294     -3.1431096265
 C     -0.9539086926      0.1672495996     -3.8112372723
 C      0.2153968874     -0.5944412238     -4.0199786281
 C      1.0500730005     -1.3321854344     -3.5514609074
 C      1.7570070247     -2.0238384150     -2.6304630883
 C      2.1375916068     -2.4938218843     -1.5498946702
 C      2.3263387770     -2.7384170538     -0.2240815266
 C      2.3059438180     -2.5073824533      0.9649202694
 C      1.9434315230     -2.0183415047      2.1834844193
 C      1.4770773670     -1.3542783843      3.0938580910
18
# ORCA AIMD Position Step 1242, t=1242.00 fs, E_Pot=-685.23568365 Hartree, Unit is Angstrom
 C      0.7344484121     -0.4066562537      3.7237012655
 C     -0.0602995940      0.5245160655      3.8277601996
 C     -0.9740434895      1.4994485367      3.4359752078
 C     -1.6568985129      1.9888435519      2.5558607159
 C     -2.1723917634      2.3233953328      1.3720451607
 C     -2.3714225305      2.2766226167      0.1531053216
 C     -2.5464252469      2.1076483581     -1.1848335909
 C     -2.4150879114      1.5529839400     -2.2506311031
 C     -1.7530530835      0.7954288947     -3.1429219656
 C     -0.9514810178      0.1686786516     -3.8104262326
 C      0.2172651142     -0.5932687346     -4.0220765188
 C      1.0506007016     -1.3271179625     -3.5603134605
 C      1.7597375375     -2.0317498963     -2.6319731974
 C      2.1344153522     -2.4912676498     -1.5570541992
 C      2.3275722034     -2.7308339958     -0.2209278058
 C      2.3002729272     -2.5158970628      0.9601736280
 C      1.9353692155     -2.0226549115      2.1781925292
 C      1.4750798851     -1.3623924734      3.1010061075
18
# ORCA AIMD Position Step 1243, t=1243.00 fs, E_Pot=-685.23544725 Hartree, Unit is Angstrom
 C      0.7330098975     -0.4091740814      3.7271422612
 C     -0.0600450179      0.5184959644      3.8306509634
 C     -0.9732300843      1.4978739426      3.4425314177
 C     -1.6496364123      1.9912401936      2.5568832830
 C     -2.1797216861      2.3231879803      1.3726751986
 C     -2.3702867735      2.2774048353      0.1586917128
 C     -2.5417448020      2.1097467077     -1.1851116498
 C     -2.4149958963      1.5642787436     -2.2548255855
 C     -1.7495783619      0.7991922456     -3.1436863650
 C     -0.9477621711      0.1694495726     -3.8096820141
 C      0.2168118413     -0.5908241724     -4.0240082666
 C      1.0520160442     -1.3228651343     -3.5685219614
 C      1.7627522691     -2.0400007862     -2.6328013819
 C      2.1310121982     -2.4885048699     -1.5647148831
 C      2.3288833044     -2.7230356478     -0.2195839936
 C      2.2942211321     -2.5241896070      0.9569980157
 C      1.9273865600     -2.0267610725      2.1732831443
 C      1.4731899281     -1.3707455403      3.1075411619
18
# ORCA AIMD Position Step 1244, t=1244.00 fs, E_Pot=-685.23534112 Hartree, Unit is Angstrom
 C      0.7310855182     -0.4111793197      3.7305696366
 C     -0.0600017009      0.5127252067      3.8332254464
 C     -0.9716923695      1.4952241306      3.4491254461
 C     -1.6420421168      1.9935829871      2.5585892413
 C     -2.1872668222      2.3229712878      1.3717347729
 C     -2.3695789918      2.2786258166      0.1648355525
 C     -2.5370346856      2.1119386849     -1.1840293010
 C     -2.4145767648      1.5752743983     -2.2593394847
 C     -1.7458687081      0.8029196932     -3.1454154630
 C     -0.9429663088      0.1697309331     -3.8089373884
 C      0.2140968999     -0.5871333602     -4.0258003190
 C      1.0545748353     -1.3197065325     -3.5758339605
 C      1.7656104832     -2.0480586510     -2.6338981742
 C      2.1276935967     -2.4858756073     -1.5719436927
 C      2.3302368939     -2.7151144140     -0.2207873482
 C      2.2877763323     -2.5321442033      0.9558669937
 C      1.9193606753     -2.0304896682      2.1690965973
 C      1.4715026234     -1.3794812701      3.1131846337
18
# ORCA AIMD Position Step 1245, t=1245.00 fs, E_Pot=-685.23545149 Hartree, Unit is Angstrom
 C      0.7289092064     -0.4129729943      3.7339163788
 C     -0.0603141162      0.5074016539      3.8355346402
 C     -0.9695767439      1.4916251810      3.4555380262
 C     -1.6341493263      1.9958343348      2.5609447916
 C     -2.1947611022      2.3226966569      1.3700289140
 C     -2.3694221518      2.2802529975      0.1708431280
 C     -2.5322919751      2.1142084966     -1.1815727782
 C     -2.4137616238      1.5859203972     -2.2641391569
 C     -1.7419162492      0.8066293667     -3.1480977047
 C     -0.9373787468      0.1697336660     -3.8081109533
 C      0.2094795942     -0.5824662191     -4.0273773736
 C      1.0582735872     -1.3176963106     -3.5821568481
 C      1.7678976144     -2.0554147157     -2.6362111157
 C      2.1247689939     -2.4837103525     -1.5778408071
 C      2.3315958222     -2.7071077445     -0.2248149110
 C      2.2809492155     -2.5397234260      0.9568471580
 C      1.9112142643     -2.0337395739      2.1658861704
 C      1.4700254632     -1.3886224896      3.1177911528
18
# ORCA AIMD Position Step 1246, t=1246.00 fs, E_Pot=-685.23568250 Hartree, Unit is Angstrom
 C      0.7267355232     -0.4148841215      3.7370945599
 C     -0.0610935524      0.5026869388      3.8376368677
 C     -0.9670472610      1.4872295388      3.4615474485
 C     -1.6260291150      1.9979720930      2.5638590841
 C     -2.2019079178      2.3223081010      1.3684889412
 C     -2.3699365105      2.2822537783      0.1759865106
 C     -2.5275066152      2.1164779698     -1.1778940271
 C     -2.4124845909      1.5962064644     -2.2690908545
 C     -1.7377452669      0.8103668050     -3.1516840482
 C     -0.9313277990      0.1696941375     -3.8071217189
 C      0.2035794966     -0.5773017917     -4.0285853762
 C      1.0628660026     -1.3166763659     -3.5875485366
 C      1.7692959306     -2.0616686424     -2.6404916216
 C      2.1224811181     -2.4822539161     -1.5817450587
 C      2.3329163230     -2.6990072196     -0.2314081218
 C      2.2737783659     -2.5469603539      0.9595619464
 C      1.9029291347     -2.0364977882      2.1637802936
 C      1.4686767619     -1.3980600976      3.1213725381
18
# ORCA AIMD Position Step 1247, t=1247.00 fs, E_Pot=-685.23580389 Hartree, Unit is Angstrom
 C      0.7248084881     -0.4172268193      3.7400156941
 C     -0.0624018705      0.4986799300      3.8395912475
 C     -0.9642729711      1.4822109749      3.4669479318
 C     -1.6177783831      1.9999810233      2.5672082485
 C     -2.2084208947      2.3217535433      1.3680073143
 C     -2.3712196449      2.2845976292      0.1796356263
 C     -2.5226623043      2.1186211287     -1.1733002561
 C     -2.4106875575      1.6061560417     -2.2739731563
 C     -1.7334261978      0.8142204628     -3.1560776684
 C     -0.9251483338      0.1698454941     -3.8059061735
 C      0.1971888106     -0.5722468716     -4.0292349175
 C      1.0679253957     -1.3163409957     -3.5921777022
 C      1.7696455951     -2.0665969925     -2.6471267863
 C      2.1209511247     -2.4816068931     -1.5834111277
 C      2.3341488449     -2.6907813248     -0.2398400875
 C      2.2663257596     -2.5539309549      0.9632835277
 C      1.8945443476     -2.0388341376      2.1627741069
 C      1.4673045105     -1.4075812314      3.1240790144
18
# ORCA AIMD Position Step 1248, t=1248.00 fs, E_Pot=-685.23556260 Hartree, Unit is Angstrom
 C      0.7233086781     -0.4202447726      3.7425983435
 C     -0.0642168529      0.4953828505      3.8414555365
 C     -0.9614077998      1.4767400303      3.4715719356
 C     -1.6095207019      2.0018626002      2.5708387813
 C     -2.2140571938      2.3209821379      1.3692697991
 C     -2.3733211866      2.2872653239      0.1814194670
 C     -2.5177473501      2.1204860342     -1.1682067435
 C     -2.4083100376      1.6158024741     -2.2785403740
 C     -1.7290762743      0.8183256734     -3.1611280308
 C     -0.9191484523      0.1703962872     -3.8044280004
 C      0.1911284209     -0.5679317148     -4.0291503012
 C      1.0729687826     -1.3163246237     -3.5962655123
 C      1.7689653623     -2.0701864308     -2.6560515204
 C      2.1201430748     -2.4816906084     -1.5830953354
 C      2.3352383715     -2.6824032072     -0.2490806169
 C      2.2586719567     -2.5607134390      0.9671146245
 C      1.8861575743     -2.0409068884      2.1627091786
 C      1.4656994575     -1.4168894222      3.1261869252
18
# ORCA AIMD Position Step 1249, t=1249.00 fs, E_Pot=-685.23483552 Hartree, Unit is Angstrom
 C      0.7223273871     -0.4240750518      3.7447822045
 C     -0.0664262509      0.4926851432      3.8432816209
 C     -0.9585817658      1.4709784852      3.4753011062
 C     -1.6013884824      2.0036276413      2.5745894709
 C     -2.2186503721      2.3199553908      1.3726183410
 C     -2.3762337443      2.2902479542      0.1813309285
 C     -2.5127548706      2.1219252678     -1.1630832465
 C     -2.4052892017      1.6251689791     -2.2825623745
 C     -1.7248556327      0.8228544349     -3.1666433245
 C     -0.9135743819      0.1715062299     -3.8026845233
 C      0.1861392655     -0.5649065397     -4.0282023003
 C      1.0775337616     -1.3162792259     -3.6000389555
 C      1.7674376883     -2.0726097367     -2.6667842601
 C      2.1198827269     -2.4822765014     -1.5815035762
 C      2.3361337423     -2.6738675325     -0.2580130949
 C      2.2508972228     -2.5673624711      0.9701875825
 C      1.8779067326     -2.0429369644      2.1633046750
 C      1.4636289981     -1.4256537876      3.1280487200
18
# ORCA AIMD Position Step 1250, t=1250.00 fs, E_Pot=-685.23376153 Hartree, Unit is Angstrom
 C      0.7218543515     -0.4287349905      3.7465372412
 C     -0.0688345705      0.4903737763      3.8451128072
 C     -0.9558946929      1.4650660185      3.4780687436
 C     -1.5935185362      2.0052993659      2.5782964505
 C     -2.2221152613      2.3186439104      1.3780071517
 C     -2.3798899185      2.2935495971      0.1797582206
 C     -2.5076876845      2.1228119318     -1.1583973067
 C     -2.4015582061      1.6342579287     -2.2858686899
 C     -1.7209522242      0.8280082638     -3.1724023170
 C     -0.9085807178      0.1732720166     -3.8007067271
 C      0.1827720544     -0.5635693336     -4.0263269710
 C      1.0812609468     -1.3159385947     -3.6036882314
 C      1.7653520588     -2.0741622171     -2.6785701915
 C      2.1199078637     -2.4830458375     -1.5796284241
 C      2.3367918012     -2.6651965821     -0.2656214373
 C      2.2430639753     -2.5738878690      0.9718284327
 C      1.8699488145     -2.0451780436      2.1641987743
 C      1.4608741919     -1.4335625464      3.1300280470
18
# ORCA AIMD Position Step 1251, t=1251.00 fs, E_Pot=-685.23273054 Hartree, Unit is Angstrom
 C      0.7217856684     -0.4341297974      3.7478644361
 C     -0.0711894423      0.4881643550      3.8469840768
 C     -0.9534128098      1.4591124058      3.4798558849
 C     -1.5860437371      2.0069098780      2.5818080386
 C     -2.2244421365      2.3170310524      1.3850474872
 C     -2.3841751623      2.2971811318      0.1774011496
 C     -2.5025593193      2.1230559155     -1.1545518231
 C     -2.3970523322      1.6430499392     -2.2883646132
 C     -1.7175561951      0.8339900104     -3.1781821743
 C     -0.9042146928      0.1757197507     -3.7985573417
 C      0.1813258216     -0.5641212764     -4.0235253818
 C      1.0839361726     -1.3151522940     -3.6073444675
 C      1.7630383838     -2.0751869415     -2.6905533984
 C      2.1199331687     -2.4836612949     -1.5785246903
 C      2.3371773934     -2.6564360147     -0.2711329173
 C      2.2352100542     -2.5802513317      0.9716304359
 C      1.8624310944     -2.0478742980      2.1650215595
 C      1.4572659588     -1.4403751885      3.1324283277
18
# ORCA AIMD Position Step 1252, t=1252.00 fs, E_Pot=-685.23221970 Hartree, Unit is Angstrom
 C      0.7219422190     -0.4400711687      3.7487987979
 C     -0.0732101270      0.4857371648      3.8489217742
 C     -0.9511708819      1.4532003562      3.4806816174
 C     -1.5790879618      2.0084946192      2.5849910401
 C     -2.2256824637      2.3151166566      1.3931123397
 C     -2.3889443857      2.3011527155      0.1751461715
 C     -2.4973936841      2.1226122351     -1.1518467178
 C     -2.3917153601      1.6515003739     -2.2900407182
 C     -1.7148259465      0.8409735714     -3.1837844446
 C     -0.9004381522      0.1788164876     -3.7963136370
 C      0.1818268905     -0.5665511579     -4.0198590851
 C      1.0855073418     -1.3139000102     -3.6110710605
 C      1.7608196454     -2.0760180120     -2.7019117710
 C      2.1197032784     -2.4838231959     -1.5791255684
 C      2.3372599050     -2.6476482364     -0.2741032983
 C      2.2273474727     -2.5863709150      0.9694745024
 C      1.8554627330     -2.0512132516      2.1654745173
 C      1.4527206278     -1.4459708549      3.1354182085
18
# ORCA AIMD Position Step 1253, t=1253.00 fs, E_Pot=-685.23250829 Hartree, Unit is Angstrom
 C      0.7221007578     -0.4463053162      3.7494041818
 C     -0.0746310445      0.4827876942      3.8509437373
 C     -0.9491750178      1.4473857911      3.4805909050
 C     -1.5727597785      2.0100852234      2.5877438247
 C     -2.2259294089      2.3129203301      1.4014617490
 C     -2.3940407379      2.3054606337      0.1738949250
 C     -2.4922251974      2.1214889848     -1.1504312462
 C     -2.3855114705      1.6595455516     -2.2909635335
 C     -1.7128565393      0.8490673256     -3.1890670089
 C     -0.8971536579      0.1824896941     -3.7940496367
 C      0.1840340868     -0.5706389698     -4.0154449986
 C      1.0860883478     -1.3122980068     -3.6148584116
 C      1.7589728981     -2.0769353804     -2.7119535280
 C      2.1190317654     -2.4833069702     -1.5820899923
 C      2.3370115719     -2.6389049607     -0.2744737187
 C      2.2194684576     -2.5921336856      0.9655127756
 C      1.8490908167     -2.0552874932      2.1653975901
 C      1.4472661812     -1.4503807058      3.1389806587
18
# ORCA AIMD Position Step 1254, t=1254.00 fs, E_Pot=-685.23348334 Hartree, Unit is Angstrom
 C      0.7220250395     -0.4525486949      3.7497709217
 C     -0.0752388516      0.4790732880      3.8530574488
 C     -0.9474098900      1.4417023207      3.4796444626
 C     -1.5671441497      2.0117004094      2.5900071359
 C     -2.2253006620      2.3104823080      1.4093592366
 C     -2.3993114290      2.3100797021      0.1744117997
 C     -2.4870980193      2.1197499988     -1.1502727528
 C     -2.3784345062      1.6671124207     -2.2912605697
 C     -1.7116512195      0.8582835151     -3.1939647281
 C     -0.8942468447      0.1866535005     -3.7918204643
 C      0.1874689157     -0.5759784392     -4.0104497394
 C      1.0859539515     -1.3105927400     -3.6186245714
 C      1.7577064207     -2.0781401924     -2.7201789720
 C      2.1178237523     -2.4819826833     -1.5877153871
 C      2.3364034241     -2.6302820342     -0.2725850615
 C      2.2115513081     -2.5974076489      0.9601327477
 C      1.8432936231     -2.0600765413      2.1648049231
 C      1.4410487631     -1.4537958282      3.1428970071
18
# ORCA AIMD Position Step 1255, t=1255.00 fs, E_Pot=-685.23468566 Hartree, Unit is Angstrom
 C      0.7215012052     -0.4585299128      3.7500062517
 C     -0.0749074732      0.4744521806      3.8552626583
 C     -0.9458427575      1.4361626815      3.4779083667
 C     -1.5622920918      2.0133401213      2.5917739093
 C     -2.2239241481      2.3078603425      1.4161690418
 C     -2.4046232675      2.3149591469      0.1772054984
 C     -2.4820621456      2.1175127516     -1.1511439955
 C     -2.3705119972      1.6741332355     -2.2910996996
 C     -1.7111090328      0.8685261243     -3.1985042390
 C     -0.8916210337      0.1912354234     -3.7896481031
 C      0.1914763394     -0.5820222197     -4.0050784730
 C      1.0855140296     -1.3091398606     -3.6222269909
 C      1.7571414779     -2.0797373305     -2.7263268426
 C      2.1160849529     -2.4798223073     -1.5959062122
 C      2.3354093737     -2.6218515012     -0.2691403442
 C      2.2035623771     -2.6020605619      0.9539087448
 C      1.8379825200     -2.0654558754      2.1638747379
 C      1.4343155384     -1.4565459078      3.1467784829
18
# ORCA AIMD Position Step 1256, t=1256.00 fs, E_Pot=-685.23559590 Hartree, Unit is Angstrom
 C      0.7203707487     -0.4640344087      3.7502223809
 C     -0.0736199062      0.4689060583      3.8575526531
 C     -0.9444281393      1.4307608677      3.4754457378
 C     -1.5582132160      2.0149819485      2.5930921439
 C     -2.2219245013      2.3051230841      1.4214271163
 C     -2.4098750930      2.3200258133      0.1824642400
 C     -2.4771686443      2.1149373083     -1.1526435910
 C     -2.3618010712      1.6805605508     -2.2906628889
 C     -1.7110325004      0.8796032688     -3.2027993991
 C     -0.8892220471      0.1961944257     -3.7875173027
 C      0.1953178667     -0.5881556135     -3.9995528740
 C      1.0852590017     -1.3083568963     -3.6254884697
 C      1.7573006005     -2.0817256018     -2.7304070232
 C      2.1139204639     -2.4768995312     -1.6061967204
 C      2.3340102547     -2.6136726263     -0.2651042474
 C      2.1954565066     -2.6059775430      0.9475314661
 C      1.8330202540     -2.0712308968      2.1628998317
 C      1.4273737391     -1.4590481586      3.1501379479
18
# ORCA AIMD Position Step 1257, t=1257.00 fs, E_Pot=-685.23595182 Hartree, Unit is Angstrom
 C      0.7185634161     -0.4689523222      3.7505163689
 C     -0.0714825100      0.4625569106      3.8599173312
 C     -0.9431071820      1.4254685352      3.4723141430
 C     -1.5548819299      2.0165854160      2.5940508185
 C     -2.2194061148      2.3023414368      1.4248850850
 C     -2.4150045200      2.3251904379      0.1900514196
 C     -2.4724665840      2.1122098169     -1.1542468972
 C     -2.3523798216      1.6863766805     -2.2901186895
 C     -1.7111611080      0.8912594253     -3.2070299076
 C     -0.8870295681      0.2015172628     -3.7853880660
 C      0.1982746244     -0.5937799489     -3.9940788660
 C      1.0856780160     -1.3086559417     -3.6282313967
 C      1.7581052460     -2.0839979522     -2.7327112057
 C      2.1115253098     -2.4733814956     -1.6178129152
 C      2.3321967821     -2.6057886750     -0.2615476829
 C      2.1871819389     -2.6090721919      0.9417149344
 C      1.8282482832     -2.0771861972      2.1622108211
 C      1.4205358635     -1.4617320531      3.1524864744
18
# ORCA AIMD Position Step 1258, t=1258.00 fs, E_Pot=-685.23585765 Hartree, Unit is Angstrom
 C      0.7161151351     -0.4733044222      3.7509578217
 C     -0.0687178482      0.4556583948      3.8623433699
 C     -0.9418118415      1.4202403258      3.4685657848
 C     -1.5522486651      2.0180951346      2.5947614723
 C     -2.2164370771      2.2995812544      1.4265351592
 C     -2.4199907879      2.3303551130      0.1995251920
 C     -2.4680001173      2.1095234660     -1.1553762436
 C     -2.3423437859      1.6916007126     -2.2895907259
 C     -1.7112075930      0.9032149412     -3.2114082515
 C     -0.8850472294      0.2072088652     -3.7832116694
 C      0.1997668667     -0.5984112688     -3.9888112020
 C      1.0871514766     -1.3103541662     -3.6303278782
 C      1.7593885922     -2.0863572990     -2.7337871080
 C      2.1091689853     -2.4695176493     -1.6297460240
 C      2.3299638143     -2.5982238330     -0.2594698292
 C      2.1786896531     -2.6112911533      0.9370791704
 C      1.8235214466     -2.0831311078      2.1620987851
 C      1.4140689322     -1.4649697955      3.1534190527
18
# ORCA AIMD Position Step 1259, t=1259.00 fs, E_Pot=-685.23564119 Hartree, Unit is Angstrom
 C      0.7131723506     -0.4772520422      3.7515743044
 C     -0.0656381673      0.4485669304      3.8648200829
 C     -0.9404738855      1.4150249500      3.4642457448
 C     -1.5502517984      2.0194480777      2.5953388676
 C     -2.2130401811      2.2968972820      1.4266165129
 C     -2.4248545775      2.3354242060      0.2101966546
 C     -2.4638050646      2.1070490384     -1.1555015779
 C     -2.3317994346      1.6962907038     -2.2891246910
 C     -1.7109056197      0.9152059177     -3.2161412533
 C     -0.8832847279      0.2132768482     -3.7809488102
 C      0.1994678313     -0.6017671600     -3.9838200680
 C      1.0898444323     -1.3135879012     -3.6317454194
 C      1.7609231177     -2.0885477220     -2.7343675216
 C      2.1071670388     -2.4656122355     -1.6408661317
 C      2.3273021598     -2.5909901862     -0.2596096262
 C      2.1699514747     -2.6126107295      0.9340204987
 C      1.8187322927     -2.0889355944      2.1627559869
 C      1.4081542488     -1.4690139091      3.1526826127
18
# ORCA AIMD Position Step 1260, t=1260.00 fs, E_Pot=-685.23560086 Hartree, Unit is Angstrom
 C      0.7099786075     -0.4810815272      3.7523488592
 C     -0.0626160763      0.4417097087      3.8673376258
 C     -0.9390238547      1.4097670467      3.4594018222
 C     -1.5488301513      2.0205820038      2.5958826538
 C     -2.2091944625      2.2943305358      1.4255748617
 C     -2.4296497737      2.3403107708      0.2212085184
 C     -2.4599085914      2.1049203178     -1.1542034187
 C     -2.3208650264      1.7005438670     -2.2886707058
 C     -1.7100407161      0.9270108214     -3.2214023332
 C     -0.8817344365      0.2197118096     -3.7785859453
 C      0.1973476325     -0.6038016677     -3.9790812777
 C      1.0936469703     -1.3182618289     -3.6325784798
 C      1.7624755892     -2.0903158658     -2.7352271363
 C      2.1058365960     -2.4619807825     -1.6500719205
 C      2.3241885950     -2.5840950764     -0.2623266618
 C      2.1609771712     -2.6130339501      0.9326253045
 C      1.8138260793     -2.0945428740      2.1642469846
 C      1.4028686591     -1.4739675220      3.1502104987
18
# ORCA AIMD Position Step 1261, t=1261.00 fs, E_Pot=-685.23585260 Hartree, Unit is Angstrom
 C      0.7068295408     -0.4851521047      3.7532270275
 C     -0.0600290993      0.4355214789      3.8698848104
 C     -0.9373974215      1.4044158412      3.4540865733
 C     -1.5479290578      2.0214403576      2.5964692325
 C     -2.2048404846      2.2919070212      1.4240134486
 C     -2.4344577045      2.3449434511      0.2316114774
 C     -2.4563227656      2.1032157193     -1.1512348299
 C     -2.3096689846      1.7044926368     -2.2880699498
 C     -1.7084839617      0.9384827391     -3.2272976373
 C     -0.8803431863      0.2264612345     -3.7761503765
 C      0.1936650060     -0.6046998817     -3.9744829858
 C      1.0981674970     -1.3240411792     -3.6330475859
 C      1.7638624861     -2.0914705861     -2.7370300657
 C      2.1054459093     -2.4588973827     -1.6564551906
 C      2.3205772932     -2.5775503658     -0.2675299638
 C      2.1518245745     -2.6125789943      0.9326322701
 C      1.8088183882     -2.0999921442      2.1664726199
 C      1.3981738896     -1.4797627780      3.1461468352
18
# ORCA AIMD Position Step 1262, t=1262.00 fs, E_Pot=-685.23635448 Hartree, Unit is Angstrom
 C      0.7040139497     -0.4898223713      3.7541312345
 C     -0.0581989289      0.4303733986      3.8724456203
 C     -0.9355384565      1.3989298264      3.4483622536
 C     -1.5475028969      2.0219777398      2.5971482024
 C     -2.1999030700      2.2896410918      1.4225852312
 C     -2.4393685050      2.3492692725      0.2404915452
 C     -2.4530433982      2.1019548045     -1.1465449154
 C     -2.2983431939      1.7082907722     -2.2870732695
 C     -1.7062066891      0.9495660421     -3.2338467616
 C     -0.8790033245      0.2334198015     -3.7737145667
 C      0.1888846039     -0.6048091950     -3.9698617253
 C      1.1028085621     -1.3304136840     -3.6334653305
 C      1.7650088570     -2.0919453411     -2.7401520088
 C      2.1061566264     -2.4565348329     -1.6594866245
 C      2.3164051777     -2.5713781830     -0.2747190267
 C      2.1425962658     -2.6112738392      0.9334899822
 C      1.8037940856     -2.1054157266      2.1691726516
 C      1.3939277875     -1.4861750065      3.1408335374
18
# ORCA AIMD Position Step 1263, t=1263.00 fs, E_Pot=-685.23697924 Hartree, Unit is Angstrom
 C      0.7017465071     -0.4953661885      3.7549806330
 C     -0.0573310072      0.4264999719      3.8749969026
 C     -0.9334021502      1.3932797705      3.4423016754
 C     -1.5475142441      2.0221630632      2.5979447964
 C     -2.1943205710      2.2875425391      1.4218587288
 C     -2.4444575952      2.3532529438      0.2471118988
 C     -2.4500496889      2.1011042306     -1.1402708580
 C     -2.2870140202      1.7120930472     -2.2853795411
 C     -1.7032823600      0.9603020553     -3.2409751909
 C     -0.8775507462      0.2404307150     -3.7713910716
 C      0.1835586931     -0.6045444617     -3.9650450219
 C      1.1068835414     -1.3367868536     -3.6341828602
 C      1.7659809116     -2.0918317497     -2.7445698131
 C      2.1079854295     -2.4549248570     -1.6591374615
 C      2.3116052279     -2.5656108066     -0.2830978103
 C      2.1334230403     -2.6091528483      0.9344795607
 C      1.7988976424     -2.1110255331      2.1719478098
 C      1.3899096645     -1.4928604928      3.1347690633
18
# ORCA AIMD Position Step 1264, t=1264.00 fs, E_Pot=-685.23760559 Hartree, Unit is Angstrom
 C      0.7001132627     -0.5019024656      3.7557099800
 C     -0.0574731952      0.4239475653      3.8775060556
 C     -0.9309557611      1.3874497348      3.4359869415
 C     -1.5479310868      2.0219807467      2.5988685985
 C     -2.1880787282      2.2856254148      1.4221812726
 C     -2.4497588591      2.3568726916      0.2510475443
 C     -2.4473063971      2.1005911894     -1.1327012106
 C     -2.2757911800      1.7160333880     -2.2826880322
 C     -1.6998688149      0.9708182992     -3.2485215979
 C     -0.8757806493      0.2472979168     -3.7693194122
 C      0.1782107648     -0.6042953862     -3.9598906068
 C      1.1097411110     -1.3425932916     -3.6355275154
 C      1.7669758155     -2.0913631938     -2.7498690271
 C      2.1108028766     -2.4539557201     -1.6558868162
 C      2.3061233843     -2.5602875746     -0.2917241548
 C      2.1244418225     -2.6062549463      0.9348622221
 C      1.7943100309     -2.1170824913      2.1743125473
 C      1.3858597199     -1.4994168805      3.1285367505
18
# ORCA AIMD Position Step 1265, t=1265.00 fs, E_Pot=-685.23820517 Hartree, Unit is Angstrom
 C      0.6990487165     -0.5093624435      3.7562843332
 C     -0.0585067896      0.4225608298      3.8799301226
 C     -0.9281798337      1.3814367531      3.4295064962
 C     -1.5487231332      2.0214298254      2.5999221773
 C     -2.1812368993      2.2839161352      1.4235889937
 C     -2.4552426668      2.3601145626      0.2522692074
 C     -2.4447700084      2.1003203794     -1.1242245770
 C     -2.2647580451      1.7202061304     -2.2787529144
 C     -1.6961749785      0.9813031531     -3.2562572562
 C     -0.8734776134      0.2538125246     -3.7676448558
 C      0.1732490973     -0.6043600034     -3.9543107015
 C      1.1108710549     -1.3473823247     -3.6377450462
 C      1.7682681332     -2.0908539010     -2.7553711547
 C      2.1143694108     -2.4534082035     -1.6506099187
 C      2.2999326253     -2.5554507325     -0.2996568701
 C      2.1157748515     -2.6026228374      0.9340107741
 C      1.7902126666     -2.1238462843      2.1757770930
 C      1.3815285866     -1.5054575852      3.1227080726
18
# ORCA AIMD Position Step 1266, t=1266.00 fs, E_Pot=-685.23886033 Hartree, Unit is Angstrom
 C      0.6983500843     -0.5175020066      3.7567040091
 C     -0.0601734547      0.4220144475      3.8822194515
 C     -0.9250672471      1.3752488493      3.4229513613
 C     -1.5498595781      2.0205217602      2.6011064688
 C     -2.1739368610      2.2824571402      1.4257985789
 C     -2.4608092396      2.3629690681      0.2511447321
 C     -2.4423952267      2.1001912890     -1.1152761006
 C     -2.2539663370      1.7246533331     -2.2734277640
 C     -1.6924146771      0.9919626682     -3.2639191316
 C     -0.8704601537      0.2597916562     -3.7664908965
 C      0.1689216047     -0.6049081192     -3.9482828378
 C      1.1099770164     -1.3508873750     -3.6409525917
 C      1.7701332492     -2.0906141254     -2.7603226333
 C      2.1183912494     -2.4530115809     -1.6443940242
 C      2.2930413414     -2.5511410991     -0.3060763136
 C      2.1075160425     -2.5983036707      0.9314985084
 C      1.7867455572     -2.1315146239      2.1759457082
 C      1.3767287334     -1.5106901028      3.1177372203
18
# ORCA AIMD Position Step 1267, t=1267.00 fs, E_Pot=-685.23966687 Hartree, Unit is Angstrom
 C      0.6977214497     -0.5259520628      3.7570015664
 C     -0.0621293181      0.4218763416      3.8843237223
 C     -0.9216235314      1.3689051279      3.4164107687
 C     -1.5513095370      2.0192767575      2.6024223785
 C     -2.1663883981      2.2813041373      1.4282828882
 C     -2.4663000944      2.3654313301      0.2483580132
 C     -2.4401412289      2.1001131408     -1.1062897652
 C     -2.2434350684      1.7293600517     -2.2666927282
 C     -1.6887575298      1.0029726049     -3.2712446371
 C     -0.8666282664      0.2651209414     -3.7659332851
 C      0.1653064692     -0.6059746803     -3.9418495751
 C      1.1070139423     -1.3530612594     -3.6451121506
 C      1.7727761550     -2.0908752692     -2.7640709268
 C      2.1225768955     -2.4524983975     -1.6383451947
 C      2.2854951492     -2.5473945115     -0.3103797037
 C      2.0997229034     -2.5933490850      0.9271442186
 C      1.7839673521     -2.1401645951      2.1746096263
 C      1.3713785824     -1.5149812376      3.1138689982
18
# ORCA AIMD Position Step 1268, t=1268.00 fs, E_Pot=-685.24057982 Hartree, Unit is Angstrom
 C      0.6968277671     -0.5342829020      3.7572345372
 C     -0.0640075693      0.4216844581      3.8861991545
 C     -0.9178674342      1.3624348756      3.4099643832
 C     -1.5530381667      2.0177181791      2.6038748712
 C     -2.1588411313      2.2805179443      1.4303954130
 C     -2.4715236441      2.3675046291      0.2447748905
 C     -2.4379769416      2.1000135879     -1.0976597894
 C     -2.2331553238      1.7342627280     -2.2586582864
 C     -1.6852842966      1.0144291543     -3.2780133004
 C     -0.8620043183      0.2697935619     -3.7659793803
 C      0.1623298857     -0.6074717332     -3.9351076539
 C      1.1021872992     -1.3540780835     -3.6500311649
 C      1.7762863063     -2.0917443346     -2.7661804948
 C      2.1266787133     -2.4516440066     -1.6334239696
 C      2.2773731723     -2.5442385602     -0.3122549624
 C      2.0924164306     -2.5878176854      0.9210175833
 C      1.7818312657     -2.1497175031      2.1718057649
 C      1.3655266842     -1.5183927664      3.1110892664
18
# ORCA AIMD Position Step 1269, t=1269.00 fs, E_Pot=-685.24135192 Hartree, Unit is Angstrom
 C      0.6953547594     -0.5420794124      3.7574728462
 C     -0.0654723803      0.4210111123      3.8878148785
 C     -0.9138364455      1.3558842503      3.4036744067
 C     -1.5550112508      2.0158677963      2.6054624023
 C     -2.1515408012      2.2801540536      1.4315130691
 C     -2.4762881447      2.3692032194      0.2413007261
 C     -2.4358833652      2.0998461183     -1.0897159084
 C     -2.2230930364      1.7392545979     -2.2495581998
 C     -1.6819690906      1.0263306224     -3.2840625287
 C     -0.8567510890      0.2739280655     -3.7665614237
 C      0.1597988037     -0.6092175062     -3.9281969627
 C      1.0959199253     -1.3543013474     -3.6553899092
 C      1.7806235683     -2.0931918018     -2.7664897460
 C      2.1305220763     -2.4502934324     -1.6303182587
 C      2.2687819411     -2.5416882026     -0.3117344528
 C      2.0855789129     -2.5817745912      0.9134306170
 C      1.7801876084     -2.1599424702      2.1678113711
 C      1.3593406586     -1.5211670348      3.1091404668
18
# ORCA AIMD Position Step 1270, t=1270.00 fs, E_Pot=-685.24163122 Hartree, Unit is Angstrom
 C      0.6930529181     -0.5490007267      3.7577888596
 C     -0.0662707206      0.4195276311      3.8891534516
 C     -0.9095828478      1.3493116082      3.3975787973
 C     -1.5571914030      2.0137381859      2.6071778440
 C     -2.1446955785      2.2802527646      1.4311461035
 C     -2.4804294072      2.3705511095      0.2387437329
 C     -2.4338564352      2.0995976404     -1.0826870147
 C     -2.2131944237      1.7442008478     -2.2397249624
 C     -1.6786789149      1.0385740740     -3.2893003453
 C     -0.8511642951      0.2777643746     -3.7675437290
 C      0.1574432806     -0.6109717414     -3.9212848573
 C      1.0887944425     -1.3542317195     -3.6607854194
 C      1.7856274171     -2.0950647475     -2.7651109303
 C      2.1340153974     -2.4483716521     -1.6293707866
 C      2.2598495684     -2.5397421761     -0.3092315395
 C      2.0791550751     -2.5752908405      0.9049234903
 C      1.7788082443     -2.1704934373      2.1630914735
 C      1.3530775512     -1.5236840807      3.1075804441
18
# ORCA AIMD Position Step 1271, t=1271.00 fs, E_Pot=-685.24117265 Hartree, Unit is Angstrom
 C      0.6897731031     -0.5548341760      3.7582349538
 C     -0.0662369560      0.4170156075      3.8902191317
 C     -0.9051920340      1.3428029756      3.3916778553
 C     -1.5595337147      2.0113288335      2.6090107079
 C     -2.1384516611      2.2808325646      1.4290112265
 C     -2.4838315754      2.3715857084      0.2377270209
 C     -2.4319055850      2.0992777568     -1.0767063026
 C     -2.2033937338      1.7489623661     -2.2295491689
 C     -1.6751987871      1.0509731107     -3.2937031449
 C     -0.8456328352      0.2816390823     -3.7687436739
 C      0.1549729530     -0.6124846185     -3.9145388273
 C      1.0814513947     -1.3544120829     -3.6658060680
 C      1.7910541063     -2.0971319772     -2.7623838277
 C      2.1371513779     -2.4458867669     -1.6305639876
 C      2.2507199706     -2.5383825475     -0.3055068399
 C      2.0730616492     -2.5684486745      0.8962055132
 C      1.7774161515     -2.1809572525      2.1582314799
 C      1.3470286375     -1.5263789623      3.1058846123
18
# ORCA AIMD Position Step 1272, t=1272.00 fs, E_Pot=-685.24004029 Hartree, Unit is Angstrom
 C      0.6854934086     -0.5595338006      3.7588331845
 C     -0.0653240153      0.4134032708      3.8910295075
 C     -0.9007689276      1.3364610357      3.3859389201
 C     -1.5619863619      2.0086206484      2.6109411450
 C     -2.1328729597      2.2818865248      1.4250807425
 C     -2.4864400271      2.3723481996      0.2386057957
 C     -2.4300534627      2.0989269568     -1.0717883807
 C     -2.1936165189      1.7534007726     -2.2194498843
 C     -1.6712837065      1.0633108061     -3.2972870729
 C     -0.8405747884      0.2859249911     -3.7699648642
 C      0.1521371861     -0.6135428509     -3.9081089359
 C      1.0744978165     -1.3553538839     -3.6700756690
 C      1.7966006759     -2.0991067769     -2.7588461488
 C      2.1400004091     -2.4429252628     -1.6335437708
 C      2.2415433854     -2.5375788606     -0.3015671785
 C      2.0671937876     -2.5613307386      0.8880864274
 C      1.7757364544     -2.1909296519      2.1538196276
 C      1.3414594177     -1.5296558809      3.1035568947
18
# ORCA AIMD Position Step 1273, t=1273.00 fs, E_Pot=-685.23863823 Hartree, Unit is Angstrom
 C      0.6803219755     -0.5632273533      3.7595642700
 C     -0.0635950869      0.4087546291      3.8916100328
 C     -0.8964272547      1.3303949266      3.3803132647
 C     -1.5644973495      2.0055840264      2.6129287917
 C     -2.1279386175      2.2833850399      1.4195858565
 C     -2.4882635134      2.3728761456      0.2414365145
 C     -2.4283356480      2.0986142542     -1.0678299181
 C     -2.1837872683      1.7573894991     -2.2098443210
 C     -1.6666991398      1.0753788148     -3.3000894110
 C     -0.8363792236      0.2909775612     -3.7710249120
 C      0.1487800838     -0.6140130911     -3.9021098363
 C      1.0684138511     -1.3574580142     -3.6732959432
 C      1.8019418500     -2.1006844679     -2.7551652489
 C      2.1426887058     -2.4396350068     -1.6377081948
 C      2.2324682971     -2.5372952276     -0.2985090294
 C      2.0614421971     -2.5540195911      0.8813672284
 C      1.7735337873     -2.2000665527      2.1503700091
 C      1.3365604791     -1.5338155598      3.1002216878
18
# ORCA AIMD Position Step 1274, t=1274.00 fs, E_Pot=-685.23747763 Hartree, Unit is Angstrom
 C      0.6745027077     -0.5662304257      3.7603585432
 C     -0.0612244057      0.4032769329      3.8919939864
 C     -0.8922814352      1.3247097515      3.3747433354
 C     -1.5670185695      2.0021882851      2.6149095408
 C     -2.1235407216      2.2852715703      1.4130206788
 C     -2.4893763557      2.3732067836      0.2459628302
 C     -2.4267953730      2.0984257274     -1.0646425130
 C     -2.1738353877      1.7608240752     -2.2011134638
 C     -1.6612724232      1.0870185692     -3.3021360432
 C     -0.8333447314      0.2970776398     -3.7717861787
 C      0.1448826932     -0.6138778788     -3.8966098794
 C      1.0634857640     -1.3609539915     -3.6752686446
 C      1.8067565951     -2.1015724065     -2.7520686907
 C      2.1453771505     -2.4362035190     -1.6423247309
 C      2.2236222055     -2.5374968540     -0.2972939155
 C      2.0557181288     -2.5465929900      0.8766913832
 C      1.7706399657     -2.2081239518      2.1482522988
 C      1.3324155740     -1.5390031711      3.0956900224
18
# ORCA AIMD Position Step 1275, t=1275.00 fs, E_Pot=-685.23689076 Hartree, Unit is Angstrom
 C      0.6683980432     -0.5690201102      3.7610967525
 C     -0.0584838689      0.3973044214      3.8922143669
 C     -0.8884272961      1.3194885883      3.3691881438
 C     -1.5695113847      1.9984130351      2.6167898451
 C     -2.1194954968      2.2874686058      1.4061122974
 C     -2.4899162127      2.3733730578      0.2516367912
 C     -2.4254779582      2.0984512789     -1.0619904212
 C     -2.1637091764      1.7636313246     -2.1935735756
 C     -1.6549215037      1.0981481798     -3.3034245671
 C     -0.8316293732      0.3043819202     -3.7721733948
 C      0.1405716051     -0.6132388086     -3.8916241470
 C      1.0597705965     -1.3658706766     -3.6759072229
 C      1.8107625997     -2.1015236036     -2.7502488638
 C      2.1482280365     -2.4328278650     -1.6466699017
 C      2.2150962656     -2.5381533967     -0.2985378340
 C      2.0499782886     -2.5391287141      0.8743904668
 C      1.7669744030     -2.2149815840      2.1476516453
 C      1.3289838595     -1.5451783293      3.0900003885
18
# ORCA AIMD Position Step 1276, t=1276.00 fs, E_Pot=-685.23681456 Hartree, Unit is Angstrom
 C      0.6624471591     -0.5721769578      3.7616244279
 C     -0.0557112413      0.3912606172      3.8922980747
 C     -0.8849278542      1.3147792111      3.3636408934
 C     -1.5719521731      1.9942591520      2.6184487028
 C     -2.1155656605      2.2898847380      1.3997503875
 C     -2.4900717411      2.3734049177      0.2576917373
 C     -2.4244200391      2.0987701643     -1.0596469789
 C     -2.1533889652      1.7657783658     -2.1874421876
 C     -1.6476722842      1.1087760911     -3.3039120673
 C     -0.8312233718      0.3128850119     -3.7721868909
 C      0.1360939087     -0.6122939214     -3.8871249840
 C      1.0571045336     -1.3720382422     -3.6752313315
 C      1.8137557699     -2.1003738066     -2.7502433172
 C      2.1513692294     -2.4296767404     -1.6501817719
 C      2.2069320986     -2.5392377180     -0.3023556423
 C      2.0442420969     -2.5317100178      0.8743738242
 C      1.7625559309     -2.2206566710      2.1485437251
 C      1.3261014322     -1.5521139925      3.0834292287
18
# ORCA AIMD Position Step 1277, t=1277.00 fs, E_Pot=-685.23687794 Hartree, Unit is Angstrom
 C      0.6570974689     -0.5762940883      3.7617763424
 C     -0.0532575580      0.3855907772      3.8922612265
 C     -0.8818045741      1.3105853338      3.3581359503
 C     -1.5743326882      1.9897547202      2.6197500072
 C     -2.1114976712      2.2924243179      1.3948627100
 C     -2.4900575225      2.3733309611      0.2632724240
 C     -2.4236392276      2.0994342577     -1.0574541005
 C     -2.1428955571      1.7672835504     -2.1828049617
 C     -1.6396589150      1.1190037367     -3.3035158191
 C     -0.8319374431      0.3224041336     -3.7719062008
 C      0.1317621441     -0.6112929572     -3.8830531510
 C      1.0551454451     -1.3791214678     -3.6733552313
 C      1.8156474473     -2.0980763895     -2.7523202458
 C      2.1548609865     -2.4268535653     -1.6525903628
 C      2.1991209588     -2.5407219130     -0.3083330090
 C      2.0385891239     -2.5244291696      0.8761279951
 C      1.7575047051     -2.2253083722      2.1506873830
 C      1.3234981984     -1.5594207627      3.0764723680
18
# ORCA AIMD Position Step 1278, t=1278.00 fs, E_Pot=-685.23672405 Hartree, Unit is Angstrom
 C      0.6527201114     -0.5818648884      3.7614060389
 C     -0.0514188101      0.3806712843      3.8921048499
 C     -0.8790361238      1.3068656384      3.3527469221
 C     -1.5766579883      1.9849528318      2.6205614727
 C     -2.1070741730      2.2950039891      1.3922464489
 C     -2.4900714617      2.3731764146      0.2676105741
 C     -2.4231242138      2.1004570646     -1.0553621897
 C     -2.1322938040      1.7682213671     -2.1795981495
 C     -1.6311039800      1.1290148288     -3.3021258059
 C     -0.8334183548      0.3325927078     -3.7714822995
 C      0.1278839035     -0.6104795175     -3.8793317548
 C      1.0534388411     -1.3866781991     -3.6704695743
 C      1.8164862632     -2.0947185265     -2.7564153498
 C      2.1586796724     -2.4243751606     -1.6539794326
 C      2.1916154692     -2.5425738510     -0.3156427672
 C      2.0331372007     -2.5173855931      0.8788380700
 C      1.7520282541     -2.2292242486      2.1536470672
 C      1.3208316141     -1.5665991704      3.0697894959
18
# ORCA AIMD Position Step 1279, t=1279.00 fs, E_Pot=-685.23626977 Hartree, Unit is Angstrom
 C      0.6495316445     -0.5891776228      3.7604150694
 C     -0.0503704955      0.3767199271      3.8918089453
 C     -0.8765656803      1.3035422217      3.3475778570
 C     -1.5789396002      1.9799226252      2.6207774722
 C     -2.1021718200      2.2975672544      1.3923931377
 C     -2.4902441628      2.3729597458      0.2702039350
 C     -2.4228320582      2.1018126738     -1.0534423661
 C     -2.1216900916      1.7687205991     -2.1776138885
 C     -1.6222786232      1.1390449244     -3.2996255887
 C     -0.8351932587      0.3429814131     -3.7711175272
 C      0.1246988211     -0.6100385874     -3.8758824452
 C      1.0514915441     -1.3942266094     -3.6668178579
 C      1.8164527693     -2.0905108610     -2.7621471682
 C      2.1627244709     -2.4221741474     -1.6547531658
 C      2.1843494435     -2.5447554040     -0.3232550051
 C      2.0280117751     -2.5106797370      0.8815806268
 C      1.7463912640     -2.2327794268      2.1568535110
 C      1.3177359673     -1.5731165822      3.0641113109
18
# ORCA AIMD Position Step 1280, t=1280.00 fs, E_Pot=-685.23570382 Hartree, Unit is Angstrom
 C      0.6475443569     -0.5982442314      3.7587748289
 C     -0.0501285882      0.3737416912      3.8913320773
 C     -0.8743110459      1.3005113424      3.3427503749
 C     -1.5811873738      1.9747392204      2.6203393885
 C     -2.0968055204      2.3000948648      1.3953658360
 C     -2.4905998650      2.3726885263      0.2709378703
 C     -2.4226927952      2.1034433683     -1.0518629280
 C     -2.1112250360      1.7689545233     -2.1765326345
 C     -1.6134506216      1.1493322270     -3.2959236401
 C     -0.8367375595      0.3530432427     -3.7710328059
 C      0.1223372172     -0.6100619340     -3.8726393446
 C      1.0488381952     -1.4013053541     -3.6626723092
 C      1.8158274240     -2.0857537642     -2.7689061492
 C      2.1668432653     -2.4201250353     -1.6555159025
 C      2.1772589204     -2.5472232258     -0.3301641172
 C      2.0233186592     -2.5044050455      0.8835139977
 C      1.7408693649     -2.2363685966      2.1597004415
 C      1.3138857748     -1.5785022878      3.0601178466
18
# ORCA AIMD Position Step 1281, t=1281.00 fs, E_Pot=-685.23528766 Hartree, Unit is Angstrom
 C      0.6465609613     -0.6087850349      3.7565386709
 C     -0.0505527688      0.3715283235      3.8906145145
 C     -0.8721788059      1.2976573373      3.3383910138
 C     -1.5833981137      1.9694714590      2.6192508804
 C     -2.0911397892      2.3026067979      1.4007782964
 C     -2.4910461181      2.3723584411      0.2700988986
 C     -2.4226209379      2.1052759917     -1.0508382872
 C     -2.1010634188      1.7691246634     -2.1759712740
 C     -1.6048228719      1.1600529797     -3.2909925833
 C     -0.8375582146      0.3622743168     -3.7714278046
 C      0.1208027728     -0.6105325915     -3.8695601339
 C      1.0450945702     -1.4075231694     -3.6583085604
 C      1.8149423197     -2.0807888523     -2.7759804725
 C      2.1708661382     -2.4180823620     -1.6569070655
 C      2.1702997059     -2.5499299064     -0.3355788020
 C      2.0191267154     -2.4986406110      0.8840151844
 C      1.7356944825     -2.2403207999      2.1616629992
 C      1.3090651426     -1.5824487090      3.0583045751
18
# ORCA AIMD Position Step 1282, t=1282.00 fs, E_Pot=-685.23511155 Hartree, Unit is Angstrom
 C      0.6462105369     -0.6202708656      3.7538429419
 C     -0.0513883282      0.3697125975      3.8895860101
 C     -0.8700768180      1.2948655237      3.3346194624
 C     -1.5855458315      1.9641708192      2.6175854606
 C     -2.0854628644      2.3051545593      1.4078823845
 C     -2.4913975711      2.3719570145      0.2682774504
 C     -2.4225313161      2.1072411828     -1.0505621119
 C     -2.0913807787      1.7694413679     -2.1755367871
 C     -1.5964776695      1.1712580775     -3.2849091715
 C     -0.8372748957      0.3702780807     -3.7724387481
 C      0.1199757701     -0.6113288891     -3.8666313009
 C      1.0399980535     -1.4125950848     -3.6539802235
 C      1.8141287425     -2.0759489630     -2.7826818433
 C      2.1746359457     -2.4159184342     -1.6594423402
 C      2.1634585923     -2.5528247743     -0.3390520145
 C      2.0154593100     -2.4934450885      0.8827550927
 C      1.7310047284     -2.2448196379      2.1624094431
 C      1.3032281882     -1.5848986581      3.0588648799
18
# ORCA AIMD Position Step 1283, t=1283.00 fs, E_Pot=-685.23496160 Hartree, Unit is Angstrom
 C      0.6460122170     -0.6320073228      3.7508989907
 C     -0.0523318632      0.3678561272      3.8881757847
 C     -0.8679253076      1.2920323896      3.3315368214
 C     -1.5875773050      1.9588640548      2.6154852390
 C     -2.0801315075      2.3078084867      1.4157249418
 C     -2.4914227403      2.3714684651      0.2662030023
 C     -2.4223539452      2.1092924071     -1.0511431533
 C     -2.0823474503      1.7701062630     -2.1748741196
 C     -1.5883427755      1.1828311148     -3.2778801657
 C     -0.8356793128      0.3768293691     -3.7741061575
 C      0.1196335800     -0.6122410381     -3.8638713485
 C      1.0334352820     -1.4163687417     -3.6498896557
 C      1.8136665430     -2.0715135587     -2.7884508139
 C      2.1780294557     -2.4135513216     -1.6634021270
 C      2.1567580354     -2.5558557908     -0.3405423818
 C      2.0122941682     -2.4888515886      0.8797176945
 C      1.7268146887     -2.2498573565      2.1618676400
 C      1.2965299502     -1.5860903919      3.0616289128
18
# ORCA AIMD Position Step 1284, t=1284.00 fs, E_Pot=-685.23445344 Hartree, Unit is Angstrom
 C      0.6454455294     -0.6432360393      3.7479753865
 C     -0.0530967584      0.3655395694      3.8863229683
 C     -0.8656646042      1.2890731678      3.3292156601
 C     -1.5894116005      1.9535483879      2.6131483820
 C     -2.0755102112      2.3106446353      1.4233177587
 C     -2.4908927948      2.3708761692      0.2645727725
 C     -2.4220477097      2.1114201239     -1.0525525035
 C     -2.0741119987      1.7712976777     -2.1737023691
 C     -1.5801867786      1.1944852947     -3.2702437945
 C     -0.8327543916      0.3819035053     -3.7763629502
 C      0.1194763202     -0.6129935653     -3.8613270987
 C      1.0254516771     -1.4188366501     -3.6461663397
 C      1.8137450270     -2.0676741122     -2.7929307814
 C      2.1809704170     -2.4109607309     -1.6687800985
 C      2.1502543167     -2.5589714394     -0.3404030467
 C      2.0095680372     -2.4848668005      0.8751736839
 C      1.7230205971     -2.2552453828      2.1602161756
 C      1.2893112791     -1.5865368220      3.0660887694
18
# ORCA AIMD Position Step 1285, t=1285.00 fs, E_Pot=-685.23334497 Hartree, Unit is Angstrom
 C      0.6440239480     -0.6532462470      3.7453704205
 C     -0.0534696940      0.3624417387      3.8839846147
 C     -0.8632687739      1.2859344050      3.3276867726
 C     -1.5909384241      1.9481846258      2.6108132103
 C     -2.0719179686      2.3137345403      1.4297855103
 C     -2.4896192092      2.3701655005      0.2639287463
 C     -2.4216057615      2.1136555180     -1.0546160189
 C     -2.0667863967      1.7731587714     -2.1718340290
 C     -1.5716542016      1.2058056525     -3.2624374004
 C     -0.8286617538      0.3856732096     -3.7790467404
 C      0.1191685915     -0.6132841270     -3.8590682902
 C      1.0162466793     -1.4201355696     -3.6428508723
 C      1.8144363846     -2.0645132660     -2.7960016354
 C      2.1834331669     -2.4081883144     -1.6753067970
 C      2.1440306053     -2.5621260704     -0.3393011801
 C      2.0071867800     -2.4814729504      0.8696150788
 C      1.7194294793     -2.2606645786      2.1578251919
 C      1.2820437863     -1.5869481857      3.0714921551
18
# ORCA AIMD Position Step 1286, t=1286.00 fs, E_Pot=-685.23184833 Hartree, Unit is Angstrom
 C      0.6413519035     -0.6614580053      3.7433770077
 C     -0.0533300855      0.3583671243      3.8811400127
 C     -0.8607508390      1.2826021765      3.3269390485
 C     -1.5920349259      1.9427084822      2.6087121557
 C     -2.0695902291      2.3171329588      1.4344791593
 C     -2.4874739733      2.3693238001      0.2645908836
 C     -2.4210605014      2.1160741486     -1.0570179694
 C     -2.0604260543      1.7757790567     -2.1692110267
 C     -1.5623303999      1.2163230743     -3.2549310366
 C     -0.8236895562      0.3884596975     -3.7819285923
 C      0.1183800335     -0.6128176048     -3.8571790612
 C      1.0061372268     -1.4205173278     -3.6398967398
 C      1.8156914147     -2.0620022142     -2.7977854139
 C      2.1854419166     -2.4053314055     -1.6825020638
 C      2.1381864523     -2.5652837403     -0.3380919826
 C      2.0050362069     -2.4786335744      0.8636718198
 C      1.7158162668     -2.2657523209      2.1551372353
 C      1.2752379970     -1.5881011231      3.0770012866
18
# ORCA AIMD Position Step 1287, t=1287.00 fs, E_Pot=-685.23062954 Hartree, Unit is Angstrom
 C      0.6371788500     -0.6675061150      3.7422364242
 C     -0.0526593714      0.3532663028      3.8777987920
 C     -0.8581728849      1.2791126654      3.3269118976
 C     -1.5925708712      1.9370381683      2.6070558187
 C     -2.0686611818      2.3208693789      1.4370222831
 C     -2.4843992221      2.3683431745      0.2666420543
 C     -2.4204729528      2.1187800773     -1.0593506959
 C     -2.0550340540      1.7791981089     -2.1658857073
 C     -1.5518129885      1.2255871361     -3.2481653492
 C     -0.8181959200      0.3906728381     -3.7847555160
 C      0.1168356360     -0.6113523111     -3.8557496225
 C      0.9955052567     -1.4202976348     -3.6371965212
 C      1.8173580342     -2.0600226785     -2.7985974576
 C      2.1870630328     -2.4025266733     -1.6897696218
 C      2.1328228404     -2.5684180190     -0.3376462832
 C      2.0030036256     -2.4763071002      0.8579828573
 C      1.7119625461     -2.2701658801      2.1525873735
 C      1.2693607507     -1.5907105339      3.0818352445
18
# ORCA AIMD Position Step 1288, t=1288.00 fs, E_Pot=-685.23042763 Hartree, Unit is Angstrom
 C      0.6314532665     -0.6713089445      3.7420933424
 C     -0.0515408085      0.3472416048      3.8740028111
 C     -0.8556450243      1.2755535385      3.3275050292
 C     -1.5924270803      1.9310974041      2.6059957476
 C     -2.0691528406      2.3249357666      1.4373486706
 C     -2.4804116922      2.3672255448      0.2699409716
 C     -2.4199235968      2.1218897898     -1.0611701972
 C     -2.0505599138      1.7833959878     -2.1620274457
 C     -1.5397906027      1.2332365137     -3.2424842398
 C     -0.8125536632      0.3927458167     -3.7872887012
 C      0.1143570387     -0.6087408847     -3.8548653568
 C      0.9847451273     -1.4197998497     -3.6346126679
 C      1.8192105564     -2.0583970996     -2.7988830145
 C      2.1883906247     -2.3999328751     -1.6964828247
 C      2.1280320730     -2.5715072885     -0.3386878589
 C      2.0009950555     -2.4744617458      0.8530801344
 C      1.7076982533     -2.2736345263      2.1505251668
 C      1.2647533225     -1.5953024642      3.0853996273
18
# ORCA AIMD Position Step 1289, t=1289.00 fs, E_Pot=-685.23150028 Hartree, Unit is Angstrom
 C      0.6243657077     -0.6731200918      3.7429600843
 C     -0.0501610071      0.3405578101      3.8698298267
 C     -0.8533122511      1.2720549454      3.3285923427
 C     -1.5915178129      1.9248434800      2.6055959118
 C     -2.0709681512      2.3292777336      1.4357175784
 C     -2.4756083140      2.3659851705      0.2741396288
 C     -2.4194981395      2.1255098509     -1.0620582407
 C     -2.0469057558      1.7882914275     -2.1579081066
 C     -1.5261162382      1.2390562246     -3.2380788324
 C     -0.8071035899      0.3950707877     -3.7893393828
 C      0.1109011982     -0.6049686307     -3.8545966872
 C      0.9742130715     -1.4192976225     -3.6320126280
 C      1.8209892929     -2.0569272958     -2.7991334774
 C      2.1895274284     -2.3977092833     -1.7020705717
 C      2.1238891479     -2.5745260406     -0.3416512244
 C      1.9989496706     -2.4730877033      0.8492845990
 C      1.7029324329     -2.2759938433      2.1491595462
 C      1.2615736218     -1.6021171956      3.0873764403
18
# ORCA AIMD Position Step 1290, t=1290.00 fs, E_Pot=-685.23331365 Hartree, Unit is Angstrom
 C      0.6163573550     -0.6735414899      3.7447072852
 C     -0.0488048992      0.3336409511      3.8653899078
 C     -0.8513283004      1.2687655537      3.3300435255
 C     -1.5898159616      1.9182911510      2.6058110375
 C     -2.0738920124      2.3337935616      1.4327067799
 C     -2.4701652964      2.3646504519      0.2787093383
 C     -2.4192696829      2.1297155041     -1.0616916219
 C     -2.0439352303      1.7937507427     -2.1538656929
 C     -1.5108560001      1.2430288364     -3.2349445002
 C     -0.8021089912      0.3979412375     -3.7908015400
 C      0.1065831244     -0.6001763161     -3.8549876508
 C      0.9641786964     -1.4189692852     -3.6292977237
 C      1.8224461331     -2.0554330010     -2.7997906553
 C      2.1905617844     -2.3959883469     -1.7061121489
 C      2.1204386614     -2.5774392045     -0.3465895174
 C      1.9968482789     -2.4722017951      0.8466411984
 C      1.6976722302     -2.2772133528      2.1485150719
 C      1.2597649393     -1.6110617046      3.0877737692
18
# ORCA AIMD Position Step 1291, t=1291.00 fs, E_Pot=-685.23480105 Hartree, Unit is Angstrom
 C      0.6080617312     -0.6734551523      3.7470928022
 C     -0.0478296246      0.3270368600      3.8608099330
 C     -0.8498217413      1.2658190649      3.3317510836
 C     -1.5873680725      1.9115202162      2.6064861959
 C     -2.0776157108      2.3383487663      1.4291478650
 C     -2.4643194617      2.3632619688      0.2830000025
 C     -2.4192790839      2.1345358190     -1.0599038732
 C     -2.0414877394      1.7996142906     -2.1502408341
 C     -1.4942892080      1.2453628036     -3.2328674487
 C     -0.7977156355      0.4015112414     -3.7916773354
 C      0.1016630216     -0.5946508802     -3.8560499492
 C      0.9547870920     -1.4188743552     -3.6264178247
 C      1.8233915884     -2.0537870147     -2.8011539472
 C      2.1915453833     -2.3948463404     -1.7084277050
 C      2.1176867052     -2.5802054521     -0.3531691064
 C      1.9947078513     -2.4718437716      0.8449201884
 C      1.6920249687     -2.2774103021      2.1484074017
 C      1.2590650259     -1.6217371089      3.0869216393
18
# ORCA AIMD Position Step 1292, t=1292.00 fs, E_Pot=-685.23504722 Hartree, Unit is Angstrom
 C      0.6001935298     -0.6738800373      3.7498177380
 C     -0.0476110131      0.3213265215      3.8562149244
 C     -0.8488687982      1.2633042807      3.3336539892
 C     -1.5843000774      1.9046734475      2.6073677327
 C     -2.0817787080      2.3427941276      1.4260148966
 C     -2.4583347597      2.3618696960      0.2863334175
 C     -2.4195186699      2.1399466332     -1.0567291177
 C     -2.0393995232      1.8057282718     -2.1473092312
 C     -1.4768803116      1.2464956405     -3.2314332838
 C     -0.7939176280      0.4057629336     -3.7920922517
 C      0.0965016022     -0.5887832769     -3.8577665231
 C      0.9460536152     -1.4189601246     -3.6233696649
 C      1.8237192203     -2.0519324406     -2.8033282028
 C      2.1924799251     -2.3942859741     -1.7091155230
 C      2.1156031050     -2.5827846557     -0.3607571310
 C      1.9925673334     -2.4720661867      0.8436921339
 C      1.6861881593     -2.2768457402      2.1484376206
 C      1.2590524301     -1.6335194875      3.0854190701
18
# ORCA AIMD Position Step 1293, t=1293.00 fs, E_Pot=-685.23393915 Hartree, Unit is Angstrom
 C      0.5934087256     -0.6757735460      3.7525956857
 C     -0.0484606087      0.3169998090      3.8517116059
 C     -0.8484892493      1.2612590350      3.3357451544
 C     -1.5807995758      1.8979394641      2.6081408021
 C     -2.0860332117      2.3469893411      1.4242558217
 C     -2.4524542569      2.3605274616      0.2881394138
 C     -2.4199310458      2.1458734492     -1.0524117613
 C     -2.0375236291      1.8119729011     -2.1452373019
 C     -1.4592173584      1.2470380541     -3.2300879678
 C     -0.7905717432      0.4105224617     -3.7922762076
 C      0.0914967143     -0.5830073160     -3.8601043646
 C      0.9379005009     -1.4190984648     -3.6201822548
 C      1.8234100411     -2.0498856129     -2.8062179564
 C      2.1933137326     -2.3942366673     -1.7085401092
 C      2.1141355517     -2.5851467170     -0.3685662233
 C      1.9904712922     -2.4729232446      0.8424520805
 C      1.6804191048     -2.2758801101      2.1480494730
 C      1.2592272363     -1.6456874568      3.0840180193
18
# ORCA AIMD Position Step 1294, t=1294.00 fs, E_Pot=-685.23219102 Hartree, Unit is Angstrom
 C      0.5881658604     -0.6798221522      3.7552024796
 C     -0.0505273578      0.3143053036      3.8473821081
 C     -0.8486528772      1.2596765527      3.3380651177
 C     -1.5771002241      1.8915376586      2.6084691439
 C     -2.0901042545      2.3508171693      1.4246089100
 C     -2.4468561735      2.3592903535      0.2881022209
 C     -2.4204073926      2.1521956801     -1.0473991220
 C     -2.0357543225      1.8182788455     -2.1440468719
 C     -1.4419489460      1.2477140752     -3.2282030821
 C     -0.7874207799      0.4154831530     -3.7925415358
 C      0.0870307013     -0.5777425007     -3.8630253309
 C      0.9301926515     -1.4191226699     -3.6169100497
 C      1.8225207023     -2.0477248256     -2.8095650602
 C      2.1939532671     -2.3945735447     -1.7072579656
 C      2.1132232107     -2.5872766384     -0.3757920847
 C      1.9884594735     -2.4744612126      0.8407195941
 C      1.6749927781     -2.2749119358      2.1466202101
 C      1.2590974099     -1.6575455482      3.0834976794
18
# ORCA AIMD Position Step 1295, t=1295.00 fs, E_Pot=-685.23086101 Hartree, Unit is Angstrom
 C      0.5846454664     -0.6863100393      3.7575075871
 C     -0.0537398719      0.3131588092      3.8432828540
 C     -0.8492996324      1.2585236149      3.3406850974
 C     -1.5734509346      1.8856937031      2.6080390755
 C     -2.0938349927      2.3541913933      1.4274595745
 C     -2.4416213274      2.3582126831      0.2862599345
 C     -2.4208088524      2.1587674862     -1.0422707898
 C     -2.0340282485      1.8246246516     -2.1436401835
 C     -1.4256999143      1.2492504182     -3.2251689343
 C     -0.7841639452      0.4202825191     -3.7932249362
 C      0.0834136734     -0.5733376065     -3.8664993584
 C      0.9228083537     -1.4188870988     -3.6136083667
 C      1.8211469525     -2.0455609302     -2.8130226086
 C      2.1942811472     -2.3951444015     -1.7059069465
 C      2.1128138444     -2.5891752938     -0.3817567207
 C      1.9865557828     -2.4767098731      0.8381401125
 C      1.6701477163     -2.2742910759      2.1435922489
 C      1.2582651996     -1.6685423088      3.0845048819
18
# ORCA AIMD Position Step 1296, t=1296.00 fs, E_Pot=-685.23065293 Hartree, Unit is Angstrom
 C      0.5827349754     -0.6950748440      3.7594732863
 C     -0.0577906578      0.3131183569      3.8394531282
 C     -0.8503677754      1.2577674691      3.3436790884
 C     -1.5700845508      1.8806139354      2.6065986318
 C     -2.0971973033      2.3570576180      1.4327806326
 C     -2.4367324607      2.3573511846      0.2830470502
 C     -2.4209857102      2.1654304418     -1.0376835165
 C     -2.0323148149      1.8310175074     -2.1438481772
 C     -1.4109958932      1.2522572793     -3.2204803773
 C     -0.7805457449      0.4246055360     -3.7946142792
 C      0.0808567232     -0.5700399204     -3.8705105793
 C      0.9156857440     -1.4183044211     -3.6103207999
 C      1.8193918685     -2.0435122272     -2.8162335978
 C      2.1941789786     -2.3958000437     -1.7050930201
 C      2.1128734030     -2.5908558378     -0.3859985346
 C      1.9847663621     -2.4796760311      0.8345377507
 C      1.6660326316     -2.2742340903      2.1386193004
 C      1.2564932991     -1.6783534922      3.0874120767
18
# ORCA AIMD Position Step 1297, t=1297.00 fs, E_Pot=-685.23154272 Hartree, Unit is Angstrom
 C      0.5820783970     -0.7055671435      3.7611403602
 C     -0.0621925001      0.3134700480      3.8359254935
 C     -0.8518092774      1.2573883662      3.3471000518
 C     -1.5671888944      1.8764627014      2.6039940554
 C     -2.1002743245      2.3593901768      1.4401525457
 C     -2.4320951097      2.3567617126      0.2792202646
 C     -2.4208022931      2.1720336409     -1.0342679638
 C     -2.0306071989      1.8374749352     -2.1444758501
 C     -1.3981828509      1.2571048857     -3.2138388145
 C     -0.7764422900      0.4282870024     -3.7968734099
 C      0.0794507553     -0.5679718468     -3.8750558198
 C      0.9088581529     -1.4173744437     -3.6070702732
 C      1.8173395164     -2.0416800080     -2.8188950066
 C      2.1935467693     -2.3964206634     -1.7052805453
 C      2.1133923764     -2.5923383253     -0.3883475952
 C      1.9830789792     -2.4833379907      0.8299423257
 C      1.6626696807     -2.2747711734      2.1316777478
 C      1.2537485341     -1.6869275003      3.0922163464
18
# ORCA AIMD Position Step 1298, t=1298.00 fs, E_Pot=-685.23289464 Hartree, Unit is Angstrom
 C      0.5821721791     -0.7169973208      3.7626060645
 C     -0.0663869145      0.3133869004      3.8327281492
 C     -0.8535971112      1.2573828297      3.3509625847
 C     -1.5648762892      1.8733334206      2.6002022127
 C     -2.1032234525      2.3611945626      1.4488723131
 C     -2.4275765880      2.3564921583      0.2756894319
 C     -2.4201592958      2.1784588148     -1.0325180126
 C     -2.0289100288      1.8440135344     -2.1453459292
 C     -1.3873595116      1.2638368216     -3.2052232063
 C     -0.7719148573      0.4313885606     -3.7999838110
 C      0.0791593100     -0.5671190389     -3.8801434487
 C      0.9024602176     -1.4161949700     -3.6038536010
 C      1.8150363943     -2.0401302234     -2.8208077562
 C      2.1923187440     -2.3969354061     -1.7067150506
 C      2.1143874170     -2.5936459885     -0.3889641100
 C      1.9814631894     -2.4876453596      0.8245885530
 C      1.6599469795     -2.2757440661      2.1230959044
 C      1.2501991116     -1.6944778821      3.0985252274
18
# ORCA AIMD Position Step 1299, t=1299.00 fs, E_Pot=-685.23393152 Hartree, Unit is Angstrom
 C      0.5824770227     -0.7285170937      3.7640009252
 C     -0.0698681324      0.3121061077      3.8298780729
 C     -0.8557258671      1.2577557748      3.3552389437
 C     -1.5631596744      1.8712260653      2.5953455557
 C     -2.1062365393      2.3625084614      1.4581103746
 C     -2.4230432464      2.3565753350      0.2733053642
 C     -2.4190090347      2.1846448189     -1.0326899169
 C     -2.0272300127      1.8506481173     -2.1463299773
 C     -1.3783607841      1.2721634302     -3.1948989146
 C     -0.7671999298      0.4342068420     -3.8037362380
 C      0.0798288519     -0.5673345291     -3.8857945243
 C      0.8967041362     -1.4149480998     -3.6006419734
 C      1.8124825787     -2.0388842505     -2.8219038620
 C      2.1904726211     -2.3973315073     -1.7093925793
 C      2.1158983283     -2.5948037967     -0.3883207967
 C      1.9798723236     -2.4925262857      0.8188811638
 C      1.6576467162     -2.2768586336      2.1134822367
 C      1.2461643446     -1.7014202134      3.1056456695
18
# ORCA AIMD Position Step 1300, t=1300.00 fs, E_Pot=-685.23418222 Hartree, Unit is Angstrom
 C      0.5825123664     -0.7393738195      3.7654623997
 C     -0.0722759508      0.3090620232      3.8273694882
 C     -0.8582015606      1.2585073268      3.3598651833
 C     -1.5619465633      1.8700420743      2.5896899445
 C     -2.1095074274      2.3634010541      1.4670526037
 C     -2.4183897173      2.3570228564      0.2726826745
 C     -2.4173591069      2.1906001343     -1.0347464468
 C     -2.0255713849      1.8573945477     -2.1473591816
 C     -1.3708070869      1.2815400127     -3.1833647779
 C     -0.7626446836      0.4372031943     -3.8077765762
 C      0.0812166825     -0.5683658474     -3.8920396193
 C      0.8918366370     -1.4138635116     -3.5973912259
 C      1.8096361982     -2.0379216703     -2.8222441576
 C      2.1880315409     -2.3976518782     -1.7130824177
 C      2.1179811256     -2.5958371101     -0.3871159831
 C      1.9782498090     -2.4979004284      0.8133257403
 C      1.6554958334     -2.2777652069      2.1035929010
 C      1.2420347058     -1.7082674540      3.1127394004
18
# ORCA AIMD Position Step 1301, t=1301.00 fs, E_Pot=-685.23373268 Hartree, Unit is Angstrom
 C      0.5819192710     -0.7490112936      3.7671115229
 C     -0.0734420826      0.3039551669      3.8251722340
 C     -0.8610311463      1.2596204091      3.3647499577
 C     -1.5610491964      1.8695951114      2.5836244648
 C     -2.1132102133      2.3639678659      1.4749967050
 C     -2.4135542864      2.3578266516      0.2741061991
 C     -2.4152664432      2.1963989651     -1.0383608535
 C     -2.0239381324      1.8642743107     -2.1484167488
 C     -1.3641948816      1.2912869140     -3.1712644676
 C     -0.7586159956      0.4408881166     -3.8116817176
 C      0.0830339165     -0.5698978963     -3.8989099711
 C      0.8880838017     -1.4131663062     -3.5940631353
 C      1.8064300400     -2.0371936682     -2.8219899487
 C      2.1850605618     -2.3979838809     -1.7173914567
 C      2.1206962493     -2.5967690006     -0.3861341679
 C      1.9765393188     -2.5036915464      0.8084344913
 C      1.6532194498     -2.2781330201      2.0941947969
 C      1.2381919875     -1.7155220736      3.1189791955
18
# ORCA AIMD Position Step 1302, t=1302.00 fs, E_Pot=-685.23311275 Hartree, Unit is Angstrom
 C      0.5804971170     -0.7571189865      3.7690317997
 C     -0.0733944364      0.2967652372      3.8232317997
 C     -0.8642189363      1.2610569461      3.3697790908
 C     -1.5602083245      1.8696357664      2.5776240253
 C     -2.1174834701      2.3643168591      1.4814123249
 C     -2.4085252387      2.3589658569      0.2775296272
 C     -2.4128247864      2.2021620786     -1.0429826515
 C     -2.0223368208      1.8713162979     -2.1495226637
 C     -1.3579919357      1.3007099658     -3.1592901859
 C     -0.7554231563      0.4457147529     -3.8150357385
 C      0.0850015177     -0.5716131934     -3.9064221061
 C      0.8855932362     -1.4130159508     -3.5906508706
 C      1.8027933607     -2.0366418644     -2.8213599835
 C      2.1816558352     -2.3984399638     -1.7218516004
 C      2.1240943046     -2.5976188834     -0.3860783896
 C      1.9746983145     -2.5098392894      0.8046150254
 C      1.6505823224     -2.2777040177      2.0859598364
 C      1.2349456500     -1.7235863699      3.1236791381
18
# ORCA AIMD Position Step 1303, t=1303.00 fs, E_Pot=-685.23290567 Hartree, Unit is Angstrom
 C      0.5782133400     -0.7636492769      3.7712502371
 C     -0.0723315039      0.2877254769      3.8214778579
 C     -0.8677456543      1.2627461555      3.3748359476
 C     -1.5591367336      1.8698883933      2.5721994130
 C     -2.1224200979      2.3645593065      1.4859679054
 C     -2.4033416661      2.3604120550      0.2826093092
 C     -2.4101468763      2.2080329597     -1.0479309116
 C     -2.0207829127      1.8785595298     -2.1507016610
 C     -1.3517117866      1.3091904428     -3.1481080036
 C     -0.7532607848      0.4519912503     -3.8174883225
 C      0.0868823486     -0.5732276812     -3.9145626167
 C      0.8843893733     -1.4134609662     -3.5872054033
 C      1.7986822622     -2.0362223978     -2.8205727477
 C      2.1779323979     -2.3991366022     -1.7260084433
 C      2.1281995193     -2.5983998693     -0.3874243177
 C      1.9727115947     -2.5163037156      0.8020805679
 C      1.6474145132     -2.2763191698      2.0793983728
 C      1.2324892983     -1.7326998530      3.1263729519
18
# ORCA AIMD Position Step 1304, t=1304.00 fs, E_Pot=-685.23334694 Hartree, Unit is Angstrom
 C      0.5752022124     -0.7688116066      3.7737307008
 C     -0.0705900681      0.2772887725      3.8198360820
 C     -0.8715639104      1.2645856988      3.3798098718
 C     -1.5575652674      1.8700917690      2.5678319551
 C     -2.1280478035      2.3647902196      1.4885677475
 C     -2.3980915725      2.3621371992      0.2887738796
 C     -2.4073468347      2.2141494045     -1.0525097345
 C     -2.0192999715      1.8860461311     -2.1519654515
 C     -1.3449763603      1.3162543546     -3.1382845055
 C     -0.7521794259      0.4598296503     -3.8187946586
 C      0.0885143261     -0.5745279236     -3.9232730751
 C      0.8843425675     -1.4144051246     -3.5838555322
 C      1.7941026451     -2.0359244945     -2.8198017702
 C      2.1740110763     -2.4001751320     -1.7294947239
 C      2.1329951837     -2.5991192732     -0.3903144239
 C      1.9705999628     -2.5230626211      0.8007942465
 C      1.6436300106     -2.2739343487      2.0748099127
 C      1.2308805748     -1.7429063969      3.1268596475
18
# ORCA AIMD Position Step 1305, t=1305.00 fs, E_Pot=-685.23413027 Hartree, Unit is Angstrom
 C      0.5717473840     -0.7730448777      3.7763764895
 C     -0.0686065467      0.2660758900      3.8182357956
 C     -0.8755883261      1.2664406030      3.3846156480
 C     -1.5552942261      1.8700406461      2.5648980078
 C     -2.1343115073      2.3650720141      1.4893818258
 C     -2.3929060489      2.3641175568      0.2952880430
 C     -2.4045219166      2.2206223750     -1.0561074345
 C     -2.0179159304      1.8938148127     -2.1532983016
 C     -1.3375636134      1.3216285041     -3.1302204043
 C     -0.7520698357      0.4691139375     -3.8188527155
 C      0.0898221324     -0.5753841550     -3.9324415070
 C      0.8851686949     -1.4156063678     -3.5808081869
 C      1.7891229003     -2.0357799061     -2.8191411083
 C      2.1700029231     -2.4016277020     -1.7320750936
 C      2.1384187571     -2.5997804057     -0.3945351493
 C      1.9684210083     -2.5301041548      0.8004688390
 C      1.6392428050     -2.2706321401      2.0722391841
 C      1.2300282737     -1.7540401456      3.1252345899
18
# ORCA AIMD Position Step 1306, t=1306.00 fs, E_Pot=-685.23458699 Hartree, Unit is Angstrom
 C      0.5682377031     -0.7769553137      3.7790478046
 C     -0.0668687801      0.2548053047      3.8166212781
 C     -0.8796934128      1.2681402789      3.3892139085
 C     -1.5522367094      1.8696273113      2.5636020598
 C     -2.1410696106      2.3654172339      1.4888438105
 C     -2.3879424354      2.3663428225      0.3013451587
 C     -2.4017381716      2.2275164026     -1.0582866197
 C     -2.0166476343      1.9018959921     -2.1546616921
 C     -1.3294385709      1.3252698439     -3.1240929913
 C     -0.7526684216      0.4795153504     -3.8177122090
 C      0.0908023099     -0.5757444966     -3.9419170679
 C      0.8864701733     -1.4167100658     -3.5783270670
 C      1.7838660347     -2.0358656059     -2.8185911608
 C      2.1659982840     -2.4035263940     -1.7336836105
 C      2.1443673319     -2.6003907944     -0.3995714948
 C      1.9662577687     -2.5374160631      0.8006519793
 C      1.6343728893     -2.2666234717      2.0714428377
 C      1.2297072184     -1.7657512979      3.1218804183
18
# ORCA AIMD Position Step 1307, t=1307.00 fs, E_Pot=-685.23412680 Hartree, Unit is Angstrom
 C      0.5650963074     -0.7812106385      3.7815933195
 C     -0.0658562412      0.2441968372      3.8149520754
 C     -0.8837133141      1.2694820015      3.3936264241
 C     -1.5484349360      1.8688535104      2.5639527613
 C     -2.1481127269      2.3657893051      1.4875870270
 C     -2.3833641896      2.3688148888      0.3061524044
 C     -2.3990175265      2.2348498305     -1.0588230779
 C     -2.0155004143      1.9103141112     -2.1559840746
 C     -1.3207551184      1.3273815329     -3.1198311788
 C     -0.7535745870      0.4905095754     -3.8155855393
 C      0.0915006608     -0.5756056693     -3.9515284865
 C      0.8877892823     -1.4173071443     -3.5767038698
 C      1.7784975255     -2.0362928542     -2.8180635071
 C      2.1620551209     -2.4058652233     -1.7344058069
 C      2.1507164190     -2.6009657655     -0.4047264686
 C      1.9642015962     -2.5449797238      0.8008267140
 C      1.6292440624     -2.2622393005      2.0718854575
 C      1.2295831730     -1.7775572161      3.1174356887
18
# ORCA AIMD Position Step 1308, t=1308.00 fs, E_Pot=-685.23267411 Hartree, Unit is Angstrom
 C      0.5626947677     -0.7864152550      3.7838741893
 C     -0.0659663292      0.2348555815      3.8132023989
 C     -0.8874470221      1.2702397286      3.3979433062
 C     -1.5440567384      1.8678274743      2.5657695173
 C     -2.1551964206      2.3661115240      1.4863363053
 C     -2.3793162560      2.3715449392      0.3090425915
 C     -2.3963362332      2.2426001293     -1.0577206237
 C     -2.0144607829      1.9190838310     -2.1571713102
 C     -1.3118431622      1.3284018235     -3.1171165983
 C     -0.7542818934      0.5014200153     -3.8128300309
 C      0.0919809084     -0.5749822653     -3.9611106831
 C      0.8886886112     -1.4170033310     -3.5762127947
 C      1.7731838182     -2.0371828606     -2.8174230724
 C      2.1582005758     -2.4086093973     -1.7344398241
 C      2.1573402939     -2.6015318846     -0.4092645121
 C      1.9623336164     -2.5527635903      0.8005299276
 C      1.6241619310     -2.2578999677      2.0727876067
 C      1.2292538862     -1.7889075490      3.1127217793
18
# ORCA AIMD Position Step 1309, t=1309.00 fs, E_Pot=-685.23087348 Hartree, Unit is Angstrom
 C      0.5612730749     -0.7929768888      3.7857873817
 C     -0.0674513088      0.2271611477      3.8113594197
 C     -0.8906834910      1.2701804780      3.4023065944
 C     -1.5393598826      1.8667372438      2.5687330239
 C     -2.1620814540      2.3662836235      1.4857559388
 C     -2.3759007631      2.3745570338      0.3095915134
 C     -2.3936321108      2.2507103397     -1.0551858923
 C     -2.0134951231      1.9282116711     -2.1581159279
 C     -1.3031601948      1.3289385647     -3.1154392766
 C     -0.7542323865      0.5114937208     -3.8099110200
 C      0.0922937554     -0.5738788108     -3.9705268755
 C      0.8888233553     -1.4154843021     -3.5770641814
 C      1.7680540321     -2.0386380202     -2.8165370214
 C      2.1544383801     -2.4117102855     -1.7340346400
 C      2.1641308716     -2.6021267771     -0.4125408625
 C      1.9607125561     -2.5607223137      0.7994346189
 C      1.6194727663     -2.2540641230      2.0732375854
 C      1.2283079948     -1.7992649585      3.1086235022
18
# ORCA AIMD Position Step 1310, t=1310.00 fs, E_Pot=-685.22974850 Hartree, Unit is Angstrom
 C      0.5608781567     -0.8010059186      3.7872798316
 C     -0.0703686910      0.2211935946      3.8094201549
 C     -0.8932268081      1.2690911835      3.4068797327
 C     -1.5346456115      1.8658098363      2.5724544977
 C     -2.1685685660      2.3662011128      1.4863071661
 C     -2.3731635560      2.3778804953      0.3077166088
 C     -2.3908195144      2.2591020469     -1.0515868846
 C     -2.0125554430      1.9376923000     -2.1587070911
 C     -1.2952167732      1.3296708067     -3.1141956634
 C     -0.7528866717      0.5199913957     -3.8073316506
 C      0.0924607606     -0.5722681818     -3.9796763589
 C      0.8879910477     -1.4125650806     -3.5793749914
 C      1.7631686264     -2.0407136879     -2.8153244602
 C      2.1507594456     -2.4151201768     -1.7334251652
 C      2.1710094433     -2.6027953002     -0.4141027854
 C      1.9593700643     -2.5687975054      0.7973944941
 C      1.6155031445     -2.2511561958      2.0723628952
 C      1.2263933086     -1.8081905310      3.1059291127
18
# ORCA AIMD Position Step 1311, t=1311.00 fs, E_Pot=-685.23005652 Hartree, Unit is Angstrom
 C      0.5613487016     -0.8102796963      3.7883518016
 C     -0.0745684939      0.2167249320      3.8074001799
 C     -0.8949261091      1.2668132370      3.4118032041
 C     -1.5302153430      1.8652660862      2.5765417254
 C     -2.1745147292      2.3657733302      1.4881573847
 C     -2.3710903144      2.3815414275      0.3037267185
 C     -2.3878109366      2.2676817586     -1.0474020968
 C     -2.0115851256      1.9475003567     -2.1588460267
 C     -1.2884856922      1.3312133140     -3.1128194770
 C     -0.7498146396      0.5263067997     -3.8055355348
 C      0.0924654797     -0.5700908179     -3.9884944702
 C      0.8861648301     -1.4082188540     -3.5831437207
 C      1.7585021796     -2.0433982236     -2.8137921740
 C      2.1471570615     -2.4187991727     -1.7327777827
 C      2.1779253794     -2.6035844922     -0.4137554712
 C      1.9583090865     -2.5769144688      0.7944567896
 C      1.6124902587     -2.2494882341      2.0695331364
 C      1.2232977712     -1.8154221746      3.1051453624
18
# ORCA AIMD Position Step 1312, t=1312.00 fs, E_Pot=-685.23168628 Hartree, Unit is Angstrom
 C      0.5623445843     -0.8202782022      3.7890538151
 C     -0.0797222249      0.2132779174      3.8053351942
 C     -0.8957103194      1.2632804206      3.4171437053
 C     -1.5263247437      1.8652769457      2.5806615242
 C     -2.1798308955      2.3649341031      1.4911687528
 C     -2.3696164430      2.3855542111      0.2983008745
 C     -2.3845378909      2.2763473036     -1.0431625329
 C     -2.0105223963      1.9575789686     -2.1584685664
 C     -1.2833044278      1.3339754226     -3.1109159256
 C     -0.7447941347      0.5300975700     -3.8047973459
 C      0.0922593458     -0.5672642894     -3.9969464293
 C      0.8834984038     -1.4025909092     -3.5882412084
 C      1.7539461407     -2.0466024036     -2.8120481125
 C      2.1436367388     -2.4227170540     -1.7321597130
 C      2.1848521708     -2.6045379508     -0.4115999029
 C      1.9575060612     -2.5849827888      0.7908577251
 C      1.6105225846     -2.2491957132      2.0645331240
 C      1.2190098228     -1.8209307297      3.1063501090
18
# ORCA AIMD Position Step 1313, t=1313.00 fs, E_Pot=-685.23364591 Hartree, Unit is Angstrom
 C      0.5634105700     -0.8302957188      3.7894832125
 C     -0.0853871014      0.2102272006      3.8032765875
 C     -0.8956126190      1.2585471712      3.4228618613
 C     -1.5231439452      1.8659280754      2.5845881608
 C     -2.1844769686      2.3636502728      1.4949649932
 C     -2.3686430994      2.3899158603      0.2923742790
 C     -2.3809654669      2.2850072300     -1.0393779071
 C     -2.0093026324      1.9678429435     -2.1575663874
 C     -1.2797883511      1.3380550685     -3.1083608428
 C     -0.7378845006      0.5313965560     -3.8051358965
 C      0.0917797999     -0.5637058586     -4.0050297556
 C      0.8802975976     -1.3959794278     -3.5944266426
 C      1.7493264077     -2.0501707571     -2.8102832011
 C      2.1402160218     -2.4268527107     -1.7315375647
 C      2.1917891272     -2.6056907370     -0.4080270800
 C      1.9569137567     -2.5929090446      0.7869889860
 C      1.6095128211     -2.2502160320      2.0576280022
 C      1.2137326994     -1.8249337719      3.1091509028
18
# ORCA AIMD Position Step 1314, t=1314.00 fs, E_Pot=-685.23471927 Hartree, Unit is Angstrom
 C      0.5640766073     -0.8395992066      3.7897624898
 C     -0.0911052795      0.2069309667      3.8012857846
 C     -0.8947787694      1.2527871853      3.4288069644
 C     -1.5207375181      1.8672071171      2.5882298131
 C     -2.1884442366      2.3619140372      1.4990611020
 C     -2.3680594673      2.3946114781      0.2869629050
 C     -2.3770961489      2.2936038019     -1.0364563700
 C     -2.0078474103      1.9781876426     -2.1562144387
 C     -1.2778150493      1.3432304928     -3.1053094595
 C     -0.7294271869      0.5306310843     -3.8062988785
 C      0.0909723904     -0.5593532743     -4.0127811126
 C      0.8769704605     -1.3887896428     -3.6013822741
 C      1.7444269722     -2.0539063423     -2.8087342580
 C      2.1369145521     -2.4311928254     -1.7308078377
 C      2.1987665870     -2.6070700439     -0.4036563059
 C      1.9564654232     -2.6006167624      0.7833482093
 C      1.6092243073     -2.2523228335      2.0494777703
 C      1.2078306298     -1.8278450019      3.1127818820
18
# ORCA AIMD Position Step 1315, t=1315.00 fs, E_Pot=-685.23431054 Hartree, Unit is Angstrom
 C      0.5639355281     -0.8475653603      3.7900196956
 C     -0.0964802633      0.2028374400      3.7994285955
 C     -0.8934458259      1.2462690386      3.4347368625
 C     -1.5190694002      1.8690101974      2.5916233133
 C     -2.1917411439      2.3597377801      1.5029842516
 C     -2.3677623862      2.3996189184      0.2829819713
 C     -2.3729665484      2.3021271393     -1.0346397968
 C     -2.0060636352      1.9885019307     -2.1545711768
 C     -1.2770712593      1.3490400046     -3.1021299869
 C     -0.7199816404      0.5285425696     -3.8078288324
 C      0.0898210240     -0.5541968923     -4.0202693505
 C      0.8739544995     -1.3814621302     -3.6087690373
 C      1.7390274794     -2.0576087889     -2.8076260280
 C      2.1337422400     -2.4357234720     -1.7298508750
 C      2.2058392117     -2.6086963115     -0.3992175672
 C      1.9560875444     -2.6080582509      0.7804504494
 C      1.6093339731     -2.2552027599      2.0409555211
 C      1.2017418190     -1.8301728455      3.1163026468
18
# ORCA AIMD Position Step 1316, t=1316.00 fs, E_Pot=-685.23276377 Hartree, Unit is Angstrom
 C      0.5627052809     -0.8537768855      3.7903606671
 C     -0.1012309963      0.1975600225      3.7977689441
 C     -0.8919074959      1.2393169773      3.4403512034
 C     -1.5180262089      1.8711645143      2.5949070260
 C     -2.1943757868      2.3571435866      1.5063658296
 C     -2.3676710333      2.4049132477      0.2811086129
 C     -2.3686405705      2.3106159401     -1.0339677912
 C     -2.0038426112      1.9986726906     -2.1528682159
 C     -1.2771448337      1.3549117325     -3.0992903802
 C     -0.7102235036      0.5260452506     -3.8091711700
 C      0.0883749599     -0.5483049677     -4.0275792262
 C      0.8716482480     -1.3744063838     -3.6162735719
 C      1.7329385394     -2.0611069717     -2.8071197085
 C      2.1306873374     -2.4404185600     -1.7285908489
 C      2.2130698732     -2.6105862540     -0.3954137800
 C      1.9557173722     -2.6152167341      0.7787350779
 C      1.6095028887     -2.2585313026      2.0329602076
 C      1.1958843660     -1.8324095388      3.1188006426
18
# ORCA AIMD Position Step 1317, t=1317.00 fs, E_Pot=-685.23104689 Hartree, Unit is Angstrom
 C      0.5602623733     -0.8580744404      3.7908451756
 C     -0.1052187539      0.1909186087      3.7963637867
 C     -0.8904716128      1.2322664345      3.4453304613
 C     -1.5174491119      1.8734561729      2.5982821801
 C     -2.1963460812      2.3541561133      1.5089871601
 C     -2.3677323739      2.4104693437      0.2817052120
 C     -2.3641990452      2.3191467075     -1.0342769093
 C     -2.0010669157      2.0085905343     -2.1513800091
 C     -1.2776149567      1.3602872904     -3.0972518536
 C     -0.7008432554      0.5240776342     -3.8097814656
 C      0.0867652663     -0.5418394038     -4.0347893264
 C      0.8703574907     -1.3679464510     -3.6236439065
 C      1.7260290214     -2.0642802656     -2.8072776030
 C      2.1277085023     -2.4452297924     -1.7270435964
 C      2.2205069406     -2.6127558931     -0.3927867910
 C      1.9553228670     -2.6221012723      0.7784745636
 C      1.6094291489     -2.2620279218      2.0262804474
 C      1.1905883632     -1.8349437933      3.1195414657
18
# ORCA AIMD Position Step 1318, t=1318.00 fs, E_Pot=-685.23012200 Hartree, Unit is Angstrom
 C      0.5566578651     -0.8605702219      3.7914733702
 C     -0.1084482013      0.1829459004      3.7952604916
 C     -0.8894303918      1.2254367964      3.4493682049
 C     -1.5171655652      1.8756572694      2.6019698943
 C     -2.1976333640      2.3507993032      1.5107942857
 C     -2.3679209892      2.4162615872      0.2848213638
 C     -2.3597265432      2.3278118252     -1.0352614920
 C     -1.9976189733      2.0181497166     -2.1503837594
 C     -1.2781280218      1.3647167430     -3.0963860362
 C     -0.6924680377      0.5234864522     -3.8092011007
 C      0.0852113661     -0.5350619184     -4.0419546667
 C      0.8702614047     -1.3622890880     -3.6307061356
 C      1.7182455787     -2.0670694852     -2.8080469658
 C      2.1247301287     -2.4500779821     -1.7253488076
 C      2.2281603656     -2.6152228831     -0.3916089372
 C      1.9549203439     -2.6287367377      0.7797017958
 C      1.6088802996     -2.2654821480      2.0215218557
 C      1.1860570810     -1.8380096570      3.1180462839
18
# ORCA AIMD Position Step 1319, t=1319.00 fs, E_Pot=-685.23045194 Hartree, Unit is Angstrom
 C      0.5521117724     -0.8616315967      3.7921852291
 C     -0.1110581450      0.1738867753      3.7944948863
 C     -0.8890320298      1.2191054165      3.4522003259
 C     -1.5170132828      1.8775476455      2.6061753270
 C     -2.1982029874      2.3470986566      1.5118876823
 C     -2.3682360437      2.4222623793      0.2902178675
 C     -2.3552974583      2.3366898557     -1.0365519977
 C     -1.9934030822      2.0272535300     -2.1501040041
 C     -1.2784420776      1.3679113796     -3.0969256758
 C     -0.6855974497      0.5249306995     -3.8071120052
 C      0.0840024111     -0.5283135478     -4.0490894577
 C      0.8713960762     -1.3575109629     -3.6373671975
 C      1.7096229139     -2.0694777404     -2.8092641301
 C      2.1216492196     -2.4548517312     -1.7237657900
 C      2.2359798967     -2.6180065619     -0.3918347158
 C      1.9545835140     -2.6351483636      0.7821832101
 C      1.6077135674     -2.2687696309      2.0190606087
 C      1.1823564832     -1.8416631589      3.1141301751
18
# ORCA AIMD Position Step 1320, t=1320.00 fs, E_Pot=-685.23185984 Hartree, Unit is Angstrom
 C      0.5469934018     -0.8618474234      3.7928644133
 C     -0.1133107100      0.1641900031      3.7940919209
 C     -0.8894485875      1.2134752174      3.4536346108
 C     -1.5168675959      1.8789431162      2.6110498397
 C     -2.1980064108      2.3430789907      1.5125036429
 C     -2.3686951363      2.4284426196      0.2974084145
 C     -2.3509643347      2.3458219827     -1.0377855096
 C     -1.9883703628      2.0358269683     -2.1506619038
 C     -1.2784452408      1.3697698223     -3.0989419713
 C     -0.6805405971      0.5287904171     -3.8033767332
 C      0.0834434082     -0.5219533187     -4.0561565408
 C      0.8736620285     -1.3535666594     -3.6436075500
 C      1.7002816558     -2.0715617562     -2.8106780048
 C      2.1183488056     -2.4594167827     -1.7226401809
 C      2.2438518356     -2.6211242110     -0.3931337275
 C      1.9544356138     -2.6413512707      0.7854652850
 C      1.6058900275     -2.2718609314      2.0190063561
 C      1.1794179341     -1.8457832666      3.1079191051
18
# ORCA AIMD Position Step 1321, t=1321.00 fs, E_Pot=-685.23370019 Hartree, Unit is Angstrom
 C      0.5417701340     -0.8619493409      3.7933633499
 C     -0.1155581470      0.1544496565      3.7940630935
 C     -0.8907567824      1.2086504467      3.4535811553
 C     -1.5166602751      1.8797205344      2.6166621525
 C     -2.1969890612      2.3387641427      1.5129843157
 C     -2.3693286901      2.4347765498      0.3057385865
 C     -2.3467418307      2.3551998815     -1.0386955878
 C     -1.9825331765      2.0438334966     -2.1520336600
 C     -1.2781709680      1.3703977685     -3.1023284271
 C     -0.6773661493      0.5351064134     -3.7980622285
 C      0.0838028537     -0.5162916962     -4.0630727865
 C      0.8768462674     -1.3503066013     -3.6494726336
 C      1.6904094752     -2.0734209530     -2.8119895755
 C      2.1147125011     -2.4636344594     -1.7223446884
 C      2.2516147226     -2.6245897440     -0.3949750456
 C      1.9546288146     -2.6473460305      0.7889631019
 C      1.6034851952     -2.2748316103      2.0211729083
 C      1.1770496864     -1.8500986034      3.0998338707
18
# ORCA AIMD Position Step 1322, t=1322.00 fs, E_Pot=-685.23519749 Hartree, Unit is Angstrom
 C      0.5369319919     -0.8627033111      3.7935276208
 C     -0.1181924452      0.1453146241      3.7944077360
 C     -0.8929233563      1.2046137511      3.4520735551
 C     -1.5163976405      1.8798416266      2.6229794937
 C     -2.1950982045      2.3341731345      1.5137293839
 C     -2.3701733026      2.4412489876      0.3144757746
 C     -2.3425978255      2.3647690659     -1.0391537606
 C     -1.9759669497      2.0512885874     -2.1540435401
 C     -1.2778030220      1.3701154070     -3.1067984120
 C     -0.6758697543      0.5435492235     -3.7914516667
 C      0.0852593332     -0.5115216234     -4.0697224964
 C      0.8806673022     -1.3475136146     -3.6550549435
 C      1.6802241685     -2.0751775944     -2.8129034843
 C      2.1106412399     -2.4673860426     -1.7232044116
 C      2.2590898833     -2.6284121281     -0.3967648041
 C      1.9553145758     -2.6531202204      0.7920864555
 C      1.6006885461     -2.2778667011      2.0250755653
 C      1.1749582253     -1.8542281975      3.0905465476
18
# ORCA AIMD Position Step 1323, t=1323.00 fs, E_Pot=-685.23581053 Hartree, Unit is Angstrom
 C      0.5328943586     -0.8647617575      3.7932273931
 C     -0.1215646967      0.1373568547      3.7951141971
 C     -0.8958096150      1.2012258892      3.4492772792
 C     -1.5161717853      1.8793664082      2.6298532305
 C     -2.1922910204      2.3293215356      1.5151309968
 C     -2.3712610538      2.4478560775      0.3229259217
 C     -2.3384558807      2.3744403656     -1.0391856286
 C     -1.9687980573      2.0582594759     -2.1563875445
 C     -1.2776700697      1.3694411200     -3.1119028155
 C     -0.6755903124      0.5534534930     -3.7840274450
 C      0.0878817639     -0.5076911886     -4.0759751192
 C      0.8848233461     -1.3449463043     -3.6604724544
 C      1.6699383824     -2.0769549272     -2.8131782620
 C      2.1060697050     -2.4705931899     -1.7254203664
 C      2.2661062264     -2.6325941121     -0.3979769398
 C      1.9566175449     -2.6586494519      0.7943441442
 C      1.5977913729     -2.2812518355      2.0299689942
 C      1.1727826992     -1.8577369153      3.0808994831
18
# ORCA AIMD Position Step 1324, t=1324.00 fs, E_Pot=-685.23552234 Hartree, Unit is Angstrom
 C      0.5299124573     -0.8685357699      3.7923728975
 C     -0.1259060960      0.1309496379      3.7961652534
 C     -0.8991847124      1.1982398102      3.4454784395
 C     -1.5161563666      1.8784523114      2.6370281646
 C     -2.1885456098      2.3242275398      1.5174928862
 C     -2.3726094596      2.4546002707      0.3305263225
 C     -2.3342113173      2.3841065978     -1.0389303417
 C     -1.9611863189      2.0648520277     -2.1586852505
 C     -1.2782118008      1.3690408440     -3.1170764469
 C     -0.6758701295      0.5639062380     -3.7764211582
 C      0.0916268161     -0.5047050345     -4.0817032131
 C      0.8890423095     -1.3423857496     -3.6658408627
 C      1.6597264498     -2.0788524129     -2.8126692763
 C      2.1009807250     -2.4732316782     -1.7290173809
 C      2.2725196171     -2.6371302502     -0.3982627683
 C      1.9586181815     -2.6639016401      0.7954168138
 C      1.5951485786     -2.2853381016      2.0349517040
 C      1.1701432198     -1.8601934882      3.0717947448
18
# ORCA AIMD Position Step 1325, t=1325.00 fs, E_Pot=-685.23486839 Hartree, Unit is Angstrom
 C      0.5280228705     -0.8741060279      3.7909263667
 C     -0.1312735855      0.1261898025      3.7975409836
 C     -0.9027493987      1.1953261648      3.4410572295
 C     -1.5165878188      1.8773357044      2.6441724217
 C     -2.1838753658      2.3189240198      1.5209545851
 C     -2.3742097472      2.4614794630      0.3369046091
 C     -2.3297514665      2.3936604203     -1.0385692740
 C     -1.9533094858      2.0711962827     -2.1605345163
 C     -1.2799099308      1.3696302037     -3.1217219936
 C     -0.6759558360      0.5738856219     -3.7693322201
 C      0.0963535270     -0.5023489708     -4.0867954526
 C      0.8931249561     -1.3396788631     -3.6712434630
 C      1.6496956946     -2.0809191039     -2.8113631426
 C      2.0954159905     -2.4753381851     -1.7338135491
 C      2.2782223750     -2.6420049869     -0.3975179630
 C      1.9613451846     -2.6688419820      0.7951886627
 C      1.5931204419     -2.2904845261      2.0391170639
 C      1.1667057192     -1.8612410949      3.0640493574
18
# ORCA AIMD Position Step 1326, t=1326.00 fs, E_Pot=-685.23462713 Hartree, Unit is Angstrom
 C      0.5270302158     -0.8811992431      3.7889119545
 C     -0.1375303122      0.1228774821      3.7992200835
 C     -0.9061778563      1.1921220487      3.4364429682
 C     -1.5177274026      1.8762949834      2.6509253701
 C     -2.1783433226      2.3134728632      1.5254411113
 C     -2.3760179010      2.4684746225      0.3419175206
 C     -2.3249778503      2.4030074239     -1.0382685921
 C     -1.9453471668      2.0774283820     -2.1615627627
 C     -1.2831825518      1.3718332664     -3.1253258379
 C     -0.6751418901      0.5824494204     -3.7634041903
 C      0.1018518154     -0.5003332451     -4.0911691943
 C      0.8969640292     -1.3367621638     -3.6767148972
 C      1.6398782100     -2.0831415151     -2.8093893830
 C      2.0894806956     -2.4770082443     -1.7394249198
 C      2.2831442395     -2.6471920439     -0.3958946335
 C      1.9647773302     -2.6734385416      0.7937383496
 C      1.5919959489     -2.2969772989      2.0417461505
 C      1.1622592880     -1.8606787033      3.0582217676
18
# ORCA AIMD Position Step 1327, t=1327.00 fs, E_Pot=-685.23520210 Hartree, Unit is Angstrom
 C      0.5265459660     -0.8892405529      3.7864197245
 C     -0.1443771557      0.1205729222      3.8011802216
 C     -0.9091673573      1.1882900814      3.4320552610
 C     -1.5198116886      1.8755969115      2.6569613436
 C     -2.1720693973      2.3079774829      1.5306521715
 C     -2.3779528841      2.4755396532      0.3456389670
 C     -2.3198242841      2.4120752627     -1.0381242806
 C     -1.9374721219      2.0836745665     -2.1614660911
 C     -1.2882586530      1.3760181656     -3.1275907262
 C     -0.6729225485      0.5889292139     -3.7590869675
 C      0.1078704531     -0.4983334167     -4.0947779134
 C      0.9005471583     -1.3336714664     -3.6822314868
 C      1.6302371784     -2.0854405542     -2.8070116900
 C      2.0833384112     -2.4783876166     -1.7453034357
 C      2.2872535599     -2.6526531954     -0.3937763656
 C      1.9688475505     -2.6776673135      0.7913116817
 C      1.5919218792     -2.3049501533      2.0424762194
 C      1.1567853967     -1.8585331497      3.0544666196
18
# ORCA AIMD Position Step 1328, t=1328.00 fs, E_Pot=-685.23628352 Hartree, Unit is Angstrom
 C      0.5260631877     -0.8974710296      3.7836019647
 C     -0.1514216473      0.1187074452      3.8033982171
 C     -0.9114852278      1.1835790712      3.4282388089
 C     -1.5229941823      1.8754386583      2.6620601970
 C     -2.1652346586      2.3025821576      1.5360970695
 C     -2.3799002943      2.4825998002      0.3483072325
 C     -2.3142731271      2.4208229306     -1.0381216221
 C     -1.9298396901      2.0900407491     -2.1600398674
 C     -1.2950680872      1.3821691323     -3.1285401924
 C     -0.6691155699      0.5930775913     -3.7565274913
 C      0.1141402948     -0.4960290445     -4.0976125891
 C      0.9039434724     -1.3305309908     -3.6877158400
 C      1.6206860555     -2.0876853462     -2.8045895690
 C      2.0771937456     -2.4796519825     -1.7508064540
 C      2.2905528734     -2.6583409699     -0.3917171033
 C      1.9734527766     -2.6815144834      0.7882782803
 C      1.5928631845     -2.3143385194      2.0413774480
 C      1.1504899619     -1.8550891839      3.0524804803
18
# ORCA AIMD Position Step 1329, t=1329.00 fs, E_Pot=-685.23706807 Hartree, Unit is Angstrom
 C      0.5250540914     -0.9050943460      3.7806553389
 C     -0.1582647195      0.1167080675      3.8058522457
 C     -0.9130169269      1.1778738967      3.4252052126
 C     -1.5273040275      1.8758959450      2.6661642740
 C     -2.1580622012      2.2974612044      1.5411724755
 C     -2.3817263307      2.4895616015      0.3502468628
 C     -2.3083568822      2.4292485322     -1.0381153680
 C     -1.9225708215      2.0966014645     -2.1572013791
 C     -1.3032237185      1.3898704206     -3.1285247677
 C     -0.6638980736      0.5951064361     -3.7555470930
 C      0.1204054541     -0.4931351092     -4.0997003856
 C      0.9072788363     -1.3275263439     -3.6930530955
 C      1.6111164149     -2.0897214325     -2.8025114546
 C      2.0712586455     -2.4809814102     -1.7552972295
 C      2.2930739175     -2.6642039022     -0.3903526086
 C      1.9784687225     -2.6849797340      0.7850735983
 C      1.5946199425     -2.3248930805      2.0388995118
 C      1.1437697805     -1.8508555329      3.0515745617
18
# ORCA AIMD Position Step 1330, t=1330.00 fs, E_Pot=-685.23700937 Hartree, Unit is Angstrom
 C      0.5230582708     -0.9114168983      3.7777908570
 C     -0.1645763723      0.1141017152      3.8085236354
 C     -0.9137896888      1.1712178863      3.4230021344
 C     -1.5326248431      1.8768929338      2.6694061012
 C     -2.1507939116      2.2928009208      1.5452527719
 C     -2.3832939600      2.4963294618      0.3517889487
 C     -2.3021532867      2.4373938065     -1.0378363200
 C     -1.9157373106      2.1033961065     -2.1529944267
 C     -1.3120995018      1.3984109392     -3.1281337421
 C     -0.6577355039      0.5955925784     -3.7557141837
 C      0.1264529211     -0.4894285541     -4.1010939318
 C      0.9106929021     -1.3248542058     -3.6981238000
 C      1.6014390046     -2.0914159837     -2.8011029138
 C      2.0657082833     -2.4825267171     -1.7582577175
 C      2.2948660548     -2.6701961575     -0.3902892918
 C      1.9837732033     -2.6880780218      0.7821181702
 C      1.5968860418     -2.3362431343      2.0357252855
 C      1.1371273877     -1.8464685035      3.0508479792
18
# ORCA AIMD Position Step 1331, t=1331.00 fs, E_Pot=-685.23627376 Hartree, Unit is Angstrom
 C      0.5197548936     -0.9159597046      3.7751926179
 C     -0.1701456709      0.1105841375      3.8113998292
 C     -0.9139640518      1.1638012072      3.4215220855
 C     -1.5387138160      1.8782133690      2.6720816327
 C     -2.1436603559      2.2887766761      1.5477825789
 C     -2.3844788056      2.5028208921      0.3532039147
 C     -2.2957724680      2.4453380916     -1.0369217655
 C     -1.9093497343      2.1104185994     -2.1475888988
 C     -1.3209761815      1.4069697161     -3.1280362951
 C     -0.6512477569      0.5953052696     -3.7564760878
 C      0.1321372923     -0.4847695258     -4.1018558944
 C      0.9143018329     -1.3226789500     -3.7028298956
 C      1.5916198048     -2.0926944169     -2.8005458194
 C      2.0606433385     -2.4843802661     -1.7593830484
 C      2.2959770012     -2.6762824505     -0.3919956213
 C      1.9892681131     -2.6908365930      0.7797422712
 C      1.5993275470     -2.3479811530      2.0325878165
 C      1.1310649987     -1.8425661752      3.0493954131
18
# ORCA AIMD Position Step 1332, t=1332.00 fs, E_Pot=-685.23555195 Hartree, Unit is Angstrom
 C      0.5150103084     -0.9185303523      3.7729767861
 C     -0.1749010080      0.1060522514      3.8144762038
 C     -0.9138004936      1.1559228293      3.4205427988
 C     -1.5452455168      1.8795417210      2.6745849617
 C     -2.1368537774      2.2855333993      1.5483511313
 C     -2.3851816475      2.5089773995      0.3546619731
 C     -2.2893405758      2.4531819713     -1.0349709357
 C     -1.9033585951      2.1176114154     -2.1412632781
 C     -1.3291798180      1.4147870202     -3.1288326319
 C     -0.6450742724      0.5950353436     -3.7572835944
 C      0.1373953152     -0.4791146544     -4.1020421700
 C      0.9181632612     -1.3210935787     -3.7071154557
 C      1.5817088488     -2.0935656722     -2.8008279816
 C      2.0560672382     -2.4865568406     -1.7586372466
 C      2.2964339116     -2.6824399243     -0.3957103620
 C      1.9948962964     -2.6932909199      0.7781204665
 C      1.6016473202     -2.3597306176      2.0301257466
 C      1.1259936827     -1.8396746977      3.0464776515
18
# ORCA AIMD Position Step 1333, t=1333.00 fs, E_Pot=-685.23548149 Hartree, Unit is Angstrom
 C      0.5089023715     -0.9192534197      3.7711620009
 C     -0.1789076283      0.1006053853      3.8177552334
 C     -0.9136129333      1.1479415402      3.4197842869
 C     -1.5518690419      1.8805232052      2.6773218268
 C     -2.1305092953      2.2831698135      1.5467447366
 C     -2.3853352770      2.5147683302      0.3562237945
 C     -2.2829809514      2.4610235028     -1.0316213449
 C     -1.8976688419      2.1248662802     -2.1343704057
 C     -1.3361774448      1.4212824023     -3.1309474551
 C     -0.6397740546      0.5954687286     -3.7576786336
 C      0.1422477752     -0.4725206881     -4.1016895816
 C      0.9222534333     -1.3200952569     -3.7109770410
 C      1.5718496722     -2.0941268031     -2.8017390905
 C      2.0518858108     -2.4889906338     -1.7562602103
 C      2.2962328657     -2.6886562271     -0.4013847941
 C      2.0006473146     -2.6954805085      0.7772376336
 C      1.6036248601     -2.3711871042      2.0287948830
 C      1.1221743779     -1.8381298788      3.0416287822
18
# ORCA AIMD Position Step 1334, t=1334.00 fs, E_Pot=-685.23621369 Hartree, Unit is Angstrom
 C      0.5017167790     -0.9185577852      3.7696591972
 C     -0.1823512300      0.0945264238      3.8212451810
 C     -0.9137203179      1.1402255737      3.4189638048
 C     -1.5582635182      1.8808240510      2.6806249924
 C     -2.1246923205      2.2817264054      1.5429823604
 C     -2.3849091010      2.5201921525      0.3578519153
 C     -2.2767924514      2.4689328807     -1.0266343896
 C     -1.8921650355      2.1320365029     -2.1272862400
 C     -1.3416298054      1.4261166553     -3.1345744813
 C     -0.6357597787      0.5971069292     -3.7573436463
 C      0.1467873067     -0.4651360238     -4.1008093517
 C      0.9264614553     -1.3195788217     -3.7144625511
 C      1.5622657765     -2.0945473078     -2.8029129033
 C      2.0479264777     -2.4915480469     -1.7527282927
 C      2.2953412872     -2.6949260721     -0.4086716068
 C      2.0065502074     -2.6974469751      0.7768951846
 C      1.6051381325     -2.3821404112      2.0288241255
 C      1.1196906937     -1.8380400467      3.0347024813
18
# ORCA AIMD Position Step 1335, t=1335.00 fs, E_Pot=-685.23736208 Hartree, Unit is Angstrom
 C      0.4939084995     -0.9171147405      3.7682860986
 C     -0.1855095313      0.0882401577      3.8249573785
 C     -0.9144049528      1.1331048070      3.4178428052
 C     -1.5641844286      1.8801843106      2.6846888591
 C     -2.1193922983      2.2811769940      1.5373303381
 C     -2.3839101499      2.5252780114      0.3594350131
 C     -2.2708283769      2.4769320874     -1.0199737475
 C     -1.8867396675      2.1389620644     -2.1203469216
 C     -1.3454068705      1.4292074111     -3.1396664629
 C     -0.6332649286      0.6002276051     -3.7561207953
 C      0.1511574940     -0.4571774361     -4.0993872727
 C      0.9306030605     -1.3193495177     -3.7176612083
 C      1.5532247396     -2.0950368290     -2.8039024370
 C      2.0439712793     -2.4940550708     -1.7486807051
 C      2.2937114533     -2.7012494486     -0.4169666260
 C      2.0126573874     -2.6992333687      0.7767597893
 C      1.6061728789     -2.3924860031      2.0302004807
 C      1.1184516654     -1.8392923486      3.0258651993
18
# ORCA AIMD Position Step 1336, t=1336.00 fs, E_Pot=-685.23830037 Hartree, Unit is Angstrom
 C      0.4860280278     -0.9157265597      3.7668015229
 C     -0.1887109732      0.0822442827      3.8289034718
 C     -0.9158781287      1.1268279945      3.4162620312
 C     -1.5694936793      1.8784531841      2.6895374196
 C     -2.1145278770      2.2814326550      1.5302801167
 C     -2.3823812115      2.5300841482      0.3608200333
 C     -2.2650815441      2.4849865475     -1.0118528884
 C     -1.8813195807      2.1455016126     -2.1137857142
 C     -1.3475745403      1.4307095982     -3.1459629035
 C     -0.6323290004      0.6048747372     -3.7540133836
 C      0.1555254197     -0.4488903623     -4.0973909287
 C      0.9344466027     -1.3191501400     -3.7206849557
 C      1.5449913113     -2.0958088198     -2.8042644366
 C      2.0397925545     -2.4963293440     -1.7448255762
 C      2.2913006873     -2.7076324835     -0.4254974923
 C      2.0190262041     -2.7008847008      0.7764344154
 C      1.6068212434     -2.4022312239      2.0326838166
 C      1.1182179226     -1.8415931128      3.0155451306
18
# ORCA AIMD Position Step 1337, t=1337.00 fs, E_Pot=-685.23855186 Hartree, Unit is Angstrom
 C      0.4786278293     -0.9151938078      3.7649469169
 C     -0.1922779581      0.0770220495      3.8330962176
 C     -0.9182585842      1.1215343359      3.4141608319
 C     -1.5741768311      1.8756103722      2.6950146877
 C     -2.1099568356      2.2823495776      1.5225023448
 C     -2.3803957265      2.5346952684      0.3618410094
 C     -2.2594813900      2.4930110416     -1.0027233405
 C     -1.8758736406      2.1515487334     -2.1077133145
 C     -1.3483758051      1.4309890527     -3.1530255701
 C     -0.6328037394      0.6108704919     -3.7511741067
 C      0.1600516679     -0.4405088050     -4.0947766757
 C      0.9377600980     -1.3187129549     -3.7236396405
 C      1.5377768626     -2.0970342194     -2.8036501447
 C      2.0351888419     -2.4982133101     -1.7418308688
 C      2.2880850902     -2.7140862781     -0.4334486089
 C      2.0256984850     -2.7024456328      0.7755503251
 C      1.6072706106     -2.4114927814      2.0358345906
 C      1.1186466934     -1.8445277858      3.0043536273
18
# ORCA AIMD Position Step 1338, t=1338.00 fs, E_Pot=-685.23800046 Hartree, Unit is Angstrom
 C      0.4721569107     -0.9161617979      3.7624863221
 C     -0.1964533830      0.0729298148      3.8375428669
 C     -0.9215613077      1.1172380370      3.4115878707
 C     -1.5783413950      1.8717696241      2.7008043291
 C     -2.1055000700      2.2837480354      1.5147713691
 C     -2.3780475150      2.5392141860      0.3623562398
 C     -2.2539031296      2.5008823569     -0.9932354434
 C     -1.8704142619      2.1570420042     -2.1021172678
 C     -1.3482041542      1.4305858539     -3.1602850320
 C     -0.6343671831      0.6178359354     -3.7478905700
 C      0.1648682929     -0.4322248971     -4.0914966417
 C      0.9403459995     -1.3178027060     -3.7265997233
 C      1.5317049295     -2.0988081293     -2.8018667938
 C      2.0300135896     -2.4996004842     -1.7402267355
 C      2.2840684346     -2.7206236043     -0.4400889225
 C      2.0326880203     -2.7039595963      0.7738334910
 C      1.6077806067     -2.4204760284      2.0390766807
 C      1.1193413574     -1.8476271623      2.9929947436
18
# ORCA AIMD Position Step 1339, t=1339.00 fs, E_Pot=-685.23689800 Hartree, Unit is Angstrom
 C      0.4668740859     -0.9189960489      3.7592418280
 C     -0.2013412848      0.0701114787      3.8422354434
 C     -0.9256941001      1.1138215603      3.4087016319
 C     -1.5821973000      1.8671653952      2.7064715131
 C     -2.1009762652      2.2854403923      1.5078574182
 C     -2.3754335141      2.5437468719      0.3622892961
 C     -2.2481936748      2.5084619992     -0.9841485691
 C     -1.8649843375      2.1619604327     -2.0968992074
 C     -1.3475572765      1.4301532932     -3.1671029436
 C     -0.6365651491      0.6252467553     -3.7445458258
 C      0.1700577305     -0.4241677042     -4.0875121535
 C      0.9420730382     -1.3162543533     -3.7295884080
 C      1.5267907566     -2.1011296546     -2.7989206317
 C      2.0242020884     -2.5004559596     -1.7403222495
 C      2.2792803518     -2.7272548023     -0.4448806612
 C      2.0399716592     -2.7054673131      0.7711603494
 C      1.6086430024     -2.4294307981      2.0417846161
 C      1.1199151875     -1.8504450673      2.9821532337
18
# ORCA AIMD Position Step 1340, t=1340.00 fs, E_Pot=-685.23569638 Hartree, Unit is Angstrom
 C      0.4628103208     -0.9237281549      3.7551112941
 C     -0.2068765723      0.0684541760      3.8471447817
 C     -0.9304775856      1.1110606899      3.4057483997
 C     -1.5860205730      1.8621187583      2.7115255776
 C     -2.0962340073      2.2872583450      1.5024243438
 C     -2.3726391267      2.5483883435      0.3616567192
 C     -2.2421998141      2.5156183773     -0.9762216792
 C     -1.8596381689      2.1663089168     -2.0919362057
 C     -1.3469698101      1.4303758925     -3.1728409840
 C     -0.6388745179      0.6325068264     -3.7415654940
 C      0.1756376278     -0.4163871287     -4.0827991996
 C      0.9428924694     -1.3139970358     -3.7325675884
 C      1.5229335811     -2.1038912781     -2.7950398696
 C      2.0177902243     -2.5008321465     -1.7421363646
 C      2.2737720739     -2.7339806845     -0.4475683331
 C      2.0474883435     -2.7070050525      0.7675811888
 C      1.6101283889     -2.4385928134      2.0433937673
 C      1.1200509047     -1.8526260042      2.9723896047
18
# ORCA AIMD Position Step 1341, t=1341.00 fs, E_Pot=-685.23482240 Hartree, Unit is Angstrom
 C      0.4597814391     -0.9300716843      3.7500731093
 C     -0.2128344579      0.0676052675      3.8522170122
 C     -0.9356740900      1.1086616244      3.4030276744
 C     -1.5901161600      1.8569966316      2.7154738619
 C     -2.0911734220      2.2890740505      1.4989493058
 C     -2.3697230843      2.5532063155      0.3605904149
 C     -2.2357931847      2.5222457719     -0.9701131669
 C     -1.8544234471      2.1700978892     -2.0871395830
 C     -1.3469349013      1.4318797426     -3.1769298331
 C     -0.6407912263      0.6390491590     -3.7393509910
 C      0.1815599363     -0.4088540639     -4.0773558561
 C      0.9428500033     -1.3110778163     -3.7354315114
 C      1.5199202927     -2.1068741393     -2.7906749114
 C      2.0109191919     -2.5008752238     -1.7453699472
 C      2.2676107988     -2.7407839552     -0.4482294689
 C      2.0551413660     -2.7086050183      0.7633285992
 C      1.6124329004     -2.4481201123      2.0435014841
 C      1.1195504510     -1.8539628071      2.9640548643
18
# ORCA AIMD Position Step 1342, t=1342.00 fs, E_Pot=-685.23449477 Hartree, Unit is Angstrom
 C      0.4574381323     -0.9374957560      3.7441849011
 C     -0.2188764628      0.0670451450      3.8573743772
 C     -0.9410317327      1.1063150191      3.4008436687
 C     -1.5947633305      1.8521530987      2.7178907738
 C     -2.0857661871      2.2908180844      1.4976590877
 C     -2.3667050192      2.5582285349      0.3593411619
 C     -2.2288948188      2.5282793506     -0.9662937907
 C     -1.8493679199      2.1733312741     -2.0824973533
 C     -1.3478056898      1.4351159662     -3.1789565353
 C     -0.6419376339      0.6444613546     -3.7381948094
 C      0.1877168250     -0.4014770021     -4.0712131436
 C      0.9420804635     -1.3076529798     -3.7380189321
 C      1.5174472800     -2.1097706789     -2.7864581707
 C      2.0038253111     -2.5008140621     -1.7494436281
 C      2.2608773602     -2.7476318376     -0.4472614125
 C      2.0628064018     -2.7102943446      0.7588023111
 C      1.6156329381     -2.4580370774      2.0419529909
 C      1.1183756641     -1.8544426429      2.9572255250
18
# ORCA AIMD Position Step 1343, t=1343.00 fs, E_Pot=-685.23469095 Hartree, Unit is Angstrom
 C      0.4553463875     -0.9453421902      3.7375701009
 C     -0.2246249569      0.0661998293      3.8625177137
 C     -0.9463319448      1.1037508723      3.3994530178
 C     -1.6001570958      1.8478635905      2.7184919057
 C     -2.0800613757      2.2924873049      1.4985091759
 C     -2.3635622692      2.5634401835      0.3582364389
 C     -2.2214905461      2.5337051412     -0.9649685936
 C     -1.8444709183      2.1759976130     -2.0781007700
 C     -1.3497127635      1.4402658108     -3.1787351393
 C     -0.6421500360      0.6485819659     -3.7382138276
 C      0.1939512353     -0.3941166114     -4.0644373424
 C      0.9407883805     -1.3039674101     -3.7401360285
 C      1.5151625070     -2.1122252967     -2.7831242016
 C      1.9968079383     -2.5009322515     -1.7535887083
 C      2.2536624150     -2.7544782377     -0.4453211052
 C      2.0703433611     -2.7120946323      0.7545316957
 C      1.6196673168     -2.4682123625      2.0388638946
 C      1.1166544362     -1.8542529683      2.9517004019
18
# ORCA AIMD Position Step 1344, t=1344.00 fs, E_Pot=-685.23523809 Hartree, Unit is Angstrom
 C      0.4530702145     -0.9529481343      3.7303941342
 C     -0.2297381846      0.0645496477      3.8675347783
 C     -0.9514338010      1.1007902119      3.3990154740
 C     -1.6063588887      1.8442653284      2.7171943476
 C     -2.0741784944      2.2941410972      1.5012059482
 C     -2.3602344137      2.5687907902      0.3576157418
 C     -2.2136379658      2.5385648455     -0.9660346118
 C     -1.8397009613      2.1780684641     -2.0741487671
 C     -1.3525255766      1.4471965390     -3.1763408758
 C     -0.6415205397      0.6515472913     -3.7393179192
 C      0.2000795762     -0.3866112747     -4.0571257256
 C      0.9392178691     -1.3003155815     -3.7415858883
 C      1.5127263258     -2.1138947759     -2.7813815926
 C      1.9901716314     -2.5015185958     -1.7570031605
 C      2.2460609601     -2.7612719313     -0.4432081212
 C      2.0776151397     -2.7140236195      0.7511012097
 C      1.6243536859     -2.4783793954      2.0345836069
 C      1.1146486807     -1.8537411943      2.9470597309
18
# ORCA AIMD Position Step 1345, t=1345.00 fs, E_Pot=-685.23597249 Hartree, Unit is Angstrom
 C      0.4502442419     -0.9597547333      3.7228323933
 C     -0.2339709575      0.0617156205      3.8723078518
 C     -0.9563011093      1.0973740150      3.3995656326
 C     -1.6132700701      1.8413217370      2.7141505247
 C     -2.0682892691      2.2958908131      1.5052647413
 C     -2.3566346583      2.5742071183      0.3577565750
 C     -2.2054604761      2.5429548043     -0.9690833237
 C     -1.8350003078      2.1795031120     -2.0709261867
 C     -1.3558806323      1.4554919077     -3.1720904506
 C     -0.6403716033      0.6537593296     -3.7412314051
 C      0.2059203777     -0.3788053897     -4.0493950521
 C      0.9376128465     -1.2969897398     -3.7422012690
 C      1.5098855878     -2.1145190780     -2.7817570691
 C      1.9841528887     -2.5028054466     -1.7590408148
 C      2.2381625957     -2.7679651698     -0.4417103388
 C      2.0845089484     -2.7160988006      0.7490448212
 C      1.6294306351     -2.4881902976      2.0296116967
 C      1.1126934466     -1.8533383119      2.9427709184
18
# ORCA AIMD Position Step 1346, t=1346.00 fs, E_Pot=-685.23676762 Hartree, Unit is Angstrom
 C      0.4466272474     -0.9653861775      3.7150353448
 C     -0.2372110235      0.0575129844      3.8767245962
 C     -0.9609997236      1.0935565620      3.4010147352
 C     -1.6206399461      1.8388248068      2.7097387262
 C     -2.0625951093      2.2978818522      1.5100881149
 C     -2.3526644791      2.5796108337      0.3588144334
 C     -2.1971324083      2.5470137129     -0.9734569413
 C     -1.8302989712      2.1802626822     -2.0687583179
 C     -1.3592614696      1.4645443626     -3.1664806664
 C     -0.6391674276      0.6557879029     -3.7435590381
 C      0.2113209537     -0.3705789730     -4.0413644585
 C      0.9361762503     -1.2942251264     -3.7418715782
 C      1.5065361316     -2.1139852203     -2.7844564641
 C      1.9788551732     -2.5049100497     -1.7593762338
 C      2.2300408385     -2.7745194068     -0.4414410264
 C      2.0909561004     -2.7183437126      0.7487252153
 C      1.6346104669     -2.4972813356      2.0245002668
 C      1.1111226122     -1.8534682012      2.9383085674
18
# ORCA AIMD Position Step 1347, t=1347.00 fs, E_Pot=-685.23747102 Hartree, Unit is Angstrom
 C      0.4421329362     -0.9696928574      3.7070982046
 C     -0.2394915856      0.0519684234      3.8806849390
 C     -0.9656683666      1.0894717578      3.4031807525
 C     -1.6281056790      1.8364344138      2.7045134902
 C     -2.0573026747      2.3002746886      1.5150498447
 C     -2.3482285867      2.5849320886      0.3607934317
 C     -2.1888521666      2.5509012477     -0.9783547367
 C     -1.8255359134      2.1803298187     -2.0679411848
 C     -1.3621029418      1.4736720428     -3.1601024852
 C     -0.6384033352      0.6582428901     -3.7458714116
 C      0.2161773083     -0.3618696213     -4.0331389748
 C      0.9350347211     -1.2921515086     -3.7405634827
 C      1.5027531880     -2.1123593689     -2.7892990849
 C      1.9742196953     -2.5078066741     -1.7580886872
 C      2.2217460951     -2.7809075427     -0.4427093268
 C      2.0969420960     -2.7207927154      0.7502357317
 C      1.6396263983     -2.5053294061      2.0197664775
 C      1.1102034334     -1.8544681897      2.9332565413
18
# ORCA AIMD Position Step 1348, t=1348.00 fs, E_Pot=-685.23791303 Hartree, Unit is Angstrom
 C      0.4368358677     -0.9727588627      3.6990429933
 C     -0.2409817338      0.0453049286      3.8841058977
 C     -0.9704754589      1.0852844042      3.4058363303
 C     -1.6352538485      1.8337429500      2.6991223237
 C     -2.0525991221      2.3032228964      1.5195765390
 C     -2.3432486931      2.5901213225      0.3635485754
 C     -2.1808077917      2.5547696011     -0.9829701991
 C     -1.8206858800      2.1797336544     -2.0686607746
 C     -1.3638842996      1.4822279959     -3.1535595471
 C     -0.6385016425      0.6616538374     -3.7477851655
 C      0.2204437694     -0.3526834494     -4.0247956534
 C      0.9342153816     -1.2907628519     -3.7383288167
 C      1.4987731495     -2.1098769863     -2.7957527360
 C      1.9700429964     -2.5113350107     -1.7556324817
 C      2.2133072429     -2.7871115214     -0.4454622627
 C      2.1025027415     -2.7234955024      0.7533592238
 C      1.6442673286     -2.5120935520      2.0158278180
 C      1.1100917044     -1.8565348276      2.9273740954
18
# ORCA AIMD Position Step 1349, t=1349.00 fs, E_Pot=-685.23799118 Hartree, Unit is Angstrom
 C      0.4309534828     -0.9748748056      3.6908147160
 C     -0.2419588744      0.0379021965      3.8869272994
 C     -0.9755767508      1.0811428494      3.4087558754
 C     -1.6416872137      1.8303468817      2.6942075169
 C     -2.0486309227      2.3068522111      1.5232210294
 C     -2.3376726196      2.5951560824      0.3668124506
 C     -2.1731420380      2.5587316128     -0.9866337938
 C     -1.8157835156      2.1785734843     -2.0709172739
 C     -1.3641966032      1.4896812516     -3.1474006921
 C     -0.6397382302      0.6663836417     -3.7490205309
 C      0.2241282710     -0.3430906800     -4.0163765312
 C      0.9336421363     -1.2899103264     -3.7352997602
 C      1.4949366658     -2.1068959620     -2.8030522495
 C      1.9660338187     -2.5152449032     -1.7527175334
 C      2.2047386373     -2.7931209571     -0.4493148245
 C      2.1077099358     -2.7265160737      0.7576068172
 C      1.6483999204     -2.5174381895      2.0129599751
 C      1.1108109453     -1.8597006176      2.9206232100
18
# ORCA AIMD Position Step 1350, t=1350.00 fs, E_Pot=-685.23778068 Hartree, Unit is Angstrom
 C      0.4248034908     -0.9764763986      3.6822977962
 C     -0.2427679382      0.0302363214      3.8891137246
 C     -0.9810836143      1.0771450032      3.4117543363
 C     -1.6470797966      1.8259091935      2.6903184953
 C     -2.0454894481      2.3112434308      1.5257076585
 C     -2.3314790960      2.6000431391      0.3702332446
 C     -2.1659245761      2.5628341061     -0.9889195138
 C     -1.8109404378      2.1770353047     -2.0744735459
 C     -1.3627778885      1.4956624131     -3.1420757201
 C     -0.6422042398      0.6725826394     -3.7494341105
 C      0.2272778033     -0.3332097435     -4.0078893659
 C      0.9331477807     -1.2893171437     -3.7316745541
 C      1.4916198293     -2.1038340207     -2.8103501434
 C      1.9618798982     -2.5192535028     -1.7501468674
 C      2.1960497411     -2.7989312176     -0.4536495985
 C      2.1126511652     -2.7299283762      0.7623132153
 C      1.6519806061     -2.5213421454      2.0112743926
 C      1.1122572308     -1.8638424400      2.9131589193
18
# ORCA AIMD Position Step 1351, t=1351.00 fs, E_Pot=-685.23752532 Hartree, Unit is Angstrom
 C      0.4187492172     -0.9780605437      3.6733407491
 C     -0.2437680524      0.0228025711      3.8906497047
 C     -0.9870436689      1.0733187483      3.4147144290
 C     -1.6512205733      1.8202127750      2.6878253304
 C     -2.0431988060      2.3164132998      1.5269800086
 C     -2.3246777195      2.6048148418      0.3734171294
 C     -2.1591470941      2.5670506891     -0.9896922607
 C     -1.8063404671      2.1753858685     -2.0788651742
 C     -1.3595302349      1.4999900223     -3.1379005315
 C     -0.6457966652      0.6801753362     -3.7490312055
 C      0.2299613594     -0.3231874157     -3.9993146400
 C      0.9325023273     -1.2886184644     -3.7276915595
 C      1.4891703230     -2.1011021288     -2.8168561617
 C      1.9573077172     -2.5231020218     -1.7486581857
 C      2.1872537270     -2.8045399645     -0.4577665015
 C      2.1174086290     -2.7338081124      0.7667630365
 C      1.6550579710     -2.5238949165      2.0107153543
 C      1.1142138483     -1.8687044378      2.9053039852
18
# ORCA AIMD Position Step 1352, t=1352.00 fs, E_Pot=-685.23751900 Hartree, Unit is Angstrom
 C      0.4131274984     -0.9800840268      3.6637991517
 C     -0.2452734108      0.0160309745      3.8915340476
 C     -0.9934359304      1.0696204586      3.4175965544
 C     -1.6540335755      1.8131927405      2.6868752777
 C     -2.0417179332      2.3223074092      1.5271947987
 C     -2.3173054903      2.6095219468      0.3759767640
 C     -2.1527332692      2.5712865060     -0.9890942705
 C     -1.8022180081      2.1739483295     -2.0834598394
 C     -1.3545268022      1.5026842296     -3.1350285385
 C     -0.6502325104      0.6888752803     -3.7479636568
 C      0.2322586468     -0.3131872248     -3.9906182709
 C      0.9314480373     -1.2874104873     -3.7235987333
 C      1.4878629117     -2.0990520891     -2.8219346583
 C      1.9521207379     -2.5265942375     -1.7488127961
 C      2.1783719149     -2.8099433056     -0.4610143685
 C      2.1220422168     -2.7382226538      0.7703029282
 C      1.6577667495     -2.5252840602      2.0110709132
 C      1.1163886994     -1.8739430743      2.8974946332
18
# ORCA AIMD Position Step 1353, t=1353.00 fs, E_Pot=-685.23794453 Hartree, Unit is Angstrom
 C      0.4081873940     -0.9828722026      3.6535735606
 C     -0.2475004296      0.0102108728      3.8917677672
 C     -1.0001696305      1.0659372175      3.4204429029
 C     -1.6555846458      1.8049507603      2.6873779492
 C     -2.0409492382      2.3288023397      1.5266916288
 C     -2.3094207017      2.6142232577      0.3775741350
 C     -2.1465637828      2.5754031670     -0.9874766496
 C     -1.7988193437      2.1730558661     -2.0875641962
 C     -1.3480193579      1.5039794614     -3.1334222785
 C     -0.6550724227      0.6982080276     -3.7465211478
 C      0.2342507015     -0.3033772203     -3.9817668499
 C      0.9297430235     -1.2853127655     -3.7196173883
 C      1.4878656405     -2.0979282245     -2.8251763355
 C      1.9462226682     -2.5296244157     -1.7509134768
 C      2.1694344530     -2.8151301925     -0.4629064646
 C      2.1265764478     -2.7432208152      0.7724314003
 C      1.6603132834     -2.5257715984      2.0119995878
 C      1.1184521436     -1.8791744191      2.8902229044
18
# ORCA AIMD Position Step 1354, t=1354.00 fs, E_Pot=-685.23877739 Hartree, Unit is Angstrom
 C      0.4040367902     -0.9865475698      3.6426440788
 C     -0.2505279725      0.0054372181      3.8913450833
 C     -1.0070943906      1.0620984676      3.4233683638
 C     -1.6560656157      1.7957443003      2.6890342889
 C     -2.0407609778      2.3357220974      1.5259128381
 C     -2.3010937877      2.6189764619      0.3779755982
 C     -2.1405036570      2.5792443745     -0.9853141992
 C     -1.7963602393      2.1730034126     -2.0905406855
 C     -1.3404256812      1.5043137064     -3.1328422286
 C     -0.6597593865      0.7075578502     -3.7451101627
 C      0.2360122599     -0.2939196226     -3.9727401102
 C      0.9271974902     -1.2820190173     -3.7159117378
 C      1.4892155071     -2.0978378483     -2.8264414686
 C      1.9396278060     -2.5321888972     -1.7549588508
 C      2.1604768471     -2.8200822164     -0.4631901134
 C      2.1310003250     -2.7488254027      0.7728477798
 C      1.6629441886     -2.5256593743      2.0130854918
 C      1.1200895860     -1.8840337680      2.8839619587
18
# ORCA AIMD Position Step 1355, t=1355.00 fs, E_Pot=-685.23977823 Hartree, Unit is Angstrom
 C      0.4006266016     -0.9910098652      3.6310826111
 C     -0.2542910008      0.0015978810      3.8902457266
 C     -1.0140144547      1.0578923431      3.4265461209
 C     -1.6557687864      1.7859570264      2.6913878017
 C     -2.0410077017      2.3428643582      1.5253195146
 C     -2.2923966031      2.6238254830      0.3770858819
 C     -2.1344327463      2.5826726928     -0.9830961162
 C     -1.7949854830      2.1739969438     -2.0919219232
 C     -1.3322945856      1.5042909214     -3.1328655306
 C     -0.6636823902      0.7162378472     -3.7442087821
 C      0.2376021196     -0.2849525497     -3.9635423171
 C      0.9237171729     -1.2773581715     -3.7125571826
 C      1.4918036165     -2.0987191560     -2.8258946867
 C      1.9324617778     -2.5343974384     -1.7606246852
 C      2.1515363163     -2.8247722427     -0.4618970363
 C      2.1352678214     -2.7550298353      0.7714905308
 C      1.6659086115     -2.5252442288      2.0139043790
 C      1.1210490627     -1.8882292528      2.8790945842
18
# ORCA AIMD Position Step 1356, t=1356.00 fs, E_Pot=-685.24064830 Hartree, Unit is Angstrom
 C      0.3977667674     -0.9959642105      3.6190478912
 C     -0.2586023985     -0.0015948373      3.8884366244
 C     -1.0207177945      1.0530951395      3.4301782935
 C     -1.6550435880      1.7760459486      2.6938999357
 C     -2.0415532618      2.3500296602      1.5253009798
 C     -2.2833894557      2.6287913117      0.3749720855
 C     -2.1282691609      2.5855981475     -0.9812272039
 C     -1.7947424390      2.1761238160     -2.0914874272
 C     -1.3242315695      1.5045954986     -3.1329535379
 C     -0.6662628723      0.7235919651     -3.7442981561
 C      0.2390540982     -0.2765680949     -3.9542093249
 C      0.9193304129     -1.2713340244     -3.7095240919
 C      1.4953735028     -2.1003338132     -2.8240060491
 C      1.9249507470     -2.5364697478     -1.7672815238
 C      2.1426472013     -2.8291696828     -0.4593478056
 C      2.1393064668     -2.7617981261      0.7685441764
 C      1.6694138585     -2.5247686567      2.0140997437
 C      1.1211864866     -1.8915944355      2.8758438323
18
# ORCA AIMD Position Step 1357, t=1357.00 fs, E_Pot=-685.24120050 Hartree, Unit is Angstrom
 C      0.3951703218     -1.0009898522      3.6067644412
 C     -0.2631992079     -0.0045385827      3.8858817674
 C     -1.0270158781      1.0475132235      3.4344523004
 C     -1.6542423994      1.7664729401      2.6960378185
 C     -2.0422860938      2.3570474116      1.5261076914
 C     -2.2741134794      2.6338672882      0.3718651366
 C     -2.1219836726      2.5879991269     -0.9799510924
 C     -1.7955741489      2.1793444320     -2.0892946721
 C     -1.3167927736      1.5058655971     -3.1325631904
 C     -0.6670600792      0.7291198690     -3.7457699227
 C      0.2403685839     -0.2687948098     -3.9448119356
 C      0.9141976968     -1.2641377182     -3.7066836451
 C      1.4995456403     -2.1022899157     -2.8215051418
 C      1.9173964323     -2.5387158899     -1.7740623516
 C      2.1338366637     -2.8332469584     -0.4561127929
 C      2.1430305413     -2.7690701316      0.7644181306
 C      1.6735854123     -2.5243798407      2.0134483978
 C      1.1204982628     -1.8941226879      2.8742255342
18
# ORCA AIMD Position Step 1358, t=1358.00 fs, E_Pot=-685.24145124 Hartree, Unit is Angstrom
 C      0.3925158767     -1.0056304489      3.5944916366
 C     -0.2678026444     -0.0076536876      3.8825558090
 C     -1.0327891333      1.0410324568      3.4394882122
 C     -1.6536609389      1.7576310583      2.6973597023
 C     -2.0431259701      2.3637908244      1.5278218266
 C     -2.2645880966      2.6390197168      0.3681337191
 C     -2.1156084648      2.5899332262     -0.9792975563
 C     -1.7973273849      2.1835012341     -2.0856740165
 C     -1.3103678971      1.5085470656     -3.1312781486
 C     -0.6658788863      0.7326080422     -3.7488243941
 C      0.2415099525     -0.2615885061     -3.9354573117
 C      0.9086037403     -1.2561369324     -3.7038270233
 C      1.5038700338     -2.1040969273     -2.8192750955
 C      1.9101311564     -2.5414929473     -1.7799899782
 C      2.1251244528     -2.8369882079     -0.4529359622
 C      2.1463549907     -2.7767685066      0.7596950068
 C      1.6784436975     -2.5241087503      2.0118991840
 C      1.1191285179     -1.8959738298      2.8740379551
18
# ORCA AIMD Position Step 1359, t=1359.00 fs, E_Pot=-685.24154622 Hartree, Unit is Angstrom
 C      0.3895021407     -1.0094729488      3.5824883547
 C     -0.2721591626     -0.0113220176      3.8784570104
 C     -1.0380241730      1.0336638299      3.4452938952
 C     -1.6534920387      1.7497874311      2.6975806311
 C     -2.0440214388      2.3701793761      1.5303689758
 C     -2.2548184006      2.6441946731      0.3642417783
 C     -2.1092287668      2.5915299483     -0.9790891964
 C     -1.7997796146      2.1883523854     -2.0811678406
 C     -1.3050974683      1.5127895568     -3.1289139573
 C     -0.6628365327      0.7342103897     -3.7534111304
 C      0.2424246824     -0.2548561371     -3.9262789110
 C      0.9029127936     -1.2478136867     -3.7007155985
 C      1.5079034138     -2.1052605276     -2.8181834218
 C      1.9034631963     -2.5451430001     -1.7841474874
 C      2.1165215241     -2.8403909965     -0.4505998078
 C      2.1492086654     -2.7848094587      0.7550315375
 C      1.6839063166     -2.5238822355      2.0095596122
 C      1.1173442638     -1.8974383921      2.8749045895
18
# ORCA AIMD Position Step 1360, t=1360.00 fs, E_Pot=-685.24163605 Hartree, Unit is Angstrom
 C      0.3859058977     -1.0122233808      3.5709782233
 C     -0.2760856997     -0.0158214152      3.8736169970
 C     -1.0428283011      1.0255620692      3.4517407850
 C     -1.6537999360      1.7430493072      2.6966079622
 C     -2.0449421158      2.3761726020      1.5335569513
 C     -2.2448031089      2.6493273484      0.3606879011
 C     -2.1029720203      2.5929770224     -0.9789658567
 C     -1.8026689722      2.1936035945     -2.0764639806
 C     -1.3008585619      1.5184224079     -3.1255525660
 C     -0.6583595776      0.7344480565     -3.7592221071
 C      0.2430602723     -0.2484808992     -3.9174273289
 C      0.8975267665     -1.2397063127     -3.6971158432
 C      1.5112986863     -2.1053860524     -2.8188789346
 C      1.8976021257     -2.5499074082     -1.7858921566
 C      2.1080367353     -2.8434695560     -0.4497879376
 C      2.1515411270     -2.7931129436      0.7510448606
 C      1.6898105848     -2.5235527247      2.0066604006
 C      1.1154856187     -1.8988803917      2.8763448481
18
# ORCA AIMD Position Step 1361, t=1361.00 fs, E_Pot=-685.24174551 Hartree, Unit is Angstrom
 C      0.3816219849     -1.0137583830      3.5601196442
 C     -0.2794936019     -0.0212908278      3.8681033565
 C     -1.0474131187      1.0170111989      3.4585773213
 C     -1.6545295052      1.7373731054      2.6945304175
 C     -2.0458690868      2.3817578149      1.5371303767
 C     -2.2345437640      2.6543511403      0.3579517079
 C     -2.0969840769      2.5944917485     -0.9784606633
 C     -1.8057285179      2.1989496760     -2.0722985017
 C     -1.2973281414      1.5250257050     -3.1214963907
 C     -0.6531064200      0.7341166876     -3.7657595349
 C      0.2433949651     -0.2423672525     -3.9090540006
 C      0.8928310518     -1.2323331217     -3.6928370831
 C      1.5138728188     -2.1042672285     -2.8216224784
 C      1.8926064317     -2.5558568407     -1.7850287935
 C      2.0996837465     -2.8462526049     -0.4509383536
 C      2.1533226899     -2.8016119741      0.7481910360
 C      1.6959516311     -2.5229429678      2.0034900550
 C      1.1139021008     -1.9006639429      2.8778637641
18
# ORCA AIMD Position Step 1362, t=1362.00 fs, E_Pot=-685.24175326 Hartree, Unit is Angstrom
 C      0.3767008050     -1.0141711785      3.5499783424
 C     -0.2824182057     -0.0276882604      3.8620241671
 C     -1.0520658877      1.0083894942      3.4654500633
 C     -1.6555259764      1.7325839309      2.6915914755
 C     -2.0467828842      2.3869335948      1.5408405353
 C     -2.2240527054      2.6592102668      0.3564290765
 C     -2.0914016507      2.5962848877     -0.9770957777
 C     -1.8087204625      2.2041145494     -2.0693521001
 C     -1.2940903358      1.5320599679     -3.1171645516
 C     -0.6478281962      0.7341223228     -3.7724482852
 C      0.2434458613     -0.2364603624     -3.9012964240
 C      0.8891497936     -1.2261293490     -3.6877508496
 C      1.5156352545     -2.1019339954     -2.8262073281
 C      1.8883638223     -2.5628522060     -1.7818892809
 C      2.0914895640     -2.8487861615     -0.4541527598
 C      2.1545426578     -2.8102570284      0.7466766829
 C      1.7021198913     -2.5218875224      2.0003388249
 C      1.1128908461     -1.9030853302      2.8790356089
18
# ORCA AIMD Position Step 1363, t=1363.00 fs, E_Pot=-685.24150126 Hartree, Unit is Angstrom
 C      0.3713533654     -1.0137723326      3.5405194076
 C     -0.2850179976     -0.0347969957      3.8555159841
 C     -1.0570903926      1.0000997929      3.4719735923
 C     -1.6565876632      1.7284375384      2.6881150699
 C     -2.0476579135      2.3916976889      1.5444974622
 C     -2.2133538682      2.6638667218      0.3563960132
 C     -2.0863210928      2.5985167307     -0.9745114091
 C     -1.8114697237      2.2088992313     -2.0681204861
 C     -1.2907413963      1.5389959826     -3.1129909145
 C     -0.6432287762      0.7353149134     -3.7787462233
 C      0.2432764461     -0.2307713436     -3.8942609089
 C      0.8866994932     -1.2213797386     -3.6818050841
 C      1.5167570554     -2.0986298590     -2.8320345198
 C      1.8846290384     -2.5705765368     -1.7772524733
 C      2.0835010471     -2.8511313398     -0.4591574817
 C      2.1551962838     -2.8190146550      0.7464288933
 C      1.7081404563     -2.5202669110      1.9974369980
 C      1.1126457489     -1.9063224386      2.8795643461
18
# ORCA AIMD Position Step 1364, t=1364.00 fs, E_Pot=-685.24094152 Hartree, Unit is Angstrom
 C      0.3659245339     -1.0130514480      3.5316149402
 C     -0.2875551839     -0.0422547738      3.8487365390
 C     -1.0627615059      0.9925118975      3.4777801014
 C     -1.6575099727      1.7246720136      2.6844481758
 C     -2.0484588018      2.3960396402      1.5480035024
 C     -2.2024853967      2.6683059786      0.3579959525
 C     -2.0817715385      2.6012609412     -0.9705772204
 C     -1.8138866298      2.2132146913     -2.0688193313
 C     -1.2869681348      1.5454151362     -3.1093378413
 C     -0.6398555440      0.7383571675     -3.7842293416
 C      0.2429911183     -0.2253800746     -3.8880109412
 C      0.8855622931     -1.2181813845     -3.6750291336
 C      1.5175086623     -2.0947444091     -2.8382704167
 C      1.8810884921     -2.5786061709     -1.7721749410
 C      2.0757835556     -2.8533627367     -0.4653495368
 C      2.1552823014     -2.8278664219      0.7471315827
 C      1.7138940669     -2.5180274052      1.9949208538
 C      1.1132402585     -1.9104165215      2.8793107569
18
# ORCA AIMD Position Step 1365, t=1365.00 fs, E_Pot=-685.24022359 Hartree, Unit is Angstrom
 C      0.3608402952     -1.0126033289      3.5230738519
 C     -0.2903589046     -0.0496078600      3.8418475192
 C     -1.0692854522      0.9859117990      3.4825670022
 C     -1.6581243157      1.7210580284      2.6809025268
 C     -2.0491399180      2.3999337670      1.5513710730
 C     -2.1914968398      2.6725379699      0.3612340169
 C     -2.0777086291      2.6044901380     -0.9654421032
 C     -1.8159721454      2.2170956846     -2.0713407245
 C     -1.2825912241      1.5510649743     -3.1064465911
 C     -0.6380226733      0.7436335684     -3.7886377842
 C      0.2427088940     -0.2204120757     -3.8825634698
 C      0.8856810970     -1.2164338996     -3.6675298304
 C      1.5181929813     -2.0907297313     -2.8440310348
 C      1.8774307156     -2.5864986837     -1.7677773714
 C      2.0684157072     -2.8555654611     -0.4719197465
 C      2.1547981258     -2.8368011405      0.7483198758
 C      1.7193300295     -2.5151884797      1.9928152579
 C      1.1146297037     -1.9152804227      2.8782897108
18
# ORCA AIMD Position Step 1366, t=1366.00 fs, E_Pot=-685.23965845 Hartree, Unit is Angstrom
 C      0.3565283000     -1.0130169979      3.5146897786
 C     -0.2937648655     -0.0563983825      3.8349936831
 C     -1.0767773833      0.9804721069      3.4861261045
 C     -1.6583238171      1.7174345218      2.6777157325
 C     -2.0496480394      2.4033382745      1.5547166168
 C     -2.1804461911      2.6765946976      0.3659882649
 C     -2.0740254131      2.6080849218     -0.9595138509
 C     -1.8178037770      2.2206870712     -2.0752810848
 C     -1.2775795326      1.5558788571     -3.1044150405
 C     -0.6377818489      0.7512128310     -3.7918883170
 C      0.2425369033     -0.2160092070     -3.8778934401
 C      0.8868723484     -1.2158574520     -3.6594827119
 C      1.5190944756     -2.0870304466     -2.8485247490
 C      1.8733997159     -2.5938658457     -1.7650585519
 C      2.0614787894     -2.8578273173     -0.4780056033
 C      2.1537399478     -2.8458073152      0.7494858390
 C      1.7244657666     -2.5118393324      1.9910377098
 C      1.1166770635     -1.9207302208      2.8766412857
18
# ORCA AIMD Position Step 1367, t=1367.00 fs, E_Pot=-685.23957245 Hartree, Unit is Angstrom
 C      0.3533261807     -1.0147493047      3.5062951023
 C     -0.2980408801     -0.0622677854      3.8282806488
 C     -1.0852541715      0.9762421176      3.4883569818
 C     -1.6580760323      1.7137284006      2.6750331710
 C     -2.0499268561      2.4062004790      1.5582328774
 C     -2.1693974337      2.6805236675      0.3720305922
 C     -2.0705765520      2.6118616716     -0.9533759346
 C     -1.8195054304      2.2242085527     -2.0800263535
 C     -1.2720485821      1.5599692752     -3.1031988369
 C     -0.6389288754      0.7608592571     -3.7940655202
 C      0.2425524836     -0.2123043114     -3.8739422957
 C      0.8888512074     -1.2160325852     -3.6511186313
 C      1.5204446257     -2.0840336181     -2.8511421611
 C      1.8688283620     -2.6004244030     -1.7647507611
 C      2.0550456059     -2.8602269120     -0.4828416577
 C      2.1521052689     -2.8548676156      0.7501658604
 C      1.7293751163     -2.5081266668      1.9894212131
 C      1.1191912484     -1.9265280659      2.8745864762
18
# ORCA AIMD Position Step 1368, t=1368.00 fs, E_Pot=-685.24010996 Hartree, Unit is Angstrom
 C      0.3514009324     -1.0180146805      3.4978127096
 C     -0.3033188483     -0.0670497101      3.8217529726
 C     -1.0946356306      0.9731536643      3.4892699588
 C     -1.6574247918      1.7099612860      2.6729032925
 C     -2.0499239467      2.4084648313      1.5621472701
 C     -2.1584192578      2.6843801249      0.3790520066
 C     -2.0672065255      2.6156106659     -0.9476758984
 C     -1.8212204022      2.2279100191     -2.0848640503
 C     -1.2662371462      1.5636034732     -3.1026211849
 C     -0.6410510380      0.7720753284     -3.7953972849
 C      0.2427973700     -0.2094042560     -3.8706319125
 C      0.8912709734     -1.2164550252     -3.6427040782
 C      1.5224056209     -2.0820309529     -2.8515076313
 C      1.8636553949     -2.6060284356     -1.7672203041
 C      2.0491699983     -2.8628229569     -0.4858836605
 C      2.1498944718     -2.8639512152      0.7500018697
 C      1.7341686647     -2.5042338189      1.9877514802
 C      1.1219689688     -1.9324304674      2.8723740277
18
# ORCA AIMD Position Step 1369, t=1369.00 fs, E_Pot=-685.24108506 Hartree, Unit is Angstrom
 C      0.3506999638     -1.0227228101      3.4892816152
 C     -0.3095542862     -0.0708215839      3.8153839411
 C     -1.1047532462      0.9710295680      3.4889820091
 C     -1.6564845270      1.7062437214      2.6712873373
 C     -2.0495984267      2.4100876992      1.5666700270
 C     -2.1475818998      2.6882182456      0.3866988595
 C     -2.0637738628      2.6191323611     -0.9430093972
 C     -1.8230789329      2.2320263324     -2.0891045644
 C     -1.2604781540      1.5671642940     -3.1023964004
 C     -0.6435973877      0.7841852450     -3.7962183905
 C      0.2432850655     -0.2073846821     -3.8678730114
 C      0.8937705601     -1.2166057684     -3.6345127867
 C      1.5250475668     -2.0811800748     -2.8495155875
 C      1.8579312185     -2.6106861302     -1.7724153375
 C      2.0438775738     -2.8656473769     -0.4868893882
 C      2.1471162992     -2.8730147589      0.7487784389
 C      1.7389671350     -2.5003559385      1.9858102536
 C      1.1248360005     -1.9382309111      2.8702320611
18
# ORCA AIMD Position Step 1370, t=1370.00 fs, E_Pot=-685.24201789 Hartree, Unit is Angstrom
 C      0.3509668591     -1.0285083165      3.4808501538
 C     -0.3165408827     -0.0738802268      3.8090821558
 C     -1.1153704771      0.9695995061      3.4877068420
 C     -1.6554247848      1.7027577379      2.6700735389
 C     -2.0489290587      2.4110543515      1.5719381662
 C     -2.1369463506      2.6920802540      0.3946049484
 C     -2.0601743750      2.6222717943     -0.9398042929
 C     -1.8251775120      2.2367469286     -2.0921707389
 C     -1.2551480404      1.5710870880     -3.1021883526
 C     -0.6459548820      0.7964309778     -3.7969150087
 C      0.2439916277     -0.2062699088     -3.8655816325
 C      0.8960286193     -1.2160234983     -3.6267863310
 C      1.5283347665     -2.0814774344     -2.8453596645
 C      1.8518142017     -2.6145660880     -1.7798458023
 C      2.0391613656     -2.8687060767     -0.4859523672
 C      2.1437885236     -2.8820014527      0.7464355480
 C      1.7438786606     -2.4966783882      1.9834191347
 C      1.1276744856     -1.9437863591      2.8683274225
18
# ORCA AIMD Position Step 1371, t=1371.00 fs, E_Pot=-685.24235264 Hartree, Unit is Angstrom
 C      0.3517937784     -1.0348103901      3.4727409258
 C     -0.3239613750     -0.0766728308      3.8027114477
 C     -1.1262043122      0.9685206778      3.4857340475
 C     -1.6544491738      1.6997302385      2.6691043068
 C     -2.0479160379      2.4113895731      1.5779844853
 C     -2.1265605515      2.6959928294      0.4024238013
 C     -2.0563487802      2.6249385832     -0.9382564981
 C     -1.8275623189      2.2421900231     -2.0936768190
 C     -1.2506079168      1.5757907382     -3.1016615692
 C     -0.6475449595      0.8080918144     -3.7978604314
 C      0.2448618781     -0.2060259136     -3.8636851348
 C      0.8978126133     -1.2143753070     -3.6196989439
 C      1.5321093032     -2.0827238608     -2.8395526316
 C      1.8455589299     -2.6179967281     -1.7886252608
 C      2.0349816194     -2.8719841803     -0.4834760629
 C      2.1399395585     -2.8908506372      0.7430808798
 C      1.7489792940     -2.4933531373      1.9804641123
 C      1.1304394300     -1.9490332443      2.8667424305
18
# ORCA AIMD Position Step 1372, t=1372.00 fs, E_Pot=-685.24173882 Hartree, Unit is Angstrom
 C      0.3527084693     -1.0409960319      3.4652015178
 C     -0.3314647509     -0.0796920135      3.7961187998
 C     -1.1369517976      0.9674040843      3.4833998004
 C     -1.6537674678      1.6973968691      2.6682146284
 C     -2.0465840526      2.4111717831      1.5846988734
 C     -2.1164550190      2.6999604257      0.4098640677
 C     -2.0522890205      2.6271242526     -0.9382766418
 C     -1.8302243997      2.2483903611     -2.0934787420
 C     -1.2471283121      1.5815885666     -3.1005623106
 C     -0.6479163925      0.8186018776     -3.7993365917
 C      0.2458052223     -0.2065475260     -3.8621297688
 C      0.8990163271     -1.2115075691     -3.6133306369
 C      1.5360971446     -2.0845226090     -2.8328984534
 C      1.8394907305     -2.6214427762     -1.7975676494
 C      2.0312703842     -2.8754566136     -0.4801196571
 C      2.1356089645     -2.8995062795      0.7389852569
 C      1.7543002625     -2.4904837280      1.9769154582
 C      1.1331587710     -1.9539839842      2.8654696529
18
# ORCA AIMD Position Step 1373, t=1373.00 fs, E_Pot=-685.24030223 Hartree, Unit is Angstrom
 C      0.3532721303     -1.0464914431      3.4584521656
 C     -0.3387405762     -0.0833748207      3.7891634166
 C     -1.1473260284      0.9658598759      3.4810415115
 C     -1.6535648265      1.6959618986      2.6672719158
 C     -2.0449784861      2.4105296640      1.5918404115
 C     -2.1066425782      2.7039663507      0.4167047819
 C     -2.0480339462      2.6288993307     -0.9395078909
 C     -1.8331004329      2.2552999061     -2.0916760347
 C     -1.2448407978      1.5886274983     -3.0987777202
 C     -0.6468017337      0.8276248202     -3.8014711290
 C      0.2466852793     -0.2076423522     -3.8608910286
 C      0.8996675460     -1.2074559108     -3.6076663495
 C      1.5399498709     -2.0863350358     -2.8263889429
 C      1.8339602782     -2.6254501475     -1.8053571616
 C      2.0279448324     -2.8790997981     -0.4766763416
 C      2.1308442511     -2.9079212179      0.7345452116
 C      1.7598289472     -2.4881265518      1.9728156574
 C      1.1359107409     -1.9586995084      2.8644318540
18
# ORCA AIMD Position Step 1374, t=1374.00 fs, E_Pot=-685.23865524 Hartree, Unit is Angstrom
 C      0.3531485401     -1.0508695677      3.4526489069
 C     -0.3455711591     -0.0880332377      3.7817353789
 C     -1.1570833631      0.9635389579      3.4789501452
 C     -1.6539697439      1.6955520659      2.6662279585
 C     -2.0431629037      2.4096407837      1.5990493881
 C     -2.0971235862      2.7079748956      0.4228007879
 C     -2.0436625722      2.6304078189     -0.9413547957
 C     -1.8360822154      2.2627973577     -2.0885983486
 C     -1.2437055058      1.5968472545     -3.0963761952
 C     -0.6441469032      0.8350917776     -3.8042022180
 C      0.2473213905     -0.2090346839     -3.8599735688
 C      0.8999112331     -1.2024235349     -3.6026127200
 C      1.5433109366     -2.0875821667     -2.8210226519
 C      1.8292865849     -2.6305529701     -1.8107710277
 C      2.0249190097     -2.8829003181     -0.4739594919
 C      2.1256993019     -2.9160633651      0.7302264988
 C      1.7655130883     -2.4862941373      1.9682680553
 C      1.1387962771     -1.9632597255      2.8635120420
18
# ORCA AIMD Position Step 1375, t=1375.00 fs, E_Pot=-685.23757383 Hartree, Unit is Angstrom
 C      0.3521559372     -1.0539110761      3.4478625083
 C     -0.3518552742     -0.0938181162      3.7737686349
 C     -1.1660497287      0.9601780018      3.4773293967
 C     -1.6550317489      1.6961835009      2.6651539436
 C     -2.0412152220      2.4087221745      1.6058783979
 C     -2.0878924894      2.7119359256      0.4280778600
 C     -2.0392833824      2.6318469705     -0.9430578314
 C     -1.8390292910      2.2707061198     -2.0847517303
 C     -1.2435224900      1.6059901964     -3.0936041390
 C     -0.6401007175      0.8411851406     -3.8072837640
 C      0.2475022328     -0.2103895133     -3.8594115896
 C      0.8999734959     -1.1967313902     -3.5980280761
 C      1.5458968200     -2.0877900411     -2.8175711982
 C      1.8256909386     -2.6371470698     -1.8129349572
 C      2.0221201362     -2.8868630026     -0.4726692367
 C      2.1202332083     -2.9239138479      0.7264722871
 C      1.7712665666     -2.4849661079      1.9634270386
 C      1.1419064258     -1.9677268674      2.8625852088
18
# ORCA AIMD Position Step 1376, t=1376.00 fs, E_Pot=-685.23746275 Hartree, Unit is Angstrom
 C      0.3502947098     -1.0556306167      3.4440679571
 C     -0.3576158855     -0.1007036494      3.7652546899
 C     -1.1741310452      0.9556348347      3.4762654420
 C     -1.6567109562      1.6977423758      2.6642583479
 C     -2.0392206662      2.4080126156      1.6118423754
 C     -2.0789509239      2.7157916654      0.4325093900
 C     -2.0350177729      2.6334400508     -0.9437885616
 C     -1.8417874828      2.2788166189     -2.0807477450
 C     -1.2439733753      1.6156508030     -3.0908349111
 C     -0.6349675813      0.8462670515     -3.8103386904
 C      0.2470086561     -0.2113435361     -3.8592573085
 C      0.9001115304     -1.1907574239     -3.5937633028
 C      1.5475689570     -2.0867266975     -2.8163557264
 C      1.8232439942     -2.6453702840     -1.8115474270
 C      2.0195009659     -2.8910097761     -0.4732746615
 C      2.1145086061     -2.9314655075      0.7236158197
 C      1.7769788935     -2.4840979886      1.9584767032
 C      1.1452938220     -1.9721175620      2.8615513016
18
# ORCA AIMD Position Step 1377, t=1377.00 fs, E_Pot=-685.23806024 Hartree, Unit is Angstrom
 C      0.3477510030     -1.0562749220      3.4411488534
 C     -0.3629933364     -0.1084906269      3.7562473447
 C     -1.1813126561      0.9499006797      3.4757239509
 C     -1.6588885510      1.6999977280      2.6638615169
 C     -2.0372619781      2.4077442662      1.6164870210
 C     -2.0703137912      2.7194864479      0.4360951527
 C     -2.0309798649      2.6353969017     -0.9427863554
 C     -1.8442076985      2.2869167002     -2.0771959074
 C     -1.2446873755      1.6253544749     -3.0884928864
 C     -0.6291411541      0.8507896930     -3.8129315794
 C      0.2456472830     -0.2115573385     -3.8595673969
 C      0.9005621149     -1.1848658330     -3.5896925646
 C      1.5483648747     -2.0844780838     -2.8171492651
 C      1.8218447972     -2.6550376111     -1.8069823330
 C      2.0170498874     -2.8953813483     -0.4759135762
 C      2.1085900036     -2.9387168205      0.7217990531
 C      1.7825267270     -2.4836339839      1.9536123778
 C      1.1489543804     -1.9763864369      2.8603568534
18
# ORCA AIMD Position Step 1378, t=1378.00 fs, E_Pot=-685.23870072 Hartree, Unit is Angstrom
 C      0.3448716737     -1.0562879940      3.4389117578
 C     -0.3682262641     -0.1168383926      3.7468542243
 C     -1.1876509775      0.9430871751      3.4755689537
 C     -1.6613964581      1.7026443219      2.6643359401
 C     -2.0354058428      2.4081082907      1.6194664654
 C     -2.0620078256      2.7229792949      0.4388452925
 C     -2.0272504957      2.6378714706     -0.9395103852
 C     -1.8461694998      2.2948327257     -2.0745760842
 C     -1.2453089094      1.6346467106     -3.0869702459
 C     -0.6230319220      0.8552081567     -3.8146489059
 C      0.2432896896     -0.2107757344     -3.8603836252
 C      0.9014941987     -1.1793374420     -3.5857332610
 C      1.5484744039     -2.0814178940     -2.8192561168
 C      1.8212476395     -2.6656793666     -1.8002078670
 C      2.0147920800     -2.9000371366     -0.4803522171
 C      2.1025396185     -2.9456728793      0.7209376208
 C      1.7877891088     -2.4835159541      1.9490189970
 C      1.1528256705     -1.9804295066      2.8590036275
18
# ORCA AIMD Position Step 1379, t=1379.00 fs, E_Pot=-685.23888659 Hartree, Unit is Angstrom
 C      0.3421095139     -1.0562407038      3.4371134411
 C     -0.3736168426     -0.1253271979      3.7372186503
 C     -1.1932574293      0.9353914994      3.4755994969
 C     -1.6640600239      1.7053679882      2.6660260065
 C     -2.0336868287      2.4092210049      1.6206138936
 C     -2.0540646600      2.7262540100      0.4407722045
 C     -2.0238569663      2.6409296990     -0.9337674137
 C     -1.8475972156      2.3024657600     -2.0731292969
 C     -1.2455556503      1.6431704844     -3.0865580414
 C     -0.6170020689      0.8599115485     -3.8151615696
 C      0.2399045542     -0.2088776691     -3.8617180272
 C      0.9029766451     -1.1743182024     -3.5818536333
 C      1.5481728164     -2.0780885298     -2.8217295882
 C      1.8211257760     -2.6766625106     -1.7925541745
 C      2.0127812568     -2.9050544264     -0.4860274378
 C      2.0964120879     -2.9523474164      0.7207488292
 C      1.7926631510     -2.4836916672      1.9448496266
 C      1.1568000006     -1.9841024794      2.8575442236
18
# ORCA AIMD Position Step 1380, t=1380.00 fs, E_Pot=-685.23857285 Hartree, Unit is Angstrom
 C      0.3399439793     -1.0567311350      3.4355009394
 C     -0.3794729016     -0.1335428948      3.7274957722
 C     -1.1982784146      0.9270583089      3.4755912326
 C     -1.6667370416      1.7079092653      2.6691734561
 C     -2.0320983147      2.4111006978      1.6199818430
 C     -2.0465163341      2.7293240725      0.4418933328
 C     -2.0207655909      2.6445373437     -0.9257759985
 C     -1.8484645684      2.3098060987     -2.0728057780
 C     -1.2452550330      1.6507156626     -3.0874034409
 C     -0.6113255595      0.8651791229     -3.8142646264
 C      0.2355769267     -0.2059026209     -3.8635404234
 C      0.9049661147     -1.1697992093     -3.5780732347
 C      1.5477453300     -2.0750538744     -2.8236150854
 C      1.8211415689     -2.6873369551     -1.7854355694
 C      2.0110878180     -2.9105215568     -0.4921594604
 C      2.0902520412     -2.9587623232      0.7208307311
 C      1.7970715396     -2.4841195841      1.9412119933
 C      1.1607489273     -1.9872490191      2.8560636179
18
# ORCA AIMD Position Step 1381, t=1381.00 fs, E_Pot=-685.23809902 Hartree, Unit is Angstrom
 C      0.3387946845     -1.0582752743      3.4338537881
 C     -0.3860424829     -0.1411622906      3.7178264780
 C     -1.2028669696      0.9183344940      3.4753369349
 C     -1.6693490967      1.7101160368      2.6738624977
 C     -2.0305901802      2.4136601196      1.6178485535
 C     -2.0393933163      2.7322321345      0.4422305448
 C     -2.0178915766      2.6485731490     -0.9161306877
 C     -1.8487797976      2.3169155469     -2.0732995728
 C     -1.2443624852      1.6572381993     -3.0894940925
 C     -0.6061646431      0.8711546602     -3.8118861684
 C      0.2304946671     -0.2020378387     -3.8657802228
 C      0.9073279604     -1.1656401429     -3.5744424479
 C      1.5474221398     -2.0727778370     -2.8241415350
 C      1.8210034413     -2.6971448567     -1.7801124476
 C      2.0097832834     -2.9165283715     -0.4979181940
 C      2.0840972453     -2.9649414915      0.7207665760
 C      1.8009667578     -2.4847765110      1.9381663291
 C      1.1645429280     -1.9897228711      2.8546626244
18
# ORCA AIMD Position Step 1382, t=1382.00 fs, E_Pot=-685.23788272 Hartree, Unit is Angstrom
 C      0.3389323953     -1.0611999143      3.4320263303
 C     -0.3934364117     -0.1480456996      3.7083173228
 C     -1.2071781065      0.9094600365      3.4746661968
 C     -1.6718849183      1.7119563220      2.6800099521
 C     -2.0290779791      2.4167226411      1.6146767579
 C     -2.0327235387      2.7350403762      0.4418443622
 C     -2.0151183217      2.6528574550     -0.9057249533
 C     -1.8485723754      2.3238983050     -2.0741303444
 C     -1.2429551263      1.6628472672     -3.0926697488
 C     -0.6015769414      0.8778581753     -3.8080767724
 C      0.2249379414     -0.1975968559     -3.8683346419
 C      0.9098595373     -1.1616054007     -3.5710334538
 C      1.5473467094     -2.0715671170     -2.8228066482
 C      1.8205001259     -2.7056807298     -1.7775342514
 C      2.0089258812     -2.9231526225     -0.5025689964
 C      2.0779806026     -2.9709023949      0.7202024139
 C      1.8043198153     -2.4856541644      1.9357388873
 C      1.1680846435     -1.9914179768      2.8534218354
18
# ORCA AIMD Position Step 1383, t=1383.00 fs, E_Pot=-685.23811275 Hartree, Unit is Angstrom
 C      0.3404266929     -1.0655819769      3.4299649088
 C     -0.4015861458     -0.1542776298      3.6990297042
 C     -1.2113508190      0.9006478906      3.4734604289
 C     -1.6743966923      1.7135134584      2.6873805065
 C     -2.0274558405      2.4200488215      1.6110528474
 C     -2.0265340797      2.7378216644      0.4408423094
 C     -2.0123192453      2.6571878212     -0.8956106947
 C     -1.8478706672      2.3308594822     -2.0747679127
 C     -1.2412256312      1.6677931226     -3.0966300069
 C     -0.5975189794      0.8851821251     -3.8030010016
 C      0.2192444516     -0.1929715932     -3.8710744632
 C      0.9123313312     -1.1574226500     -3.5679150474
 C      1.5475539253     -2.0715256389     -2.8194302892
 C      1.8195224852     -2.7127254930     -1.7782214673
 C      2.0085462540     -2.9304457841     -0.5056197581
 C      2.0719333990     -2.9766520216      0.7189142582
 C      1.8071169618     -2.4867583019      1.9339290940
 C      1.1713173731     -1.9922790907      2.8523915321
18
# ORCA AIMD Position Step 1384, t=1384.00 fs, E_Pot=-685.23865907 Hartree, Unit is Angstrom
 C      0.3431218746     -1.0712307776      3.4277166631
 C     -0.4102323736     -0.1601689864      3.6899830097
 C     -1.2155121107      0.8920889011      3.4716498157
 C     -1.6769775486      1.7149515384      2.6956344655
 C     -2.0256156312      2.4233792005      1.6075889961
 C     -2.0208475243      2.7406441768      0.4394099919
 C     -2.0093800182      2.6613735568     -0.8868617587
 C     -1.8466930634      2.3378810633     -2.0747285003
 C     -1.2394486091      1.6724219604     -3.1009841772
 C     -0.5938735896      0.8929302135     -3.7969064196
 C      0.2137784640     -0.1885877384     -3.8738608045
 C      0.9145187446     -1.1528281446     -3.5651427065
 C      1.5479758928     -2.0725648804     -2.8141370539
 C      1.8180674024     -2.7182509382     -1.7822195585
 C      2.0086401015     -2.9384245675     -0.5068969622
 C      2.0659862453     -2.9821817879      0.7168250040
 C      1.8093476065     -2.4881026025      1.9327301238
 C      1.1742495766     -1.9923235926      2.8515613116
18
# ORCA AIMD Position Step 1385, t=1385.00 fs, E_Pot=-685.23918169 Hartree, Unit is Angstrom
 C      0.3466677958     -1.0777347763      3.4254127654
 C     -0.4189694709     -0.1661966176      3.6811629541
 C     -1.2197722358      0.8839437399      3.4692082292
 C     -1.6797392096      1.7164766548      2.7043859528
 C     -2.0234626607      2.4264766971      1.6048285623
 C     -2.0156800507      2.7435593697      0.4378095409
 C     -2.0062128815      2.6652633721     -0.8804269359
 C     -1.8450428469      2.3450062726     -2.0736561236
 C     -1.2379408200      1.6771299325     -3.1053020562
 C     -0.5904736704      0.9008478756     -3.7900892997
 C      0.2088871470     -0.1848482595     -3.8765583390
 C      0.9162347977     -1.1476085225     -3.5627461490
 C      1.5484511472     -2.0744102604     -2.8073392668
 C      1.8162364867     -2.7224216287     -1.7890975594
 C      2.0091653269     -2.9470703325     -0.5065700369
 C      2.0601679490     -2.9874690714      0.7140098964
 C      1.8110014709     -2.4897055799      1.9321359683
 C      1.1769585207     -1.9916435315      2.8508569962
18
# ORCA AIMD Position Step 1386, t=1386.00 fs, E_Pot=-685.23939786 Hartree, Unit is Angstrom
 C      0.3505972537     -1.0845594234      3.4232317409
 C     -0.4273324504     -0.1728969421      3.6725348253
 C     -1.2242144392      0.8763256610      3.4661480928
 C     -1.6827925472      1.7183008457      2.7132583892
 C     -2.0209249665      2.4291586450      1.6031756082
 C     -2.0110395388      2.7465934794      0.4363481658
 C     -2.0027656305      2.6687672871     -0.8769937254
 C     -1.8429027827      2.3522284395     -2.0713890135
 C     -1.2370206410      1.6823127944     -3.1091596958
 C     -0.5871286257      0.9086579106     -3.7828551582
 C      0.2048563995     -0.1820716896     -3.8790503838
 C      0.9173615318     -1.1416436792     -3.5607125323
 C      1.5487336430     -2.0766070845     -2.7997139654
 C      1.8142239603     -2.7255869476     -1.7980087750
 C      2.0100501686     -2.9563366463     -0.5051126023
 C      2.0545036147     -2.9924831745      0.7106918129
 C      1.8120737283     -2.4915905378      1.9321332708
 C      1.1795711581     -1.9903876236      2.8501611599
18
# ORCA AIMD Position Step 1387, t=1387.00 fs, E_Pot=-685.23929509 Hartree, Unit is Angstrom
 C      0.3544127821     -1.0911528155      3.4213663362
 C     -0.4348899299     -0.1807549022      3.6640608730
 C     -1.2288907352      0.8692960664      3.4625055547
 C     -1.6862293611      1.7206062773      2.7219303672
 C     -2.0179581209      2.4313155936      1.6028509572
 C     -2.0069249915      2.7497415821      0.4353345176
 C     -1.9990262194      2.6718687903     -0.8768879444
 C     -1.8402361629      2.3594930562     -2.0679807465
 C     -1.2369554729      1.6883079239     -3.1122032079
 C     -0.5836638788      0.9161092044     -3.7754726666
 C      0.2018747605     -0.1804458402     -3.8812513718
 C      0.9178660012     -1.1349304391     -3.5589858660
 C      1.5485204702     -2.0785651698     -2.7921287538
 C      1.8122912619     -2.7282457816     -1.8078188503
 C      2.0112053310     -2.9661594794     -0.5031998868
 C      2.0490135295     -2.9971895998      0.7072042611
 C      1.8125699590     -2.4937878717      1.9326918338
 C      1.1822458239     -1.9887426625      2.8493329778
18
# ORCA AIMD Position Step 1388, t=1388.00 fs, E_Pot=-685.23917951 Hartree, Unit is Angstrom
 C      0.3576773740     -1.0970482593      3.4199875675
 C     -0.4413317359     -0.1900984625      3.6557127223
 C     -1.2338105169      0.8628529859      3.4583334982
 C     -1.6901113065      1.7235234794      2.7301607787
 C     -2.0145458245      2.4329137961      1.6038915760
 C     -2.0033277976      2.7529684364      0.4350166195
 C     -1.9950254969      2.6746308839     -0.8799999770
 C     -1.8369859548      2.3666959079     -2.0637184999
 C     -1.2379188420      1.6953435188     -3.1141918016
 C     -0.5799529141      0.9230117686     -3.7681359634
 C      0.2000040515     -0.1799887282     -3.8831168635
 C      0.9178098892     -1.1275951142     -3.5574660451
 C      1.5474881130     -2.0796258104     -2.7855369924
 C      1.8107298629     -2.7309803191     -1.8172790600
 C      2.0125392816     -2.9764702972     -0.5015812353
 C      2.0437120440     -3.0015513527      0.7039400955
 C      1.8125146478     -2.4963421653      1.9337470540
 C      1.1851381582     -1.9868970350      2.8482448601
18
# ORCA AIMD Position Step 1389, t=1389.00 fs, E_Pot=-685.23949736 Hartree, Unit is Angstrom
 C      0.3600830128     -1.1019341448      3.4192162783
 C     -0.4465236845     -0.2010342080      3.6474818982
 C     -1.2389392055      0.8569376510      3.4536892761
 C     -1.6944576506      1.7271063254      2.7378069444
 C     -2.0106984718      2.4339925998      1.6061627780
 C     -2.0002347027      2.7562098061      0.4355522053
 C     -1.9908386142      2.6771975417     -0.8857678323
 C     -1.8330841360      2.3736914608     -2.0591121957
 C     -1.2399466180      1.7034881879     -3.1150441107
 C     -0.5759515881      0.9292707298     -3.7609394056
 C      0.1991713887     -0.1805378626     -3.8846432823
 C      0.9173419491     -1.1198882164     -3.5560222243
 C      1.5453492555     -2.0791776973     -2.7808045274
 C      1.8098076654     -2.7343459907     -1.8252571432
 C      2.0139716153     -2.9872013761     -0.5009298011
 C      2.0386106960     -3.0055360354      0.7012702146
 C      1.8119536822     -2.4993094750      1.9351937887
 C      1.1883691827     -1.9850108204      2.8468137893
18
# ORCA AIMD Position Step 1390, t=1390.00 fs, E_Pot=-685.24044822 Hartree, Unit is Angstrom
 C      0.3615028630     -1.1057059546      3.4191037375
 C     -0.4505392339     -0.2134084072      3.6393848798
 C     -1.2441994248      0.8514419625      3.4486299718
 C     -1.6992422015      1.7313275433      2.7448204317
 C     -2.0064507591      2.4346479077      1.6094063091
 C     -1.9976299498      2.7593823881      0.4369838759
 C     -1.9865805727      2.6797799748     -0.8932295826
 C     -1.8284584584      2.3803019067     -2.0548571883
 C     -1.2429286620      1.7126370546     -3.1148398015
 C     -0.5717099912      0.9348919198     -3.7538762627
 C      0.1991733377     -0.1817579248     -3.8858690202
 C      0.9166873880     -1.1121629757     -3.5545046112
 C      1.5419203255     -2.0768057040     -2.7785093866
 C      1.8097073511     -2.7387284781     -1.8309703131
 C      2.0154403265     -2.9982890902     -0.5017228001
 C      2.0337215944     -3.0091182527      0.6994616524
 C      1.8109581805     -2.5027587526      1.9368833263
 C      1.1919959065     -1.9831851635      2.8450290886
18
# ORCA AIMD Position Step 1391, t=1391.00 fs, E_Pot=-685.24172532 Hartree, Unit is Angstrom
 C      0.3620157145     -1.1084831656      3.4196238171
 C     -0.4536583902     -0.2268147539      3.6314656583
 C     -1.2494804410      0.8462251372      3.4432060385
 C     -1.7043974914      1.7360805082      2.7512361971
 C     -2.0018577107      2.4350161720      1.6132911200
 C     -1.9954956888      2.7623942858      0.4392469949
 C     -1.9823934121      2.6826311344     -0.9011583697
 C     -1.8230474370      2.3863417618     -2.0517396780
 C     -1.2466179622      1.7225262475     -3.1138080452
 C     -0.5673630937      0.9399697593     -3.7468555181
 C      0.1997030568     -0.1831782504     -3.8868661899
 C      0.9161127308     -1.1048306232     -3.5527661734
 C      1.5371773595     -2.0724203917     -2.7787748244
 C      1.8104756731     -2.7442241072     -1.8341620472
 C      2.0169034056     -3.0096726685     -0.5041530116
 C      2.0290603168     -3.0122874928      0.6986041903
 C      1.8096221310     -2.5067673939      1.9386311026
 C      1.1959982238     -1.9814467059      2.8429622523
18
# ORCA AIMD Position Step 1392, t=1392.00 fs, E_Pot=-685.24266634 Hartree, Unit is Angstrom
 C      0.3618964185     -1.1105906094      3.4206763158
 C     -0.4563377507     -0.2406453135      3.6237918452
 C     -1.2546623906      0.8411388128      3.4374553221
 C     -1.7098191305      1.7411910257      2.7571586047
 C     -1.9969901967      2.4352514741      1.6174656471
 C     -1.9938096476      2.7651613952      0.4421999431
 C     -1.9784232494      2.6860007836     -0.9082821370
 C     -1.8168205752      2.3916653863     -2.0504818803
 C     -1.2506670400      1.7327738710     -3.1122911663
 C     -0.5631020013      0.9446621071     -3.7397363759
 C      0.2004002646     -0.1842651249     -3.8877267904
 C      0.9158798977     -1.0982885044     -3.5506863060
 C      1.5312766616     -2.0663055724     -2.7812232332
 C      1.8120055214     -2.7506013356     -1.8351425641
 C      2.0183409067     -3.0213002463     -0.5080997516
 C      2.0246452553     -3.0150516167      0.6985775742
 C      1.8080516598     -2.5114116233      1.9402373288
 C      1.2002869892     -1.9797555883      2.8407549972
18
# ORCA AIMD Position Step 1393, t=1393.00 fs, E_Pot=-685.24277704 Hartree, Unit is Angstrom
 C      0.3615634071     -1.1124971544      3.4221084333
 C     -0.4591506859     -0.2541748634      3.6164437882
 C     -1.2596326748      0.8360429932      3.4314001959
 C     -1.7153817082      1.7464432707      2.7627358752
 C     -1.9919250393      2.4355038636      1.6216105715
 C     -1.9925444675      2.7676189970      0.4456514144
 C     -1.9747913539      2.6900865277     -0.9135265165
 C     -1.8098019049      2.3962199413     -2.0515523568
 C     -1.2546785063      1.7429404085     -3.1107013836
 C     -0.5591259597      0.9491418784     -3.7323693268
 C      0.2009095840     -0.1845032083     -3.8885399775
 C      0.9161921071     -1.0928399283     -3.5481956316
 C      1.5245264421     -2.0590569861     -2.7850831562
 C      1.8140656876     -2.7573674000     -1.8346597404
 C      2.0197500616     -3.0331315206     -0.5131791902
 C      2.0204956654     -3.0174382961      0.6990737454
 C      1.8063513375     -2.5167596261      1.9415103356
 C      1.2047305657     -1.9780274496      2.8385903099
18
# ORCA AIMD Position Step 1394, t=1394.00 fs, E_Pot=-685.24208388 Hartree, Unit is Angstrom
 C      0.3614886529     -1.1147143683      3.4237536718
 C     -0.4626880945     -0.2666839417      3.6094945360
 C     -1.2642990006      0.8308197703      3.4250492326
 C     -1.7209603384      1.7516118440      2.7681230756
 C     -1.9867334657      2.4359044522      1.6254863579
 C     -1.9916720754      2.7697244228      0.4493874772
 C     -1.9715626750      2.6949900179     -0.9162362033
 C     -1.8020943509      2.4000846226     -2.0549960189
 C     -1.2582626890      1.7526009720     -3.1094680972
 C     -0.5555950626      0.9535440682     -3.7246385881
 C      0.2009507334     -0.1834797063     -3.8893639406
 C      0.9171411201     -1.0886261713     -3.5453002707
 C      1.5173223567     -2.0514448899     -2.7893931935
 C      1.8163612270     -2.7639037765     -1.8336683913
 C      2.0211336264     -3.0451297520     -0.5188462634
 C      2.0166341488     -3.0195002257      0.6996624418
 C      1.8046099368     -2.5228630855      1.9422919490
 C      1.2091865722     -1.9761573085      2.8366547007
18
# ORCA AIMD Position Step 1395, t=1395.00 fs, E_Pot=-685.24103699 Hartree, Unit is Angstrom
 C      0.3620813636     -1.1176723948      3.4254724674
 C     -0.4674521391     -0.2775780104      3.6029987230
 C     -1.2686017698      0.8253902475      3.4183970586
 C     -1.7264392702      1.7564809512      2.7734684083
 C     -1.9814790018      2.4365573088      1.6289353497
 C     -1.9911645015      2.7714600244      0.4532001771
 C     -1.9687325756      2.7006960379     -0.9162649906
 C     -1.7938834843      2.4034818681     -2.0603848431
 C     -1.2610734533      1.7613834893     -3.1089975197
 C     -0.5526114166      0.9579462074     -3.7164829140
 C      0.2003621344     -0.1809422402     -3.8902099747
 C      0.9186815648     -1.0855954403     -3.5420896522
 C      1.5100823271     -2.0442697694     -2.7931937743
 C      1.8185939000     -2.7696015781     -1.8331102878
 C      2.0224956895     -3.0572584553     -0.5245182910
 C      2.0130834553     -3.0213092783      0.6998790108
 C      1.8028849475     -2.5297397869      1.9424862260
 C      1.2135481869     -1.9740732595      2.8350845442
18
# ORCA AIMD Position Step 1396, t=1396.00 fs, E_Pot=-685.24011935 Hartree, Unit is Angstrom
 C      0.3635726332     -1.1216092682      3.4271770590
 C     -0.4737425764     -0.2864960989      3.5969745238
 C     -1.2725109945      0.8197090966      3.4114393905
 C     -1.7317229644      1.7608758514      2.7788682316
 C     -1.9762137859      2.4375196087      1.6319183996
 C     -1.9909930623      2.7728353669      0.4568884872
 C     -1.9662296523      2.7070756792     -0.9139572241
 C     -1.7854260443      2.4067571308     -2.0668650502
 C     -1.2628629515      1.7690265327     -3.1096208070
 C     -0.5501794402      0.9623270000     -3.7079298142
 C      0.1991290351     -0.1768386922     -3.8910285567
 C      0.9206235421     -1.0834919490     -3.5387299310
 C      1.5031827883     -2.0382376031     -2.7956835553
 C      1.8205184541     -2.7739731111     -1.8337212533
 C      2.0238338645     -3.0694766576     -0.5296978275
 C      2.0098645149     -3.0229399674      0.6993037015
 C      1.8011933400     -2.5373714421      1.9420643795
 C      1.2177620083     -1.9717534255      2.8339449768
18
# ORCA AIMD Position Step 1397, t=1397.00 fs, E_Pot=-685.23961740 Hartree, Unit is Angstrom
 C      0.3659430972     -1.1265015708      3.4288520169
 C     -0.4815903377     -0.2933711662      3.5914019699
 C     -1.2760277276      0.8137725852      3.4041751694
 C     -1.7367384947      1.7646681259      2.7843666922
 C     -1.9709803573      2.4388097014      1.6344829486
 C     -1.9911303943      2.7738781318      0.4602715323
 C     -1.9639345552      2.7139254733     -0.9099831888
 C     -1.7770163998      2.4103155702     -2.0733462177
 C     -1.2634972271      1.7753980438     -3.1115606311
 C     -0.5482182052      0.9665741965     -3.6990899919
 C      0.1973712083     -0.1713011140     -3.8917186056
 C      0.9226700185     -1.0819114192     -3.5354398877
 C      1.4969243237     -2.0338901070     -2.7962910965
 C      1.8219676170     -2.7767022074     -1.8359459801
 C      2.0251358245     -3.0817304398     -0.5340578964
 C      2.0069932234     -3.0244639269      0.6976228499
 C      1.7995087580     -2.5456932828      1.9410743118
 C      1.2218488462     -1.9692538583      2.8332020710
18
# ORCA AIMD Position Step 1398, t=1398.00 fs, E_Pot=-685.23954581 Hartree, Unit is Angstrom
 C      0.3689153309     -1.1320684883      3.4305502255
 C     -0.4907463258     -0.2984289849      3.5862275601
 C     -1.2791818966      0.8076185755      3.3966120542
 C     -1.7414340001      1.7677766482      2.7899552553
 C     -1.9658156073      2.4404140580      1.6367394880
 C     -1.9915498897      2.7746298931      0.4631974071
 C     -1.9617069307      2.7210115007     -0.9051577139
 C     -1.7689413699      2.4145487940     -2.0787163688
 C     -1.2629783138      1.7805180748     -3.1148941470
 C     -0.5465692222      0.9704955158     -3.6901502307
 C      0.1953170691     -0.1646149389     -3.8921438744
 C      0.9244698236     -1.0803739887     -3.5324542248
 C      1.4915027502     -2.0315559761     -2.7947188531
 C      1.8228645767     -2.7776678849     -1.8399003668
 C      2.0263772364     -3.0939486106     -0.5374825066
 C      2.0044797004     -3.0259411409      0.6946632515
 C      1.7977673387     -2.5545960684      1.9396286568
 C      1.2258979489     -1.9667074828      2.8327249882
18
# ORCA AIMD Position Step 1399, t=1399.00 fs, E_Pot=-685.23972311 Hartree, Unit is Angstrom
 C      0.3720136192     -1.1378362665      3.4323692326
 C     -0.5007319936     -0.3021305961      3.5813774057
 C     -1.2820303144      0.8013197640      3.3887716348
 C     -1.7457827744      1.7701782426      2.7955628015
 C     -1.9607483321      2.4422929318      1.6388363489
 C     -1.9922250902      2.7751331654      0.4655736283
 C     -1.9594105931      2.7281105424     -0.9002860111
 C     -1.7614315405      2.4197596154     -2.0820449938
 C     -1.2614539066      1.7845769976     -3.1195176736
 C     -0.5450182546      0.9738467434     -3.6813586055
 C      0.1932755189     -0.1571835574     -3.8921522977
 C      0.9256753849     -1.0784118439     -3.5299747069
 C      1.4869810213     -2.0313004989     -2.7909793251
 C      1.8232295155     -2.7769576915     -1.8453646712
 C      2.0275248369     -3.1060458640     -0.5400681841
 C      2.0023265827     -3.0274162151      0.6903933176
 C      1.7958819714     -2.5639370132      1.9378850143
 C      1.2300408682     -1.9643006875      2.8323158820
18
# ORCA AIMD Position Step 1400, t=1400.00 fs, E_Pot=-685.23988548 Hartree, Unit is Angstrom
 C      0.3746698229     -1.1432491156      3.4344223293
 C     -0.5109369343     -0.3050738191      3.5767765191
 C     -1.2846535540      0.7949811471      3.3806843459
 C     -1.7497738113      1.7718876591      2.8010815633
 C     -1.9558053583      2.4443996621      1.6409076982
 C     -1.9931292539      2.7754272845      0.4673835928
 C     -1.9569347682      2.7350408103     -0.8960399414
 C     -1.7546258017      2.4261195142     -2.0827181973
 C     -1.2591948344      1.7879111534     -3.1251562584
 C     -0.5433382052      0.9763835560     -3.6729845079
 C      0.1915916085     -0.1494735437     -3.8916029562
 C      0.9260018859     -1.0756513801     -3.5281330890
 C      1.4832833287     -2.0329178635     -2.7853862182
 C      1.8231716064     -2.7748516580     -1.8518342885
 C      2.0285414364     -3.1179298510     -0.5420836354
 C      2.0005286169     -3.0289180745      0.6849118101
 C      1.7937569702     -2.5735542348      1.9360192975
 C      1.2344232700     -1.9622439472      2.8317437421
18
# ORCA AIMD Position Step 1401, t=1401.00 fs, E_Pot=-685.23981323 Hartree, Unit is Angstrom
 C      0.3763424184     -1.1477861590      3.4368030365
 C     -0.5207287436     -0.3078852874      3.5723649795
 C     -1.2871517107      0.7887313691      3.3723852454
 C     -1.7534071010      1.7729453437      2.8063886142
 C     -1.9510133173      2.4466959315      1.6430370446
 C     -1.9942345805      2.7755400387      0.4686949093
 C     -1.9542053164      2.7416803823     -0.8928838693
 C     -1.7485573515      2.4336514343     -2.0804984301
 C     -1.2565485427      1.7909540496     -3.1314035731
 C     -0.5413348883      0.9779159938     -3.6652767996
 C      0.1906035971     -0.1419598009     -3.8903877690
 C      0.9252673025     -1.0718693665     -3.5269686754
 C      1.4802005045     -2.0359418085     -2.7785295170
 C      1.8228788366     -2.7718012368     -1.8585847790
 C      2.0293933656     -3.1295119906     -0.5439050013
 C      1.9990723404     -3.0304619940      0.6784224738
 C      1.7913037540     -2.5832863509      1.9341966531
 C      1.2391679834     -1.9607327415      2.8307866104
18
# ORCA AIMD Position Step 1402, t=1402.00 fs, E_Pot=-685.23943295 Hartree, Unit is Angstrom
 C      0.3766136032     -1.1510533460      3.4395565409
 C     -0.5295432805     -0.3111303150      3.5681039139
 C     -1.2896335617      0.7827051168      3.3639137214
 C     -1.7566881702      1.7734024306      2.8113673828
 C     -1.9464019855      2.4491647177      1.6452312102
 C     -1.9955118107      2.7754855501      0.4696488581
 C     -1.9511913078      2.7479757957     -0.8910304352
 C     -1.7431601784      2.4422423170     -2.0755199789
 C     -1.2538719486      1.7941589696     -3.1377925598
 C     -0.5388904555      0.9783561064     -3.6584217384
 C      0.1905998502     -0.1350657929     -3.8884480318
 C      0.9234127792     -1.0670183395     -3.5264244868
 C      1.4774185351     -2.0397021706     -2.7712121098
 C      1.8225969809     -2.7683830488     -1.8647642659
 C      2.0300567094     -3.1407178759     -0.5459438972
 C      1.9979384124     -3.0320532993      0.6712017153
 C      1.7884518421     -2.5929873555      1.9325474049
 C      1.2443403381     -1.9599109798      2.8292737509
18
# ORCA AIMD Position Step 1403, t=1403.00 fs, E_Pot=-685.23887121 Hartree, Unit is Angstrom
 C      0.3752603747     -1.1528478485      3.4426600118
 C     -0.5369599902     -0.3152338859      3.5639769776
 C     -1.2921964970      0.7770174402      3.3553159366
 C     -1.7596270987      1.7733137463      2.8159077904
 C     -1.9420048463      2.4518078734      1.6474402078
 C     -1.9969303763      2.7752674368      0.4704269430
 C     -1.9479062580      2.7539442346     -0.8904238128
 C     -1.7382871123      2.4516646066     -2.0682505250
 C     -1.2514758722      1.7979364713     -3.1438564662
 C     -0.5359923809      0.9777474338     -3.6525234037
 C      0.1917866655     -0.1291140280     -3.8857835877
 C      0.9205107526     -1.0612378595     -3.5263574322
 C      1.4745643303     -2.0434177127     -2.7643392049
 C      1.8225981981     -2.7652281379     -1.8694990423
 C      2.0305177449     -3.1514866577     -0.5485935072
 C      1.9971028772     -3.0336904537      0.6635669107
 C      1.7851634498     -2.6025468857      1.9311341431
 C      1.2499175750     -1.9598374361      2.8271265091
18
# ORCA AIMD Position Step 1404, t=1404.00 fs, E_Pot=-685.23833485 Hartree, Unit is Angstrom
 C      0.3722922641     -1.1531850217      3.4460167730
 C     -0.5427470211     -0.3204350611      3.5599880705
 C     -1.2949153644      0.7717406064      3.3466490347
 C     -1.7622379365      1.7727439245      2.8199079037
 C     -1.9378565497      2.4546393176      1.6495657426
 C     -1.9984579378      2.7748812260      0.4712250694
 C     -1.9444115150      2.7596703967     -0.8907307098
 C     -1.7337303580      2.4616090071     -2.0594393096
 C     -1.2495582001      1.8025692568     -3.1492039684
 C     -0.5327607605      0.9762933957     -3.6475793256
 C      0.1942489100     -0.1242730753     -3.8824620973
 C      0.9167685279     -1.0548517832     -3.5265503986
 C      1.4712738409     -2.0463331057     -2.7587636117
 C      1.8231270643     -2.7629061403     -1.8720577422
 C      2.0307765202     -3.1617768660     -0.5521613357
 C      1.9965383401     -3.0353705137      0.6558431761
 C      1.7814355366     -2.6118933682      1.9299462121
 C      1.2557810394     -1.9604758868      2.8243697711
18
# ORCA AIMD Position Step 1405, t=1405.00 fs, E_Pot=-685.23791485 Hartree, Unit is Angstrom
 C      0.3679567886     -1.1523009821      3.4494612656
 C     -0.5468862224     -0.3267528051      3.5561556769
 C     -1.2978243204      0.7668782879      3.3379884224
 C     -1.7645407750      1.7717689781      2.8232663756
 C     -1.9339927403      2.4576748940      1.6515056416
 C     -2.0000611602      2.7743246473      0.4722108797
 C     -1.9408067855      2.7652887244     -0.8913966638
 C     -1.7292499590      2.4717215152     -2.0500224681
 C     -1.2481861600      1.8081876232     -3.1535489498
 C     -0.5294314890      0.9743322403     -3.6434933678
 C      0.1979390055     -0.1205364430     -3.8786094744
 C      0.9125011713     -1.0483291480     -3.5267416964
 C      1.4672689557     -2.0478652408     -2.7551225234
 C      1.8243444524     -2.7618106569     -1.8719965970
 C      2.0308455188     -3.1715619885     -0.5568209091
 C      1.9962167453     -3.0370943924      0.6483246814
 C      1.7773011966     -2.6209979777      1.9288939762
 C      1.2617187447     -1.9616954272      2.8211350170
18
# ORCA AIMD Position Step 1406, t=1406.00 fs, E_Pot=-685.23740481 Hartree, Unit is Angstrom
 C      0.3627094137     -1.1506222936      3.4527795147
 C     -0.5495817740     -0.3339780067      3.5525094784
 C     -1.3009079577      0.7623592653      3.3294268421
 C     -1.7665575143      1.7704713073      2.8258866761
 C     -1.9304512529      2.4609260961      1.6531749688
 C     -2.0017065037      2.7736043677      0.4734988407
 C     -1.9372225992      2.7709666728     -0.8917130704
 C     -1.7246007517      2.4816436135     -2.0410144736
 C     -1.2472961785      1.8147586985     -3.1567337300
 C     -0.5263223948      0.9722998216     -3.6400965260
 C      0.2026639595     -0.1177048092     -3.8744078886
 C      0.9081147595     -1.0422495117     -3.5266474068
 C      1.4624298533     -2.0477491508     -2.7536751370
 C      1.8262660183     -2.7620357493     -1.8693096636
 C      2.0307509963     -3.1808357002     -0.5625722021
 C      1.9961098052     -3.0388696152      0.6412417071
 C      1.7728213248     -2.6298684873      1.9278271406
 C      1.2674640631     -1.9633012221      2.8176295176
18
# ORCA AIMD Position Step 1407, t=1407.00 fs, E_Pot=-685.23645808 Hartree, Unit is Angstrom
 C      0.3571794855     -1.1487298278      3.4557306973
 C     -0.5512379999     -0.3417032103      3.5490808390
 C     -1.3041062553      0.7580404665      3.3210720238
 C     -1.7683178587      1.7689507189      2.8276669755
 C     -1.9272633696      2.4643862743      1.6545443748
 C     -2.0033643509      2.7727418176      0.4751361604
 C     -1.9337916259      2.7768687442     -0.8909649439
 C     -1.7195629493      2.4910541146     -2.0333674137
 C     -1.2467211141      1.8221247934     -3.1587021173
 C     -0.5237858710      0.9706645932     -3.6371833726
 C      0.2081151614     -0.1154084779     -3.8700703423
 C      0.9040556682     -1.0372438060     -3.5259898540
 C      1.4568223954     -2.0460749540     -2.7542596955
 C      1.8287430779     -2.7633504859     -1.8644577380
 C      2.0305298114     -3.1896096039     -0.5692346368
 C      1.9961907151     -3.0407165575      0.6347402642
 C      1.7680748189     -2.6385376812      1.9265578460
 C      1.2727189328     -1.9650601807      2.8141072600
18
# ORCA AIMD Position Step 1408, t=1408.00 fs, E_Pot=-685.23497075 Hartree, Unit is Angstrom
 C      0.3520826752     -1.1472796911      3.4580805850
 C     -0.5523920175     -0.3493920190      3.5458968832
 C     -1.3073355617      0.7537355862      3.3130312366
 C     -1.7698515959      1.7673057113      2.8285093795
 C     -1.9244553631      2.4680312416      1.6556556732
 C     -2.0050082479      2.7717753955      0.4771177256
 C     -1.9306220108      2.7831245092     -0.8886034734
 C     -1.7139708350      2.4997215616     -2.0278048564
 C     -1.2462414726      1.8300550352     -3.1594847398
 C     -0.5221451656      0.9698625341     -3.6345438492
 C      0.2139226391     -0.1131874201     -3.8658098526
 C      0.9007458253     -1.0338918901     -3.5245340570
 C      1.4506735351     -2.0432436010     -2.7563642320
 C      1.8314942005     -2.7652587722     -1.8582775829
 C      2.0302263054     -3.1979184600     -0.5764611923
 C      1.9964334690     -3.0426652532      0.6288794735
 C      1.7631376752     -2.6470501936      1.9248910442
 C      1.2772063488     -1.9667490933      2.8108118195
18
# ORCA AIMD Position Step 1409, t=1409.00 fs, E_Pot=-685.23331181 Hartree, Unit is Angstrom
 C      0.3481242101     -1.1469131940      3.4596222814
 C     -0.5536215734     -0.3564798748      3.5429758599
 C     -1.3105060376      0.7492501365      3.3053989991
 C     -1.7711853205      1.7656254871      2.8283241173
 C     -1.9220449511      2.4718165465      1.6566245193
 C     -2.0066195026      2.7707604076      0.4793856204
 C     -1.9277650797      2.7897937870     -0.8843929308
 C     -1.7077408632      2.5075391793     -2.0246781240
 C     -1.2456277027      1.8383032420     -3.1591618621
 C     -0.5216480639      0.9702337525     -3.6319981330
 C      0.2197216273     -0.1105678173     -3.8618053908
 C      0.8985146905     -1.0326390218     -3.5221163678
 C      1.4443150591     -2.0398517117     -2.7592639866
 C      1.8341609878     -2.7671166787     -1.8518186134
 C      2.0298897876     -3.2058182515     -0.5837963929
 C      1.9968137067     -3.0447566822      0.6236471802
 C      1.7580675221     -2.6554394270      1.9226653659
 C      1.2807002573     -1.9681910496      2.8079365347
18
# ORCA AIMD Position Step 1410, t=1410.00 fs, E_Pot=-685.23212332 Hartree, Unit is Angstrom
 C      0.3458783009     -1.1481495892      3.4601975393
 C     -0.5554193617     -0.3624912481      3.5403228247
 C     -1.3135429911      0.7444232768      3.2982470394
 C     -1.7723350660      1.7639717603      2.8270397693
 C     -1.9200433845      2.4756812489      1.6576284484
 C     -2.0081860058      2.7697659995      0.4818481619
 C     -1.9252017974      2.7968505435     -0.8784883373
 C     -1.7008857230      2.5145354609     -2.0239045160
 C     -1.2446791019      1.8466514035     -3.1578370423
 C     -0.5224338035      0.9719847993     -3.6294193446
 C      0.2252276383     -0.1071725862     -3.8581678189
 C      0.8975285929     -1.0336954975     -3.5186782844
 C      1.4381178181     -2.0365615800     -2.7621838423
 C      1.8363801462     -2.7682739724     -1.8461424479
 C      2.0295690076     -3.2133737423     -0.5907472637
 C      1.9973077404     -3.0470370138      0.6189920463
 C      1.7528921425     -2.6637061926      1.9197802485
 C      1.2830495604     -1.9692880119      2.8055874429
18
# ORCA AIMD Position Step 1411, t=1411.00 fs, E_Pot=-685.23186159 Hartree, Unit is Angstrom
 C      0.3456761676     -1.1512856628      3.4597100107
 C     -0.5580724038     -0.3671452480      3.5379278248
 C     -1.3164021014      0.7391655729      3.2916225353
 C     -1.7732986741      1.7623639143      2.8246152128
 C     -1.9184592894      2.4795521102      1.6588820492
 C     -2.0097002482      2.7688709355      0.4843956771
 C     -1.9228475222      2.8041842549     -0.8714140625
 C     -1.6935149967      2.5208541050     -2.0250031315
 C     -1.2432500662      1.8549338416     -3.1556172064
 C     -0.5245165757      0.9751685315     -3.6267475501
 C      0.2302874247     -0.1028080817     -3.8549190999
 C      0.8977467414     -1.0369684750     -3.5142904144
 C      1.4324384825     -2.0339986554     -2.7644254687
 C      1.8378426938     -2.7681892028     -1.8421504126
 C      2.0293069072     -3.2206398973     -0.5968646735
 C      1.9978910739     -3.0495485937      0.6148600291
 C      1.7476084171     -2.6717984629      1.9162171858
 C      1.2841897254     -1.9700391278      2.8037636248
18
# ORCA AIMD Position Step 1412, t=1412.00 fs, E_Pot=-685.23246883 Hartree, Unit is Angstrom
 C      0.3475251550     -1.1563257691      3.4581372333
 C     -0.5615790626     -0.3704266280      3.5357668357
 C     -1.3190778605      0.7334863851      3.2855461900
 C     -1.7740516214      1.7607691178      2.8210546759
 C     -1.9173010898      2.4833499223      1.6605998428
 C     -2.0111562062      2.7681570384      0.4869176689
 C     -1.9205727033      2.8116207986     -0.8639539482
 C     -1.6858188127      2.5267157622     -2.0272093468
 C     -1.2412645682      1.8630472139     -3.1526038232
 C     -0.5277817493      0.9796788145     -3.6239932313
 C      0.2348933387     -0.0975077042     -3.8519886523
 C      0.8989152647     -1.0420442171     -3.5091560803
 C      1.4275798438     -2.0326750290     -2.7654583236
 C      1.8383374790     -2.7665136400     -1.8404472538
 C      2.0291350515     -3.2276419916     -0.6018204719
 C      1.9985368169     -3.0523217699      0.6112180353
 C      1.7421891518     -2.6796046454      1.9120482081
 C      1.2841475279     -1.9705444189      2.8023534729
18
# ORCA AIMD Position Step 1413, t=1413.00 fs, E_Pot=-685.23343419 Hartree, Unit is Angstrom
 C      0.3511010165     -1.1629770109      3.4555320383
 C     -0.5656448024     -0.3725880480      3.5338013149
 C     -1.3216011273      0.7274869204      3.2800133342
 C     -1.7745493620      1.7590991639      2.8164186222
 C     -1.9165783218      2.4870059953      1.6629516330
 C     -2.0125469696      2.7677005556      0.4893134353
 C     -1.9182318296      2.8189602521     -0.8569778033
 C     -1.6780337995      2.5323753719     -2.0296353930
 C     -1.2387168969      1.8709548141     -3.1488870529
 C     -0.5319978143      0.9852631290     -3.6212314144
 C      0.2391608625     -0.0915076989     -3.8492252087
 C      0.9006076152     -1.0482396617     -3.5035898865
 C      1.4237559147     -2.0329325725     -2.7649766751
 C      1.8377827198     -2.7631496362     -1.8412459182
 C      2.0290676497     -3.2343609470     -0.6054710432
 C      1.9992140987     -3.0553715527      0.6080664869
 C      1.7365936821     -2.6869675896      1.9074201521
 C      1.2830329673     -1.9709923721      2.8011500952
18
# ORCA AIMD Position Step 1414, t=1414.00 fs, E_Pot=-685.23413082 Hartree, Unit is Angstrom
 C      0.3558211067     -1.1707187343      3.4520133494
 C     -0.5697595018     -0.3740873576      3.5319813425
 C     -1.3240330975      0.7213380408      3.2749919559
 C     -1.7747337513      1.7572185248      2.8108183199
 C     -1.9163018237      2.4904753048      1.6660297385
 C     -2.0138634368      2.7675642936      0.4915094050
 C     -1.9156910828      2.8260198160     -0.8512689093
 C     -1.6703986532      2.5380829485     -2.0314348643
 C     -1.2356591515      1.8786854037     -3.1445393640
 C     -0.5368501019      0.9915646946     -3.6185848592
 C      0.2432809885     -0.0851737254     -3.8464247820
 C      0.9023095716     -1.0547301476     -3.4979589727
 C      1.4210584977     -2.0348928593     -2.7629409358
 C      1.8362376910     -2.7582684861     -1.8443355834
 C      2.0291002719     -3.2407346522     -0.6078791789
 C      1.9998898913     -3.0587004060      0.6054301965
 C      1.7307761149     -2.6937137519      1.9025278617
 C      1.2810221049     -1.9716349910      2.7998812074
18
# ORCA AIMD Position Step 1415, t=1415.00 fs, E_Pot=-685.23414503 Hartree, Unit is Angstrom
 C      0.3609653720     -1.1789118453      3.4477469305
 C     -0.5733184768     -0.3754797977      3.5302500557
 C     -1.3264496204      0.7152409640      3.2704293357
 C     -1.7745406707      1.7549551868      2.8044109134
 C     -1.9164850822      2.4937513416      1.6698163244
 C     -2.0150931195      2.7677926789      0.4934697724
 C     -1.9128456728      2.8326632081     -0.8473974564
 C     -1.6631187055      2.5440559156     -2.0319203141
 C     -1.2321758321      1.8863141747     -3.1396183248
 C     -0.5419890677      0.9981794816     -3.6161984868
 C      0.2474630956     -0.0789103076     -3.8433658401
 C      0.9035092589     -1.0606897037     -3.4926203072
 C      1.4194382662     -2.0384303498     -2.7595953305
 C      1.8338981336     -2.7522959254     -1.8491131339
 C      2.0292138009     -3.2466684762     -0.6092760951
 C      2.0005308693     -3.0623035770      0.6033398507
 C      1.7246946780     -2.6996832432      1.8975788766
 C      1.2783300825     -1.9727544678      2.7982469665
18
# ORCA AIMD Position Step 1416, t=1416.00 fs, E_Pot=-685.23345303 Hartree, Unit is Angstrom
 C      0.3658009017     -1.1869097013      3.4429222134
 C     -0.5757411439     -0.3773055347      3.5285476874
 C     -1.3289223635      0.7093860606      3.2662652562
 C     -1.7739065858      1.7521149928      2.7973870883
 C     -1.9171481329      2.4968747202      1.6741693925
 C     -2.0162191262      2.7684102262      0.4951980781
 C     -1.9096353074      2.8388140708     -0.8456515760
 C     -1.6563435609      2.5504582789     -2.0306352967
 C     -1.2283542009      1.8939322179     -3.1341711502
 C     -0.5470746715      1.0047171444     -3.6142127570
 C      0.2518849515     -0.0730806453     -3.8398402401
 C      0.9037741855     -1.0654129088     -3.4878659792
 C      1.4186992785     -2.0431714206     -2.7554611333
 C      1.8310791719     -2.7458664957     -1.8546667606
 C      2.0293795769     -3.2520511016     -0.6099857876
 C      2.0011059227     -3.0661751437      0.6018108075
 C      1.7183207106     -2.7047541828      1.8927608197
 C      1.2751812799     -1.9746272070      2.7959615092
18
# ORCA AIMD Position Step 1417, t=1417.00 fs, E_Pot=-685.23242787 Hartree, Unit is Angstrom
 C      0.3696857263     -1.1941491328      3.4377277191
 C     -0.5765638265     -0.3799964411      3.5268145366
 C     -1.3314989955      0.7039141404      3.2624468937
 C     -1.7727750123      1.7484998206      2.7899575581
 C     -1.9183191178      2.4999316660      1.6788297181
 C     -2.0172184849      2.7694241278      0.4967321217
 C     -1.9060521060      2.8444607929     -0.8460098408
 C     -1.6501544887      2.5573854422     -2.0273931908
 C     -1.2242586256      1.9016132304     -3.1282445709
 C     -0.5518134231      1.0108497774     -3.6127390610
 C      0.2566532398     -0.0679451944     -3.8356795052
 C      0.9028027418     -1.0683972228     -3.4838883204
 C      1.4185186389     -2.0485316945     -2.7512864460
 C      1.8281800556     -2.7397504320     -1.8599009759
 C      2.0295668852     -3.2567722110     -0.6103408032
 C      2.0015878469     -3.0703115362      0.6008308278
 C      1.7116484618     -2.7088594571      1.8882108630
 C      1.2717772032     -1.9774879833      2.7927925847
18
# ORCA AIMD Position Step 1418, t=1418.00 fs, E_Pot=-685.23174432 Hartree, Unit is Angstrom
 C      0.3721305773     -1.2002012663      3.4323319000
 C     -0.5754923643     -0.3838258721      3.5249969251
 C     -1.3341895676      0.6988982428      3.2589370984
 C     -1.7711011805      1.7439218382      2.7823431735
 C     -1.9200309976      2.5030439965      1.6834456063
 C     -2.0180647788      2.7708296685      0.4981312486
 C     -1.9021405578      2.8496510359     -0.8481531411
 C     -1.6445654783      2.5648609495     -2.0222760306
 C     -1.2199081136      1.9093790303     -3.1219019589
 C     -0.5559913010      1.0163529049     -3.6118416618
 C      0.2617888408     -0.0636356632     -3.8307725190
 C      0.9004421891     -1.0693769592     -3.4807703736
 C      1.4185023068     -2.0538077241     -2.7479333504
 C      1.8256240183     -2.7347454142     -1.8637025934
 C      2.0297510429     -3.2607337097     -0.6106056194
 C      2.0019547586     -3.0747193270      0.6003394530
 C      1.7047014466     -2.7119895128      1.8840066530
 C      1.2682741141     -1.9815054102      2.7885901512
18
# ORCA AIMD Position Step 1419, t=1419.00 fs, E_Pot=-685.23205396 Hartree, Unit is Angstrom
 C      0.3728486539     -1.2048114117      3.4268647753
 C     -0.5724336584     -0.3888729473      3.5230499896
 C     -1.3369532183      0.6943252169      3.2557275108
 C     -1.7688611169      1.7382329118      2.7747548244
 C     -1.9223164002      2.5063476455      1.6876200605
 C     -2.0187296316      2.7726158938      0.4994576041
 C     -1.8980023683      2.8544856534     -0.8514855773
 C     -1.6395242405      2.5728253635     -2.0156403366
 C     -1.2152733274      1.9171807390     -3.1152314179
 C     -0.5594760562      1.0211140814     -3.6115268450
 C      0.2672029001     -0.0601241355     -3.8250809845
 C      0.8966968326     -1.0683327030     -3.4784907266
 C      1.4182651551     -2.0583187167     -2.7462098420
 C      1.8237849186     -2.7315381313     -1.8651353651
 C      2.0299158742     -3.2638612246     -0.6109329169
 C      2.0021911190     -3.0794115770      0.6002354150
 C      1.6975444134     -2.7142009954      1.8801461437
 C      1.2647557913     -1.9867458839      2.7833236667
18
# ORCA AIMD Position Step 1420, t=1420.00 fs, E_Pot=-685.23353241 Hartree, Unit is Angstrom
 C      0.3717914381     -1.2079272852      3.4214043363
 C     -0.5675162703     -0.3950029985      3.5209423706
 C     -1.3396920430      0.6900888369      3.2528461240
 C     -1.7660618278      1.7313608802      2.7673659548
 C     -1.9251968132      2.5099610025      1.6909804692
 C     -2.0191868743      2.7747703601      0.5007570180
 C     -1.8937962627      2.8591106642     -0.8551816113
 C     -1.6349189771      2.5811330547     -2.0081014037
 C     -1.2102856842      1.9248937338     -3.1083495121
 C     -0.5622130546      1.0251294905     -3.6117415090
 C      0.2726895697     -0.0572128892     -3.8186503006
 C      0.8917262342     -1.0654851464     -3.4769369392
 C      1.4175306154     -2.0615704840     -2.7466672655
 C      1.8228974180     -2.7305513915     -1.8636527700
 C      2.0300562732     -3.2661107669     -0.6113443995
 C      2.0022864285     -3.0844023483      0.6003940643
 C      1.6902935110     -2.7156212470      1.8765340692
 C      1.2612151088     -1.9931455548      2.7771092238
18
# ORCA AIMD Position Step 1421, t=1421.00 fs, E_Pot=-685.23557646 Hartree, Unit is Angstrom
 C      0.3691690768     -1.2097217999      3.4159696948
 C     -0.5610997511     -0.4018679295      3.5186622495
 C     -1.3422572203      0.6859981557      3.2503548926
 C     -1.7627471866      1.7233368908      2.7602858714
 C     -1.9286758089      2.5139579606      1.6932382701
 C     -2.0194155879      2.7772826726      0.5020427789
 C     -1.8897233815      2.8637025305     -0.8582733410
 C     -1.6305928030      2.5895732115     -2.0004557481
 C     -1.2048510433      1.9323322559     -3.1014025160
 C     -0.5642089034      1.0284834831     -3.6123783351
 C      0.2779303631     -0.0545317957     -3.8116116519
 C      0.8858269671     -1.0612651174     -3.4759240783
 C      1.4162185041     -2.0634061449     -2.7494177241
 C      1.8229796539     -2.7318144271     -1.8592665034
 C      2.0301795505     -3.2674817987     -0.6117429752
 C      2.0022356483     -3.0897012263      0.6006821464
 C      1.6831147838     -2.7164544173      1.8729807833
 C      1.2575510696     -2.0004981661      2.7702169226
18
# ORCA AIMD Position Step 1422, t=1422.00 fs, E_Pot=-685.23714803 Hartree, Unit is Angstrom
 C      0.3654405644     -1.2105906503      3.4105155168
 C     -0.5537508271     -0.4089351229      3.5162213389
 C     -1.3444655383      0.6817901521      3.2483407636
 C     -1.7589994574      1.7143072352      2.7535271265
 C     -1.9327341358      2.5183443121      1.6942568073
 C     -2.0194065836      2.7801526698      0.5032863304
 C     -1.8859929336      2.8684462281     -0.8598019894
 C     -1.6263673951      2.5979134170     -1.9935482543
 C     -1.1988647763      1.9392864692     -3.0945453082
 C     -0.5655161183      1.0313264659     -3.6132940016
 C      0.2825342970     -0.0515767445     -3.8041593526
 C      0.8793911713     -1.0562596545     -3.4752190360
 C      1.4144608021     -2.0640351691     -2.7540987455
 C      1.8238226922     -2.7349517138     -1.8525665581
 C      2.0303049110     -3.2680223520     -0.6119416804
 C      2.0020389793     -3.0953148874      0.6009871954
 C      1.6762060380     -2.7169677759      1.8692141721
 C      1.2535779075     -2.0084809834      2.7630407576
18
# ORCA AIMD Position Step 1423, t=1423.00 fs, E_Pot=-685.23760190 Hartree, Unit is Angstrom
 C      0.3612533667     -1.2111062611      3.4049421147
 C     -0.5461815833     -0.4155487334      3.5136559808
 C     -1.3461236385      0.6771639134      3.2469017461
 C     -1.7549311469      1.7045189567      2.7469960122
 C     -1.9373316027      2.5230480368      1.6940821203
 C     -2.0191640141      2.7833951108      0.5044202963
 C     -1.8827792244      2.8735017553     -0.8590064340
 C     -1.6220813298      2.6059554606     -1.9880905481
 C     -1.1922283327      1.9455609730     -3.0879212052
 C     -0.5662112860      1.0338429009     -3.6143332720
 C      0.2860960371     -0.0477840840     -3.7965156310
 C      0.8728469437     -1.0511245246     -3.4745721269
 C      1.4125464177     -2.0639440038     -2.7599936494
 C      1.8250524952     -2.7392927525     -1.8445704863
 C      2.0304617354     -3.2678248486     -0.6117119454
 C      2.0017007143     -3.1012484752      0.6012409722
 C      1.6697702993     -2.7174601848      1.8649188091
 C      1.2490583988     -2.0167111156      2.7560354432
18
# ORCA AIMD Position Step 1424, t=1424.00 fs, E_Pot=-685.23721265 Hartree, Unit is Angstrom
 C      0.3573382380     -1.2119278594      3.3991229136
 C     -0.5391541279     -0.4210194350      3.5110226896
 C     -1.3470561130      0.6718307681      3.2461293411
 C     -1.7506720964      1.6942851414      2.7405121831
 C     -1.9424101581      2.5279217086      1.6929355163
 C     -2.0187049641      2.7870405622      0.5053523942
 C     -1.8801804759      2.8789686661     -0.8554964163
 C     -1.6176314833      2.6135826066     -1.9844913380
 C     -1.1848658997      1.9510054558     -3.0816476265
 C     -0.5663753792      1.0362202135     -3.6153522135
 C      0.2882656658     -0.0426410775     -3.7888912276
 C      0.8665899181     -1.0464773931     -3.4737534949
 C      1.4108270900     -2.0637371004     -2.7662350364
 C      1.8262303887     -2.7440471827     -1.8364808614
 C      2.0306861030     -3.2670130984     -0.6108432392
 C      2.0012280790     -3.1075042895      0.6014338356
 C      1.6639865015     -2.7182152044      1.8597995373
 C      1.2437546443     -2.0248178970      2.7496352160
18
# ORCA AIMD Position Step 1425, t=1425.00 fs, E_Pot=-685.23691519 Hartree, Unit is Angstrom
 C      0.3543678460     -1.2136757601      3.3929425348
 C     -0.5333547355     -0.4247407435      3.5083892888
 C     -1.3471334939      0.6655756273      3.2460867203
 C     -1.7463522223      1.6839338381      2.7338524252
 C     -1.9478981082      2.5327589742      1.6911729804
 C     -2.0180581945      2.7911300495      0.5059886625
 C     -1.8781958634      2.8848643042     -0.8493530756
 C     -1.6130017358      2.6207795833     -1.9827594647
 C     -1.1767418987      1.9555360958     -3.0758063009
 C     -0.5660795575      1.0386260571     -3.6162342264
 C      0.2888213050     -0.0358097585     -3.7814512695
 C      0.8609179557     -1.0427879047     -3.4725883259
 C      1.4096302897     -2.0639877861     -2.7719957476
 C      1.8269459263     -2.7484683024     -1.8294459182
 C      2.0310154486     -3.2657227420     -0.6092043024
 C      2.0006318667     -3.1140784103      0.6016142831
 C      1.6589818936     -2.7194509520      1.8536573325
 C      1.2374861260     -2.0325148131      2.7441707580
18
# ORCA AIMD Position Step 1426, t=1426.00 fs, E_Pot=-685.23751388 Hartree, Unit is Angstrom
 C      0.3528094771     -1.2167928766      3.3863344120
 C     -0.5292564935     -0.4263163752      3.5058232655
 C     -1.3462983180      0.6583174785      3.2467853348
 C     -1.7420870411      1.6737612768      2.7267981891
 C     -1.9537110181      2.5373126040      1.6892304071
 C     -2.0172632976      2.7957047249      0.5062706666
 C     -1.8767262655      2.8911224993     -0.8411253122
 C     -1.6082650475      2.6276210983     -1.9825241635
 C     -1.1678774676      1.9591494523     -3.0704294478
 C     -0.5653804406      1.0411940658     -3.6169027134
 C      0.2877221205     -0.0272296640     -3.7742908877
 C      0.8559909836     -1.0403027507     -3.4709793408
 C      1.4091981837     -2.0651261269     -2.7766227271
 C      1.8268796300     -2.7519689090     -1.8243838747
 C      2.0314820833     -3.2640773325     -0.6067972909
 C      1.9999276994     -3.1209602311      0.6018828571
 C      1.6548098639     -2.7212735959      1.8464574625
 C      1.2301787139     -2.0396566164      2.7398029984
18
# ORCA AIMD Position Step 1427, t=1427.00 fs, E_Pot=-685.23901169 Hartree, Unit is Angstrom
 C      0.3528006519     -1.2214258762      3.3793138437
 C     -0.5270006443     -0.4256724056      3.5033780635
 C     -1.3445892373      0.6501572300      3.2481657373
 C     -1.7379645134      1.6639864062      2.7191853818
 C     -1.9597559115      2.5413202886      1.6875606724
 C     -2.0163668098      2.8007956504      0.5061993467
 C     -1.8755984817      2.8976150705     -0.8317200680
 C     -1.6035586665      2.6342348683     -1.9831460743
 C     -1.1583672714      1.9619381736     -3.0654883253
 C     -0.5643185212      1.0440139300     -3.6173277179
 C      0.2851363929     -0.0171786577     -3.7674296573
 C      0.8518144004     -1.0390036893     -3.4689146840
 C      1.4096529446     -2.0673780298     -2.7797136549
 C      1.8258426044     -2.7541903150     -1.8218588629
 C      2.0321063788     -3.2621712202     -0.6037958353
 C      1.9991375484     -3.1281292292      0.6023686539
 C      1.6514370209     -2.7236565937      1.8383721604
 C      1.2218981283     -2.0462674174      2.7364854858
18
# ORCA AIMD Position Step 1428, t=1428.00 fs, E_Pot=-685.24058788 Hartree, Unit is Angstrom
 C      0.3541059907     -1.2273773728      3.3719945455
 C     -0.5263537110     -0.4231043308      3.5010842081
 C     -1.3421489935      0.6413890529      3.2500886265
 C     -1.7340365428      1.6547231144      2.7109295480
 C     -1.9659371792      2.5445345022      1.6865643754
 C     -2.0154198470      2.8064137583      0.5058626093
 C     -1.8746033580      2.9041897092     -0.8222178087
 C     -1.5990413953      2.6407564570     -1.9838926459
 C     -1.1483772598      1.9640928192     -3.0608830009
 C     -0.5629254057      1.0471376855     -3.6175230967
 C      0.2814231792     -0.0062450842     -3.7608227418
 C      0.8482611822     -1.0386406673     -3.4664523444
 C      1.4109853960     -2.0707434125     -2.7811440590
 C      1.8237886814     -2.7550258123     -1.8220295825
 C      2.0328916577     -3.2600572303     -0.6005425253
 C      1.9982901849     -3.1355610496      0.6031968380
 C      1.6487479355     -2.7264529496      1.8297682336
 C      1.2128487470     -2.0525334998      2.7339734613
18
# ORCA AIMD Position Step 1429, t=1429.00 fs, E_Pot=-685.24120175 Hartree, Unit is Angstrom
 C      0.3561828239     -1.2341619287      3.3645702370
 C     -0.5267644796     -0.4192240144      3.4989477030
 C     -1.3392141509      0.6324716888      3.2523467530
 C     -1.7303178521      1.6459747293      2.7020283714
 C     -1.9721669294      2.5467496685      1.6865332286
 C     -2.0144735893      2.8125473718      0.5054423094
 C     -1.8735359071      2.9107095891     -0.8136718902
 C     -1.5948470844      2.6472907012     -1.9841076302
 C     -1.1381296459      1.9658943810     -3.0564388872
 C     -0.5612302168      1.0505900649     -3.6175394159
 C      0.2770770523      0.0047645353     -3.7543799579
 C      0.8451178475     -1.0388112564     -3.4636896415
 C      1.4130562294     -2.0749984493     -2.7810716697
 C      1.8208106058     -2.7546153852     -1.8246530412
 C      2.0338247506     -3.2577432157     -0.5974983156
 C      1.9974211684     -3.1432374035      0.6044508094
 C      1.6465660067     -2.7294383891      1.8211447071
 C      1.2033347376     -2.0587613010      2.7318803697
18
# ORCA AIMD Position Step 1430, t=1430.00 fs, E_Pot=-685.24035913 Hartree, Unit is Angstrom
 C      0.3583280822     -1.2411344478      3.3572793472
 C     -0.5275022794     -0.4148301427      3.4969609289
 C     -1.3360856850      0.6239638901      3.2546907653
 C     -1.7267947760      1.6376555748      2.6925479448
 C     -1.9783727125      2.5478194421      1.6876119103
 C     -2.0135729678      2.8191655357      0.5051943193
 C     -1.8722271575      2.9170780466     -0.8069438266
 C     -1.5910561118      2.6538930668     -1.9833205499
 C     -1.1278730101      1.9676807688     -3.0519259924
 C     -0.5592645614      1.0543875791     -3.6174497188
 C      0.2726448197      0.0149691833     -3.7479952054
 C      0.8421475177     -1.0390752617     -3.4607268518
 C      1.4156111662     -2.0797265405     -2.7799067552
 C      1.8171189916     -2.7533073150     -1.8291505487
 C      2.0348796764     -3.2551996507     -0.5951540299
 C      1.9965713155     -3.1511559550      0.6061360776
 C      1.6446881402     -2.7323656924      1.8130468165
 C      1.1937008198     -2.0653135908      2.7297589268
18
# ORCA AIMD Position Step 1431, t=1431.00 fs, E_Pot=-685.23844016 Hartree, Unit is Angstrom
 C      0.3598382919     -1.2476392883      3.3503632626
 C     -0.5278167147     -0.4107496016      3.4951149741
 C     -1.3330886576      0.6164478928      3.2568584749
 C     -1.7234349567      1.6296221906      2.6826078502
 C     -1.9844994885      2.5476662377      1.6897837653
 C     -2.0127556876      2.8262242892      0.5054085327
 C     -1.8705632765      2.9232482834     -0.8025960973
 C     -1.5876852733      2.6605676772     -1.9812928622
 C     -1.1178510983      1.9698027783     -3.0470912434
 C     -0.5570623093      1.0585482963     -3.6173337919
 C      0.2686443047      0.0235367418     -3.7415681573
 C      0.8391409677     -1.0390409667     -3.4576440607
 C      1.4183146460     -2.0843701185     -2.7782506271
 C      1.8130068388     -2.7515951331     -1.8347167885
 C      2.0360215575     -3.2523751687     -0.5939350154
 C      1.9957873860     -3.1593349940      0.6081507893
 C      1.6429224316     -2.7350217356      1.8059745762
 C      1.1842693716     -2.0725349167      2.7271973958
18
# ORCA AIMD Position Step 1432, t=1432.00 fs, E_Pot=-685.23650920 Hartree, Unit is Angstrom
 C      0.3601388659     -1.2531355669      3.3440259881
 C     -0.5270630764     -0.4077046841      3.4934041095
 C     -1.3305287790      0.6104494476      3.2586110497
 C     -1.7202010678      1.6217082879      2.6723593318
 C     -1.9905112129      2.5462865752      1.6928793520
 C     -2.0120486671      2.8336679604      0.5063718208
 C     -1.8684947894      2.9292248355     -0.8008486867
 C     -1.5846885400      2.6672687179     -1.9780232306
 C     -1.1082722382      1.9725777218     -3.0416974543
 C     -0.5546648655      1.0631077203     -3.6172547105
 C      0.2655000414      0.0297869339     -3.7350245721
 C      0.8359517740     -1.0384286707     -3.4544874498
 C      1.4207942026     -2.0883038440     -2.7768126549
 C      1.8088071254     -2.7500386835     -1.8404528189
 C      2.0372111266     -3.2492158827     -0.5941116409
 C      1.9951197157     -3.1678090015      0.6102728052
 C      1.6411168283     -2.7372662467      1.8003154702
 C      1.1752854043     -2.0806834900      2.7238939328
18
# ORCA AIMD Position Step 1433, t=1433.00 fs, E_Pot=-685.23574198 Hartree, Unit is Angstrom
 C      0.3588659258     -1.2572737885      3.3384058365
 C     -0.5247986275     -0.4062135720      3.4918326988
 C     -1.3286429539      0.6063707449      3.2597576708
 C     -1.7170637473      1.6137534537      2.6619791533
 C     -1.9963872903      2.5437503149      1.6965947944
 C     -2.0114668787      2.8414321219      0.5083210224
 C     -1.8660403942      2.9350539677     -0.8015675289
 C     -1.5819728080      2.6739140897     -1.9737177514
 C     -1.0992864273      1.9762375257     -3.0355701055
 C     -0.5521132758      1.0681141480     -3.6172443376
 C      0.2634953103      0.0332713330     -3.7283267584
 C      0.8325147859     -1.0371026834     -3.4512693567
 C      1.4226916615     -2.0909324830     -2.7762882804
 C      1.8048394615     -2.7491696753     -1.8455214870
 C      2.0384121608     -3.2456795121     -0.5957470335
 C      1.9946172170     -3.1766178501      0.6121742453
 C      1.6391866945     -2.7390546139      1.7962940879
 C      1.1668795497     -2.0898831013      2.7197101055
18
# ORCA AIMD Position Step 1434, t=1434.00 fs, E_Pot=-685.23670789 Hartree, Unit is Angstrom
 C      0.3559079659     -1.2599404051      3.3335603382
 C     -0.5208431910     -0.4065191726      3.4904118283
 C     -1.3275615919      0.6044321027      3.2601785943
 C     -1.7140107415      1.6056325906      2.6516653941
 C     -2.0021150052      2.5401996995      1.7005239109
 C     -2.0110150315      2.8494392804      0.5114078226
 C     -1.8632856388      2.9408133808     -0.8042881167
 C     -1.5794140545      2.6803931120     -1.9687534705
 C     -1.0909738687      1.9808910016     -3.0286362235
 C     -0.5494424141      1.0736151834     -3.6172923243
 C      0.2627350690      0.0338263401     -3.7214845429
 C      0.8288560296     -1.0350857090     -3.4479755124
 C      1.4237287371     -2.0918004740     -2.7772133692
 C      1.8013534998     -2.7493853454     -1.8493090083
 C      2.0395929189     -3.2417540610     -0.5986876598
 C      1.9943247553     -3.1857859541      0.6134641680
 C      1.6371295594     -2.7404494891      1.7939425039
 C      1.1590553279     -2.1000853602      2.7147040091
18
# ORCA AIMD Position Step 1435, t=1435.00 fs, E_Pot=-685.23895074 Hartree, Unit is Angstrom
 C      0.3514248341     -1.2612787015      3.3294610932
 C     -0.5153186598     -0.4085453989      3.4891607586
 C     -1.3272800056      0.6046250567      3.2598429313
 C     -1.7110551519      1.5972843875      2.6416207794
 C     -2.0076847036      2.5358383325      1.7042063074
 C     -2.0106883352      2.8575999702      0.5156737313
 C     -1.8603759802      2.9466020235     -0.8082697365
 C     -1.5768736328      2.6865801547     -1.9636302458
 C     -1.0833413644      1.9865040982     -3.0209464708
 C     -0.5466708469      1.0796390467     -3.6173427983
 C      0.2631239907      0.0316146867     -3.7145615325
 C      0.8250945117     -1.0325638121     -3.4445718441
 C      1.4237645614     -2.0906948845     -2.7798302953
 C      1.7984780855     -2.7508539198     -1.8515616913
 C      2.0407284033     -3.2374698693     -0.6025933047
 C      1.9942740620     -3.1953019281      0.6137579951
 C      1.6350336947     -2.7416243347      1.7930805892
 C      1.1516918316     -2.1110622715      2.7091330463
18
# ORCA AIMD Position Step 1436, t=1436.00 fs, E_Pot=-685.24119443 Hartree, Unit is Angstrom
 C      0.3458305967     -1.2616847805      3.3259930779
 C     -0.5086472896     -0.4118905764      3.4881085084
 C     -1.3276477828      0.6066937760      3.2588226190
 C     -1.7082403647      1.5887338218      2.6320139810
 C     -2.0130915962      2.5309030962      1.7071932962
 C     -2.0104759850      2.8658263627      0.5210399009
 C     -1.8574970350      2.9525337729     -0.8125948352
 C     -1.5742135651      2.6923582453     -1.9588968017
 C     -1.0763210087      1.9929095733     -3.0126690115
 C     -0.5437907266      1.0861822271     -3.6173006687
 C      0.2643662322      0.0271317087     -3.7076688094
 C      0.8214314979     -1.0298732440     -3.4410087281
 C      1.4228271169     -2.0877052207     -2.7840184875
 C      1.7961944201     -2.7534698203     -1.8524497853
 C      2.0418050513     -3.2329000018     -0.6070059388
 C      1.9944766927     -3.2051138031      0.6127580760
 C      1.6330714920     -2.7428526439      1.7933221488
 C      1.1445584802     -2.1224403027      2.7034193074
18
# ORCA AIMD Position Step 1437, t=1437.00 fs, E_Pot=-685.24213127 Hartree, Unit is Angstrom
 C      0.3397355330     -1.2617641711      3.3229750022
 C     -0.5014944952     -0.4158794310      3.4872952098
 C     -1.3283884169      0.6101612115      3.2572898730
 C     -1.7056442336      1.5801045770      2.6229353801
 C     -2.0183379885      2.5256244457      1.7091186723
 C     -2.0103642703      2.8740508131      0.5273149727
 C     -1.8548429050      2.9587284490     -0.8163126074
 C     -1.5713169852      2.6976469016     -1.9550511654
 C     -1.0697790986      1.9998456238     -3.0040593255
 C     -0.5407627953      1.0932045637     -3.6170465614
 C      0.2660047595      0.0211522846     -3.7009506907
 C      0.8181242490     -1.0274627942     -3.4372248722
 C      1.4211012003     -2.0832042934     -2.7893266110
 C      1.7943463433     -2.7568850775     -1.8525187104
 C      2.0428225955     -3.2281460043     -0.6114462897
 C      1.9949218525     -3.2151379247      0.6103161499
 C      1.6314749641     -2.7444770201      1.7941270019
 C      1.1373519192     -2.1337729804      2.6980746054
18
# ORCA AIMD Position Step 1438, t=1438.00 fs, E_Pot=-685.24133147 Hartree, Unit is Angstrom
 C      0.3338463858     -1.2622412412      3.3201905621
 C     -0.4946639031     -0.4196749205      3.4867749332
 C     -1.3291460152      0.6144009481      3.2554984104
 C     -1.7033836697      1.5716205494      2.6143713780
 C     -2.0234284931      2.5201899116      1.7097554549
 C     -2.0103369684      2.8822400206      0.5342127487
 C     -1.8525797530      2.9652904519     -0.8185973001
 C     -1.5681140956      2.7024265525     -1.9524329381
 C     -1.0635343898      2.0070061693     -2.9954204540
 C     -0.5375203501      1.1006299958     -3.6164550701
 C      0.2674943993      0.0146164866     -3.6945648611
 C      0.8154417307     -1.0258247637     -3.4331612449
 C      1.4188791508     -2.0777605446     -2.7950927945
 C      1.7926928244     -2.7606043681     -1.8525385136
 C      2.0437944760     -3.2233211351     -0.6155111161
 C      1.9955770160     -3.2252720889      0.6064622501
 C      1.6304925931     -2.7468542161      1.7948991790
 C      1.1297593345     -2.1446324885      2.6935979035
18
# ORCA AIMD Position Step 1439, t=1439.00 fs, E_Pot=-685.23957077 Hartree, Unit is Angstrom
 C      0.3288293622     -1.2638205415      3.3174357897
 C     -0.4889458030     -0.4224366994      3.4866076448
 C     -1.3295388021      0.6187301669      3.2537493734
 C     -1.7016028613      1.5635827903      2.6062156541
 C     -2.0283697644      2.5147178986      1.7090333171
 C     -2.0103810180      2.8904014674      0.5413721280
 C     -1.8508155126      2.9722891063     -0.8188802978
 C     -1.5646022825      2.7067570830     -1.9511289056
 C     -1.0573885086      2.0140835638     -2.9870688366
 C     -0.5339758137      1.1083514645     -3.6154129886
 C      0.2682870653      0.0084798489     -3.6886604028
 C      0.8136134196     -1.0253944126     -3.4287843159
 C      1.4164995850     -2.0720246386     -2.8005903614
 C      1.7909733299     -2.7641066177     -1.8533159712
 C      2.0447412309     -3.2185322636     -0.6189474147
 C      1.9963950223     -3.2354077383      0.6013969426
 C      1.6303335814     -2.7502876801      1.7951086772
 C      1.1215358028     -2.1547026828      2.6903615371
18
# ORCA AIMD Position Step 1440, t=1440.00 fs, E_Pot=-685.23819534 Hartree, Unit is Angstrom
 C      0.3251603010     -1.2670260295      3.3145666828
 C     -0.4849581360     -0.4234940726      3.4868444992
 C     -1.3292139539      0.6225069513      3.2523439025
 C     -1.7004578794      1.5563235523      2.5983049497
 C     -2.0331644217      2.5092496377      1.7070336390
 C     -2.0104874578      2.8985837755      0.5483767323
 C     -1.8495823133      2.9797378333     -0.8169209535
 C     -1.5608567556      2.7107821310     -1.9509348564
 C     -1.0511567462      2.0208075282     -2.9792994258
 C     -0.5300252451      1.1162287533     -3.6138363695
 C      0.2679181470      0.0035636239     -3.6833526890
 C      0.8127748503     -1.0264440329     -3.4241124804
 C      1.4142916325     -2.0666293559     -2.8051556518
 C      1.7889686953     -2.7669493382     -1.8555213728
 C      2.0456837046     -3.2138625078     -0.6217066001
 C      1.9973187178     -3.2454376871      0.5954689929
 C      1.6311152200     -2.7549682806      1.7943970424
 C      1.1125751911     -2.1638506211      2.6885183759
18
# ORCA AIMD Position Step 1441, t=1441.00 fs, E_Pot=-685.23811272 Hartree, Unit is Angstrom
 C      0.3229949574     -1.2720511084      3.3115396687
 C     -0.4829995952     -0.4225111718      3.4875033650
 C     -1.3279045576      0.6252374640      3.2515260188
 C     -1.7000865641      1.5501300179      2.5904878478
 C     -2.0378098567      2.5037659927      1.7039602800
 C     -2.0106522011      2.9068633100      0.5547869885
 C     -1.8488347128      2.9875872968     -0.8128191150
 C     -1.5570244956      2.7147114356     -1.9513799784
 C     -1.0446930923      2.0269712657     -2.9723614117
 C     -0.5255631694      1.1240922150     -3.6116810581
 C      0.2660887461      0.0004138256     -3.6787021819
 C      0.8129127649     -1.0289787798     -3.4192448155
 C      1.4125375516     -2.0621172676     -2.8082722918
 C      1.7865440197     -2.7688415401     -1.8595699044
 C      2.0466331170     -3.2093621493     -0.6239487934
 C      1.9982878586     -3.2552593827      0.5891286974
 C      1.6328239064     -2.7609313311      1.7926519986
 C      1.1029608275     -2.1721610993      2.6879475748
18
# ORCA AIMD Position Step 1442, t=1442.00 fs, E_Pot=-685.23917888 Hartree, Unit is Angstrom
 C      0.3221208781     -1.2786886183      3.3084295509
 C     -0.4829844206     -0.4195702060      3.4885568480
 C     -1.3254737621      0.6266573409      3.2514290909
 C     -1.7005771087      1.5451743164      2.5826898903
 C     -2.0422973686      2.4982118381      1.7000934364
 C     -2.0108762144      2.9153262090      0.5601776670
 C     -1.8484645016      2.9957301682     -0.8069555510
 C     -1.5532983383      2.7187848448     -1.9518211022
 C     -1.0379178297      2.0324562421     -2.9664270800
 C     -0.5204904592      1.1317438364     -3.6089521795
 C      0.2627137556     -0.0007798004     -3.6747015027
 C      0.8138427074     -1.0326913946     -3.4143708582
 C      1.4114397776     -2.0588826494     -2.8096320981
 C      1.7836767119     -2.7696868613     -1.8655478894
 C      2.0475848251     -3.2050470770     -0.6260144819
 C      1.9992435901     -3.2647733792      0.5828745638
 C      1.6353092145     -2.7680549894      1.7900095337
 C      1.0929711907     -2.1799184382      2.6882690563
18
# ORCA AIMD Position Step 1443, t=1443.00 fs, E_Pot=-685.24047734 Hartree, Unit is Angstrom
 C      0.3220092602     -1.2863735154      3.3054155701
 C     -0.4844781586     -0.4151438476      3.4899328234
 C     -1.3219388832      0.6267778250      3.2520383623
 C     -1.7019402286      1.5414511598      2.5749613585
 C     -2.0466170647      2.4925280882      1.6957237108
 C     -2.0111658797      2.9240511362      0.5641985336
 C     -1.8483253877      3.0040260263     -0.7998946935
 C     -1.5498773494      2.7232314346     -1.9515719410
 C     -1.0308271754      2.0372485922     -2.9615655405
 C     -0.5147239735      1.1389719620     -3.6057036029
 C      0.2579251299     -0.0001895369     -3.6712741972
 C      0.8152274424     -1.0369941699     -3.4097536864
 C      1.4110957114     -2.0571208499     -2.8091774423
 C      1.7804637880     -2.7696017278     -1.8731976609
 C      2.0485175671     -3.2009034496     -0.6283451935
 C      2.0001342589     -3.2738910792      0.5771748445
 C      1.6383144044     -2.7760997860      1.7867958122
 C      1.0830304390     -2.1875479017      2.6889221190
18
# ORCA AIMD Position Step 1444, t=1444.00 fs, E_Pot=-685.24110201 Hartree, Unit is Angstrom
 C      0.3219637594     -1.2943414392      3.3027303195
 C     -0.4868211812     -0.4099665311      3.4915363501
 C     -1.3174635122      0.6258725145      3.2531930984
 C     -1.7041047029      1.5387728451      2.5674764153
 C     -2.0507659310      2.4866752275      1.6910870601
 C     -2.0115337956      2.9330957321      0.5666330808
 C     -1.8482614234      3.0123341593     -0.7922659694
 C     -1.5469190835      2.7282260742     -1.9500428010
 C     -1.0234935184      2.0414493764     -2.9577193894
 C     -0.5082004960      1.1455788654     -3.6020263926
 C      0.2520268851      0.0017280824     -3.6682921746
 C      0.8166414306     -1.0411428601     -3.4056820971
 C      1.4114751631     -2.0567872641     -2.8071235578
 C      1.7771126246     -2.7689074716     -1.8819530550
 C      2.0493977225     -3.1968984294     -0.6313763633
 C      2.0009202400     -3.2825425768      0.5723833172
 C      1.6415328950     -2.7847761163      1.7834260310
 C      1.0736113964     -2.1955234113      2.6892885927
18
# ORCA AIMD Position Step 1445, t=1445.00 fs, E_Pot=-685.24075617 Hartree, Unit is Angstrom
 C      0.3212967657     -1.3018250899      3.3005972996
 C     -0.4892833194     -0.4048667097      3.4932733265
 C     -1.3123239622      0.6244103176      3.2546218784
 C     -1.7069324259      1.5368076920      2.5605033146
 C     -2.0547493679      2.4806561551      1.6863117149
 C     -2.0120006899      2.9424829353      0.5674417460
 C     -1.8481307971      3.0205411003     -0.7846666974
 C     -1.5445076958      2.7338621517     -1.9468380685
 C     -1.0160512369      2.0452602419     -2.9547092711
 C     -0.5008881669      1.1514142737     -3.5980281683
 C      0.2454239562      0.0043533364     -3.6656046336
 C      0.8176564361     -1.0443898988     -3.4024188255
 C      1.4124173666     -2.0575898768     -2.8039417989
 C      1.7739149232     -2.7680926843     -1.8910249163
 C      2.0501838910     -3.1929971336     -0.6354213452
 C      2.0015786645     -3.2906792503      0.5686668361
 C      1.6446672576     -2.7938096623      1.7803074060
 C      1.0651344762     -2.2042669073      2.6888175526
18
# ORCA AIMD Position Step 1446, t=1446.00 fs, E_Pot=-685.23982292 Hartree, Unit is Angstrom
 C      0.3194781826     -1.3082255136      3.2991721507
 C     -0.4912024747     -0.4006113654      3.4950720157
 C     -1.3068527132      0.6229494359      3.2560017856
 C     -1.7102509707      1.5351612059      2.5543473842
 C     -2.0585778675      2.4745219072      1.6813975449
 C     -2.0125969273      2.9521907022      0.5667758053
 C     -1.8478228084      3.0285757320     -0.7775945095
 C     -1.5426388223      2.7401401875     -1.9418078987
 C     -1.0086740110      2.0489444744     -2.9522637435
 C     -0.4927918603      1.1563977884     -3.5938073507
 C      0.2385399032      0.0070403428     -3.6630690170
 C      0.8179195477     -1.0461227081     -3.4001555767
 C      1.4136479176     -2.0590237132     -2.8003049946
 C      1.7712086373     -2.7677458851     -1.8995184316
 C      2.0508354797     -3.1891850239     -0.6405854468
 C      2.0021047180     -3.2982667543      0.5659748610
 C      1.6474732593     -2.8029871807      1.7777652816
 C      1.0578877981     -2.2140618766      2.6871217577
18
# ORCA AIMD Position Step 1447, t=1447.00 fs, E_Pot=-685.23905273 Hartree, Unit is Angstrom
 C      0.3162159262     -1.3132095118      3.2985064681
 C     -0.4920700375     -0.3978044054      3.4968893141
 C     -1.3013836180      0.6220363003      3.2570169171
 C     -1.7138823677      1.5334474847      2.5493011848
 C     -2.0622625440      2.4683732065      1.6762237884
 C     -2.0133620178      2.9621453662      0.5649634027
 C     -1.8472655913      3.0364136810     -0.7714198353
 C     -1.5412260862      2.7469747873     -1.9350451670
 C     -1.0015435155      2.0527743695     -2.9500700758
 C     -0.4839685248      1.1605443233     -3.5894298210
 C      0.2317610991      0.0092163961     -3.6605751992
 C      0.8171994610     -1.0459493251     -3.3989914837
 C      1.4148260466     -2.0604607809     -2.7969745517
 C      1.7693248654     -2.7684589919     -1.9065839250
 C      2.0513209047     -3.1854838699     -0.6467232769
 C      2.0025117297     -3.3052777140      0.5640480630
 C      1.6497800470     -2.8121725646      1.7760089875
 C      1.0519861816     -2.2250023477      2.6840262887
18
# ORCA AIMD Position Step 1448, t=1448.00 fs, E_Pot=-685.23910357 Hartree, Unit is Angstrom
 C      0.3114801694     -1.3167419805      3.2985369336
 C     -0.4915801679     -0.3968230244      3.4987084378
 C     -1.2962011039      0.6221170708      3.2574063036
 C     -1.7176687031      1.5313513846      2.5456002649
 C     -2.0658094499      2.4623480478      1.6705872786
 C     -2.0143429977      2.9722233043      0.5624699914
 C     -1.8464288783      3.0440734312     -0.7663781209
 C     -1.5401172863      2.7542109234     -1.9268568076
 C     -0.9948188978      2.0569764176     -2.9478290290
 C     -0.4745391521      1.1639767655     -3.5849113430
 C      0.2253954513      0.0104542547     -3.6580614682
 C      0.8154075823     -1.0437349317     -3.3989294672
 C      1.4156151988     -2.0612841553     -2.7946472560
 C      1.7685240814     -2.7707044635     -1.9115855390
 C      2.0516242332     -3.1819612794     -0.6534491417
 C      2.0028281346     -3.3116850146      0.5624726111
 C      1.6514964668     -2.8213058614      1.7751197862
 C      1.0473670022     -2.2369784870      2.6795781417
18
# ORCA AIMD Position Step 1449, t=1449.00 fs, E_Pot=-685.24011501 Hartree, Unit is Angstrom
 C      0.3054891909     -1.3190727852      3.2990947832
 C     -0.4896554050     -0.3977794080      3.5005345331
 C     -1.2914990186      0.6234680370      3.2570005713
 C     -1.7214937768      1.5286815937      2.5433825235
 C     -2.0692139039      2.4565946877      1.6642651181
 C     -2.0155906009      2.9822635642      0.5598368879
 C     -1.8453227530      3.0516076116     -0.7625703992
 C     -1.5391137938      2.7616418859     -1.9177251781
 C     -0.9886147262      2.0616898156     -2.9452966635
 C     -0.4646913490      1.1669216493     -3.5802096878
 C      0.2196439688      0.0105228285     -3.6555219051
 C      0.8126012178     -1.0396062996     -3.3998826394
 C      1.4157585180     -2.0610351896     -2.7937984220
 C      1.7689322311     -2.7747097006     -1.9142605985
 C      2.0517519135     -3.1787326654     -0.6601889855
 C      2.0030916880     -3.3174567310      0.5607682157
 C      1.6526092520     -2.8303957110      1.7750494388
 C      1.0438140143     -2.2496945268      2.6740241764
18
# ORCA AIMD Position Step 1450, t=1450.00 fs, E_Pot=-685.24154228 Hartree, Unit is Angstrom
 C      0.2986565694     -1.3206770277      3.2999360740
 C     -0.4864473085     -0.4005115416      3.5023852246
 C     -1.2873521611      0.6261575294      3.2557432139
 C     -1.7252943681      1.5253875787      2.5426698180
 C     -2.0724615482      2.4512469190      1.6570694809
 C     -2.0171521229      2.9920883317      0.5576025646
 C     -1.8439953968      3.0590976731     -0.7599615598
 C     -1.5379976191      2.7690402054     -1.9082431804
 C     -0.9829781497      2.0669386548     -2.9423225605
 C     -0.4546709955      1.1696902532     -3.5752297425
 C      0.2145815838      0.0094163635     -3.6530058076
 C      0.8089690086     -1.0339259026     -3.4016962795
 C      1.4151464231     -2.0595386631     -2.7945505144
 C      1.7704983206     -2.7803731883     -1.9148184959
 C      2.0517341122     -3.1759455902     -0.6662719986
 C      2.0033420806     -3.3225630160      0.5584817700
 C      1.6531759689     -2.8395053588      1.7756347487
 C      1.0410030389     -2.2627278652      2.6677599673
18
# ORCA AIMD Position Step 1451, t=1451.00 fs, E_Pot=-685.24245637 Hartree, Unit is Angstrom
 C      0.2915278878     -1.3221890966      3.3007770195
 C     -0.4823100945     -0.4046068853      3.5042897549
 C     -1.2837053404      0.6300365853      3.2536982175
 C     -1.7290769322      1.5215821172      2.5433420076
 C     -2.0755276304      2.4463790560      1.6489133313
 C     -2.0190667097      3.0015373369      0.5562229869
 C     -1.8425254915      3.0666489418     -0.7583939204
 C     -1.5365485078      2.7761811170     -1.8990555807
 C     -0.9778889865      2.0726452766     -2.9388465757
 C     -0.4447519312      1.1726390651     -3.5698387089
 C      0.2101464649      0.0073602869     -3.6506085666
 C      0.8048119872     -1.0272558179     -3.4041658631
 C      1.4138296429     -2.0569270522     -2.7966621100
 C      1.7729992322     -2.7872712443     -1.9139176830
 C      2.0516229252     -3.1737590112     -0.6710429847
 C      2.0036130700     -3.3269825452      0.5552836717
 C      1.6533120160     -2.8487447063      1.7766176846
 C      1.0385533311     -2.2756005357      2.6612632551
18
# ORCA AIMD Position Step 1452, t=1452.00 fs, E_Pot=-685.24221687 Hartree, Unit is Angstrom
 C      0.2847046057     -1.3243239407      3.3013274154
 C     -0.4777428072     -0.4094645546      3.5062861805
 C     -1.2803792032      0.6347552922      3.2510451513
 C     -1.7329255375      1.5175377934      2.5451372203
 C     -2.0783789914      2.4419798852      1.6398495803
 C     -2.0213616560      3.0105021252      0.5559894354
 C     -1.8410119288      3.0743799246     -0.7576017589
 C     -1.5345614696      2.7828659555     -1.8907910252
 C     -0.9732726700      2.0786615068     -2.9348809802
 C     -0.4351951933      1.1761170244     -3.5638855372
 C      0.2061476324      0.0047904525     -3.6484593572
 C      0.8005114788     -1.0202983421     -3.4070565631
 C      1.4119804022     -2.0535670211     -2.7996341920
 C      1.7760962130     -2.7947625728     -1.9125063292
 C      2.0514844072     -3.1723208741     -0.6739782072
 C      2.0039282232     -3.3307063548      0.5510323234
 C      1.6531669845     -2.8582571848      1.7776845052
 C      1.0360794687     -2.2878482214      2.6550233694
18
# ORCA AIMD Position Step 1453, t=1453.00 fs, E_Pot=-685.24096183 Hartree, Unit is Angstrom
 C      0.2787483506     -1.3277643863      3.3013277721
 C     -0.4732868537     -0.4144186650      3.5084149973
 C     -1.2771079537      0.6398362554      3.2480449157
 C     -1.7369896625      1.5136443073      2.5476852802
 C     -2.0809811334      2.4379397465      1.6300871877
 C     -2.0240498489      3.0189473323      0.5569892656
 C     -1.8395552246      3.0824094913     -0.7572736460
 C     -1.5318708590      2.7889492283     -1.8839752383
 C     -0.9690201774      2.0848124356     -2.9304870194
 C     -0.4262195053      1.1804181332     -3.5572333460
 C      0.2023071926      0.0022727891     -3.6466971406
 C      0.7964785253     -1.0138047410     -3.4101367857
 C      1.4098418335     -2.0499530058     -2.8028380516
 C      1.7794083120     -2.8021268773     -1.9116171156
 C      2.0513866170     -3.1717380552     -0.6748002577
 C      2.0042955711     -3.3337478159      0.5458165272
 C      1.6528876787     -2.8681844354      1.7785293128
 C      1.0332510573     -2.2990938911      2.6494590255
18
# ORCA AIMD Position Step 1454, t=1454.00 fs, E_Pot=-685.23955819 Hartree, Unit is Angstrom
 C      0.2740953960     -1.3330570258      3.3005784241
 C     -0.4694243568     -0.4188601928      3.5107030287
 C     -1.2735802986      0.6447401577      3.2450031364
 C     -1.7414612942      1.5103545842      2.5505534248
 C     -2.0833011933      2.4340600776      1.6199807992
 C     -2.0271292077      3.0269168818      0.5590947373
 C     -1.8382441093      3.0908413691     -0.7571025601
 C     -1.5283611235      2.7943468598     -1.8789831115
 C     -0.9650141957      2.0909329562     -2.9257456722
 C     -0.4179804966      1.1857457420     -3.5497765865
 C      0.1983126877      0.0004159227     -3.6454529947
 C      0.7931027357     -1.0084814631     -3.4132004774
 C      1.4076622334     -2.0465840505     -2.8056700081
 C      1.7825942198     -2.8087097046     -1.9121396902
 C      2.0513826085     -3.1720588198     -0.6735531388
 C      2.0047080262     -3.3361382854      0.5399518678
 C      1.6525833816     -2.8786393383      1.7789088474
 C      1.0298341607     -2.3090847071      2.6448640986
18
# ORCA AIMD Position Step 1455, t=1455.00 fs, E_Pot=-685.23899271 Hartree, Unit is Angstrom
 C      0.2709746159     -1.3404985039      3.2989672975
 C     -0.4664694403     -0.4223773524      3.5131474857
 C     -1.2695053644      0.6489706792      3.2422062601
 C     -1.7465305678      1.5080999490      2.5533188172
 C     -2.0853136191      2.4300780311      1.6099990960
 C     -2.0305834476      3.0345243538      0.5619986311
 C     -1.8371355103      3.0997416741     -0.7568687804
 C     -1.5239871597      2.7990506294     -1.8759777460
 C     -0.9611535822      2.0969009477     -2.9207354860
 C     -0.4105645240      1.1921896806     -3.5414696164
 C      0.1939033186     -0.0002698098     -3.6448195855
 C      0.7906830320     -1.0048715624     -3.4160969751
 C      1.4056530581     -2.0438796591     -2.8076418422
 C      1.7854013232     -2.8140143448     -1.9146767543
 C      2.0515019173     -3.1732584305     -0.6706427328
 C      2.0051439278     -3.3379322517      0.5339598897
 C      1.6522908789     -2.8896635696      1.7787010781
 C      1.0257293404     -2.3177229950      2.6413619826
18
# ORCA AIMD Position Step 1456, t=1456.00 fs, E_Pot=-685.23969198 Hartree, Unit is Angstrom
 C      0.2693605253     -1.3500604978      3.2964894100
 C     -0.4645063402     -0.4248398268      3.5156999199
 C     -1.2646715406      0.6521602873      3.2398621610
 C     -1.7523318048      1.5071988987      2.5556449032
 C     -2.0870034870      2.4257122335      1.6006663145
 C     -2.0343830450      3.0419260488      0.5652714466
 C     -1.8362440244      3.1091192537     -0.7564851009
 C     -1.5187860688      2.8031305266     -1.8748864677
 C     -0.9573718289      2.1026537806     -2.9155208985
 C     -0.4039882576      1.1997113309     -3.5323433626
 C      0.1889440870      0.0005122072     -3.6448304418
 C      0.7893681074     -1.0032527489     -3.4187493949
 C      1.4039593885     -2.0421254301     -2.8084427595
 C      1.7876941148     -2.8177551238     -1.9194576218
 C      2.0517457958     -3.1752407788     -0.6668126376
 C      2.0055717540     -3.3392038374      0.5285117353
 C      1.6519580842     -2.9012029958      1.7779329187
 C      1.0209878692     -2.3250675402      2.6388936724
18
# ORCA AIMD Position Step 1457, t=1457.00 fs, E_Pot=-685.24126430 Hartree, Unit is Angstrom
 C      0.2689764105     -1.3613783753      3.2932500805
 C     -0.4633828044     -0.4264161591      3.5182625379
 C     -1.2589946955      0.6541411118      3.2380489153
 C     -1.7588946041      1.5077763055      2.5573489142
 C     -2.0883688210      2.4207176800      1.5924782389
 C     -2.0384886075      3.0492822919      0.5684457332
 C     -1.8355383472      3.1189190723     -0.7560127187
 C     -1.5128804141      2.8067330893     -1.8754055755
 C     -0.9536469639      2.1081973042     -2.9101462053
 C     -0.3981998992      1.2081398268     -3.5225142997
 C      0.1834738355      0.0027695518     -3.6454463912
 C      0.7891200160     -1.0035782874     -3.4211620572
 C      1.4026426572     -2.0414393347     -2.8079719779
 C      1.7894615386     -2.8198778090     -1.9263259749
 C      2.0520901422     -3.1778539396     -0.6630360701
 C      2.0059565351     -3.3400421871      0.5243267655
 C      1.6514497798     -2.9131047908      1.7767769703
 C      1.0158008665     -2.3313184735      2.6372373213
18
# ORCA AIMD Position Step 1458, t=1458.00 fs, E_Pot=-685.24283627 Hartree, Unit is Angstrom
 C      0.2693554980     -1.3738276048      3.2894451594
 C     -0.4627661559     -0.4275119126      3.5206995093
 C     -1.2525353557      0.6549721258      3.2366933451
 C     -1.7661199382      1.5097223814      2.5584385022
 C     -2.0894224602      2.4149397550      1.5858068498
 C     -2.0428571839      3.0567189167      0.5711073555
 C     -1.8349480371      3.1290325146     -0.7556350406
 C     -1.5064618189      2.8100690719     -1.8770466368
 C     -0.9500030871      2.1136125562     -2.9046269900
 C     -0.3930769921      1.2171800978     -3.5121777955
 C      0.1777045173      0.0062198783     -3.6465579349
 C      0.7897177730     -1.0054860671     -3.4234092571
 C      1.4016669205     -2.0417492615     -2.8063586243
 C      1.7908125189     -2.8205580063     -1.9347818047
 C      2.0524907921     -3.1809228413     -0.6603240176
 C      2.0062697564     -3.3405399290      0.5220183878
 C      1.6505770430     -2.9251493197      1.7755135175
 C      1.0104555668     -2.3367794930      2.6360622646
18
# ORCA AIMD Position Step 1459, t=1459.00 fs, E_Pot=-685.24360502 Hartree, Unit is Angstrom
 C      0.2699383056     -1.3866496174      3.2853246927
 C     -0.4622382911     -0.4286574915      3.5228618207
 C     -1.2454808030      0.6549097641      3.2355879874
 C     -1.7737878491      1.5127114989      2.5591030209
 C     -2.0901915085      2.4083621632      1.5808052751
 C     -2.0474506587      3.0642825918      0.5729965875
 C     -1.8343825653      3.1393258796     -0.7555942779
 C     -1.4997663217      2.8133996805     -1.8792172730
 C     -0.9464841144      2.1190213986     -2.8989697020
 C     -0.3884484594      1.2264687036     -3.5015781014
 C      0.1719609220      0.0103845176     -3.6480082743
 C      0.7908209314     -1.0084098757     -3.4256156314
 C      1.4009111820     -2.0428173039     -2.8039127045
 C      1.7919443707     -2.8201531965     -1.9441098150
 C      2.0528977814     -3.1842845583     -0.6595052797
 C      2.0064964361     -3.3407846289      0.5219510809
 C      1.6491299994     -2.9370850763      1.7744761832
 C      1.0052833562     -2.3418189495      2.6349899482
18
# ORCA AIMD Position Step 1460, t=1460.00 fs, E_Pot=-685.24324345 Hartree, Unit is Angstrom
 C      0.2701846068     -1.3991072788      3.2811435340
 C     -0.4614002814     -0.4303699104      3.5246052294
 C     -1.2380920701      0.6543229291      3.2344484326
 C     -1.7815971338      1.5162713028      2.5596593857
 C     -2.0907127755      2.4011182650      1.5773911981
 C     -2.0522383376      3.0719238463      0.5740237442
 C     -1.8337512171      3.1496637759     -0.7561195733
 C     -1.4930368746      2.8169996732     -1.8813144529
 C     -0.9431549389      2.1245880004     -2.8931607487
 C     -0.3841001593      1.2355887682     -3.4909849498
 C      0.1666170846      0.0147000356     -3.6496196769
 C      0.7920356078     -1.0116925215     -3.4279170034
 C      1.4001701834     -2.0442500213     -2.8011149546
 C      1.7931240552     -2.8191635046     -1.9534595423
 C      2.0532561505     -3.1878254915     -0.6610366084
 C      2.0066443723     -3.3408352753      0.5241055259
 C      1.6469221368     -2.9486856742      1.7739833684
 C      1.0005875446     -2.3467910585      2.6336796280
18
# ORCA AIMD Position Step 1461, t=1461.00 fs, E_Pot=-685.24194606 Hartree, Unit is Angstrom
 C      0.2696454760     -1.4105812464      3.2771243063
 C     -0.4599419058     -0.4330607914      3.5258078564
 C     -1.2306467974      0.6536025944      3.2329738004
 C     -1.7892097234      1.5198606816      2.5604948770
 C     -2.0910335133      2.3934859351      1.5752535077
 C     -2.0571979306      3.0794996119      0.5742704907
 C     -1.8329814885      3.1599273725     -0.7573646161
 C     -1.4865003196      2.8211396416     -1.8828001007
 C     -0.9400684173      2.1304652793     -2.8871950969
 C     -0.3798065149      1.2441206927     -3.4806609720
 C      0.1620241820      0.0186384174     -3.6512157614
 C      0.7929820525     -1.0147018358     -3.4304369611
 C      1.3991928802     -2.0455691560     -2.7985306265
 C      1.7946427364     -2.8181482397     -1.9619854730
 C      2.0535158189     -3.1914953943     -0.6649113281
 C      2.0067453872     -3.3407241191      0.5280410119
 C      1.6438210882     -2.9597769386      1.7742932135
 C      0.9965938373     -2.3519883614      2.6318891291
18
# ORCA AIMD Position Step 1462, t=1462.00 fs, E_Pot=-685.24029103 Hartree, Unit is Angstrom
 C      0.2680206984     -1.4206526890      3.2734247037
 C     -0.4576899130     -0.4369656361      3.5263749867
 C     -1.2233856769      0.6530760299      3.2309044117
 C     -1.7962986344      1.5229598268      2.5619909336
 C     -2.0912051786      2.3858429075      1.5739254984
 C     -2.0623104857      3.0867894127      0.5739386361
 C     -1.8320368960      3.1700325395     -0.7593574986
 C     -1.4803424767      2.8260573798     -1.8832613071
 C     -0.9372459898      2.1367593250     -2.8810971110
 C     -0.3753662070      1.2516973135     -3.4708260986
 C      0.1584573016      0.0217943579     -3.6526455162
 C      0.7933555762     -1.0169307957     -3.4332649193
 C      1.3977282090     -2.0463040461     -2.7967038114
 C      1.7967650346     -2.8176236302     -1.9689701123
 C      2.0536331502     -3.1953033310     -0.6707012123
 C      2.0068519303     -3.3404563226      0.5329840182
 C      1.6397659228     -2.9702616234      1.7755578254
 C      0.9934149661     -2.3575918247      2.6295135497
18
# ORCA AIMD Position Step 1463, t=1463.00 fs, E_Pot=-685.23892875 Hartree, Unit is Angstrom
 C      0.2651748936     -1.4291217800      3.2701269439
 C     -0.4546173984     -0.4421255800      3.5262392973
 C     -1.2164822174      0.6529573612      3.2280581276
 C     -1.8025817649      1.5251310343      2.5644684563
 C     -2.0912816036      2.3786109258      1.5728724255
 C     -2.0675559126      3.0935321242      0.5732911582
 C     -1.8309226773      3.1799353892     -0.7619892222
 C     -1.4746977900      2.8319412709     -1.8824378814
 C     -0.9346558375      2.1434914227     -2.8749413919
 C     -0.3706343082      1.2580460352     -3.4616313159
 C      0.1560912467      0.0239288401     -3.6537938354
 C      0.7929487724     -1.0180352953     -3.4364493444
 C      1.3955851175     -2.0461013738     -2.7960445915
 C      1.7996737147     -2.8179571763     -1.9739420529
 C      2.0535745568     -3.1993006742     -0.6776775661
 C      2.0070283546     -3.3400233809      0.5379796419
 C      1.6347795671     -2.9801266090      1.7778002064
 C      0.9910369303     -2.3636528155      2.6265994739
18
# ORCA AIMD Position Step 1464, t=1464.00 fs, E_Pot=-685.23824586 Hartree, Unit is Angstrom
 C      0.2611368678     -1.4360047702      3.2672351301
 C     -0.4508378476     -0.4483887042      3.5253608659
 C     -1.2100262709      0.6533244710      3.2243485756
 C     -1.8078467067      1.5260663101      2.5681386862
 C     -2.0913118121      2.3721941243      1.5715867188
 C     -2.0729083754      3.0994584912      0.5725947561
 C     -1.8296911627      3.1896342169     -0.7650126196
 C     -1.4696390930      2.8389113835     -1.8802426488
 C     -0.9322065387      2.1505801798     -2.8688591534
 C     -0.3655467565      1.2630209340     -3.4531446087
 C      0.1549907776      0.0249846838     -3.6545873880
 C      0.7916658541     -1.0178588232     -3.4399942413
 C      1.3926821149     -2.0448125377     -2.7967386224
 C      1.8034245001     -2.8192826969     -1.9767564195
 C      2.0533219483     -3.2035602908     -0.6849664460
 C      2.0073358342     -3.3394133801      0.5420663185
 C      1.6289723615     -2.9894425624      1.7808975728
 C      0.9893202766     -2.3700863946      2.6233424867
18
# ORCA AIMD Position Step 1465, t=1465.00 fs, E_Pot=-685.23818027 Hartree, Unit is Angstrom
 C      0.2560791693     -1.4415035409      3.2646871154
 C     -0.4465823901     -0.4554374301      3.5237310865
 C     -1.2040305695      0.6541265125      3.2197871286
 C     -1.8119633761      1.5256121120      2.5730758702
 C     -2.0913361470      2.3669325205      1.5696540857
 C     -2.0783335139      3.1043213279      0.5720823539
 C     -1.8284373955      3.1991623940     -0.7680616730
 C     -1.4651796603      2.8470150849     -1.8767537912
 C     -0.9297452621      2.1578328298     -2.8630402744
 C     -0.3601309297      1.2666136732     -3.4453496106
 C      0.1551120505      0.0250828209     -3.6549944312
 C      0.7895175598     -1.0164223711     -3.4438661623
 C      1.3890805219     -2.0425448227     -2.7986991969
 C      1.8079220394     -2.8214629153     -1.9776252977
 C      2.0528748442     -3.2081574314     -0.6916849903
 C      2.0078184820     -3.3386190927      0.5444258917
 C      1.6225364036     -2.9983501210      1.7845859424
 C      0.9880285270     -2.3766969892      2.6200528856
18
# ORCA AIMD Position Step 1466, t=1466.00 fs, E_Pot=-685.23834604 Hartree, Unit is Angstrom
 C      0.2502884733     -1.4459711151      3.2623713405
 C     -0.4421725640     -0.4628198170      3.5213730178
 C     -1.1984339061      0.6551952170      3.2144789133
 C     -1.8148965449      1.5237925689      2.5791900837
 C     -2.0913803799      2.3630493918      1.5668220159
 C     -2.0837897088      3.1079239661      0.5719234241
 C     -1.8272914024      3.2085855775     -0.7706894682
 C     -1.4612699036      2.8562196399     -1.8722057629
 C     -0.9270797524      2.1649772261     -2.8577034674
 C     -0.3544969052      1.2689460596     -3.4381558164
 C      0.1563118070      0.0245017824     -3.6550248535
 C      0.7866165430     -1.0139170740     -3.4479964823
 C      1.3849734845     -2.0396355965     -2.8015970391
 C      1.8129345680     -2.8241206305     -1.9770644079
 C      2.0522501790     -3.2131559335     -0.6970667360
 C      2.0084923611     -3.3376403283      0.5444981465
 C      1.6157270199     -3.0070427879      1.7884832658
 C      0.9868650290     -2.3832171733      2.6171069160
18
# ORCA AIMD Position Step 1467, t=1467.00 fs, E_Pot=-685.23836133 Hartree, Unit is Angstrom
 C      0.2441216752     -1.4498597643      3.2601494085
 C     -0.4379809278     -0.4700028026      3.5183388118
 C     -1.1931098978      0.6562673499      3.2086081101
 C     -1.8167117015      1.5208110576      2.5862267800
 C     -2.0914522264      2.3606211243      1.5630351754
 C     -2.0892333683      3.1101439137      0.5722052523
 C     -1.8264022503      3.2179940641     -0.7724214995
 C     -1.4578040448      2.8664221342     -1.8669546823
 C     -0.9240070600      2.1717109750     -2.8530569712
 C     -0.3488128702      1.2702401553     -3.4314196929
 C      0.1583669606      0.0236423654     -3.6547250421
 C      0.7831612379     -1.0106776996     -3.4522896931
 C      1.3806436955     -2.0365702670     -2.8049457242
 C      1.8181423963     -2.8267292769     -1.9757751388
 C      2.0514783588     -3.2185974447     -0.7005594670
 C      2.0093383892     -3.3364854266      0.5420424412
 C      1.6088280117     -3.0157374578      1.7921410368
 C      0.9855249833     -2.3893672707      2.6148792238
18
# ORCA AIMD Position Step 1468, t=1468.00 fs, E_Pot=-685.23811230 Hartree, Unit is Angstrom
 C      0.2379541088     -1.4536564086      3.2578801758
 C     -0.4343888959     -0.4764303167      3.5146987674
 C     -1.1878774460      0.6570080495      3.2024174251
 C     -1.8175672563      1.5170286277      2.5937879143
 C     -2.0915418907      2.3595627757      1.5584522722
 C     -2.0946228075      3.1109498598      0.5729150713
 C     -1.8259200557      3.2274912606     -0.7728119441
 C     -1.4546316016      2.8774641513     -1.8614325228
 C     -0.9203514785      2.1777660812     -2.8492515327
 C     -0.3432687279      1.2707686208     -3.4249774478
 C      0.1610012212      0.0229837592     -3.6541695395
 C      0.7794170123     -1.0071528907     -3.4566291184
 C      1.3764021043     -2.0338709054     -2.8082134537
 C      1.8232011020     -2.8287278234     -1.9744879295
 C      2.0505970072     -3.2244899420     -0.7019176103
 C      2.0103013647     -3.3351719467      0.5371639512
 C      1.6021056426     -3.0246346668      1.7951160303
 C      0.9837511010     -2.3949181278      2.6136719183
18
# ORCA AIMD Position Step 1469, t=1469.00 fs, E_Pot=-685.23776338 Hartree, Unit is Angstrom
 C      0.2321193646     -1.4578026891      3.2554476865
 C     -0.4317311021     -0.4816054888      3.5105301252
 C     -1.1825273510      0.6570556717      3.1961768735
 C     -1.8176908380      1.5129150580      2.6013816355
 C     -2.0916265048      2.3596460071      1.5534200687
 C     -2.0999225696      3.1104054753      0.5739455353
 C     -1.8259697318      3.2371701566     -0.7715167979
 C     -1.4515846775      2.8891611763     -1.8560725820
 C     -0.9159897986      2.1829502508     -2.8463540031
 C     -0.3380468094      1.2708117390     -3.4186737362
 C      0.1639270247      0.0230138006     -3.6534457721
 C      0.7756774419     -1.0038399598     -3.4608905763
 C      1.3725335722     -2.0320023940     -2.8109205015
 C      1.8277994538     -2.8296247533     -1.9738281490
 C      2.0496443714     -3.2307993690     -0.7012441688
 C      2.0112946241     -3.3337294851      0.5302944599
 C      1.5957616847     -3.0338704349      1.7970458685
 C      0.9813885665     -2.3997501491      2.6136484444
18
# ORCA AIMD Position Step 1470, t=1470.00 fs, E_Pot=-685.23755520 Hartree, Unit is Angstrom
 C      0.2268537102     -1.4626136086      3.2527860572
 C     -0.4302417674     -0.4851703331      3.5059007784
 C     -1.1768603757      0.6560753927      3.1901467375
 C     -1.8173400156      1.5089809918      2.6084853900
 C     -2.0916742441      2.3605276409      1.5484346451
 C     -2.1051057402      3.1086635540      0.5751056320
 C     -1.8266272345      3.2470886554     -0.7683591587
 C     -1.4485059907      2.9013279532     -1.8512390224
 C     -0.9108730323      2.1871821151     -2.8443294296
 C     -0.3332972607      1.2706176282     -3.4123884570
 C      0.1668903445      0.0241538985     -3.6526388389
 C      0.7722243027     -1.0012180724     -3.4649526170
 C      1.3692551099     -2.0313018511     -2.8127109781
 C      1.8317001995     -2.8290715806     -1.9742142327
 C      2.0486550596     -3.2374438607     -0.6990133096
 C      2.0122084081     -3.3322008991      0.5221575609
 C      1.5898997084     -3.0434788384      1.7977085461
 C      0.9784195488     -2.4038899909      2.6147928458
18
# ORCA AIMD Position Step 1471, t=1471.00 fs, E_Pot=-685.23758688 Hartree, Unit is Angstrom
 C      0.2222519048     -1.4682086911      3.2498980706
 C     -0.4300087307     -0.4869786192      3.5008579845
 C     -1.1707358846      0.6538277195      3.1845340455
 C     -1.8167524984      1.5056947902      2.6146190449
 C     -2.0916500204      2.3617966575      1.5440772752
 C     -2.1101555490      3.1059466671      0.5761518716
 C     -1.8278984365      3.2572482261     -0.7633797618
 C     -1.4452775083      2.9138026645     -1.8471621889
 C     -0.9050353867      2.1905046907     -2.8430409974
 C     -0.3291233125      1.2703777623     -3.4060537759
 C      0.1697156101      0.0266782943     -3.6518163907
 C      0.7692836582     -0.9996702241     -3.4687109931
 C      1.3666901486     -2.0319390813     -2.8133940673
 C      1.8347650636     -2.8269056900     -1.9758076233
 C      2.0476573429     -3.2442949701     -0.6960315440
 C      2.0129209411     -3.3306430097      0.5136987666
 C      1.5845128471     -3.0533744211      1.7970519346
 C      0.9749727498     -2.4075203467      2.6169025555
18
# ORCA AIMD Position Step 1472, t=1472.00 fs, E_Pot=-685.23775119 Hartree, Unit is Angstrom
 C      0.2182574985     -1.4744907175      3.2468565701
 C     -0.4309518311     -0.4871327079      3.4954218880
 C     -1.1641219017      0.6502353525      3.1794526354
 C     -1.8160948793      1.5034055449      2.6194075677
 C     -2.0915192104      2.3630247543      1.5409450368
 C     -2.1150675327      3.1025131725      0.5768367635
 C     -1.8297115990      3.2675909554     -0.7568546854
 C     -1.4418350374      2.9264571156     -1.8439118799
 C     -0.8985933198      2.1930872077     -2.8422584518
 C     -0.3255748747      1.2702135328     -3.3996589477
 C      0.1723409435      0.0306514210     -3.6510172499
 C      0.7669906117     -0.9994216840     -3.4720854572
 C      1.3648524238     -2.0338921696     -2.8129710960
 C      1.8369641069     -2.8231659388     -1.9785043791
 C      2.0466742323     -3.2511927082     -0.6933323225
 C      2.0133120772     -3.3291223266      0.5059741669
 C      1.5794975274     -3.0633664495      1.7951851523
 C      0.9712941670     -2.4109489315      2.6196249884
18
# ORCA AIMD Position Step 1473, t=1473.00 fs, E_Pot=-685.23788006 Hartree, Unit is Angstrom
 C      0.2146844728     -1.4811743202      3.2437882750
 C     -0.4328355700     -0.4859755640      3.4895939092
 C     -1.1571276481      0.6454297471      3.1748959132
 C     -1.8154264732      1.5022860653      2.6226278134
 C     -2.0912533157      2.3638306972      1.5395615085
 C     -2.1198482336      3.0986091723      0.5769706929
 C     -1.8319223997      3.2780063561     -0.7492705300
 C     -1.4381708810      2.9392023331     -1.8413999727
 C     -0.8917320658      2.1952079958     -2.8416806543
 C     -0.3226501854      1.2701786194     -3.3932450961
 C      0.1748329078      0.0358975138     -3.6502473652
 C      0.7653681351     -1.0004991492     -3.4750276826
 C      1.3636439835     -2.0369511716     -2.8116368635
 C      1.8383760942     -2.8180848822     -1.9819661727
 C      2.0457230607     -3.2579690900     -0.6919841223
 C      2.0132774899     -3.3277054816      0.4999780885
 C      1.5746851943     -3.0731957554      1.7923408243
 C      0.9676969342     -2.4145552344      2.6225222091
18
# ORCA AIMD Position Step 1474, t=1474.00 fs, E_Pot=-685.23787314 Hartree, Unit is Angstrom
 C      0.2112740489     -1.4878655040      3.2408423550
 C     -0.4353114741     -0.4840318126      3.4833686722
 C     -1.1500075232      0.6397549493      3.1707378557
 C     -1.8146877172      1.5023154215      2.6242230351
 C     -2.0908332559      2.3639390507      1.5402948496
 C     -2.1245149923      3.0944203368      0.5764810405
 C     -1.8343343232      3.2883516345     -0.7412567910
 C     -1.4343213245      2.9519811018     -1.8394227315
 C     -0.8846833635      2.1972241622     -2.8409639941
 C     -0.3203054587      1.2702709262     -3.3868907280
 C      0.1773727490      0.0420221821     -3.6494835017
 C      0.7643330205     -1.0027357756     -3.4775207996
 C      1.3628647999     -2.0407411269     -2.8097606157
 C      1.8391769687     -2.8120579577     -1.9856781158
 C      2.0448149358     -3.2644749517     -0.6928538414
 C      2.0127417781     -3.3264499936      0.4964364249
 C      1.5698823744     -3.0825843014      1.7888201859
 C      0.9644953768     -2.4187186078      2.6251528954
18
# ORCA AIMD Position Step 1475, t=1475.00 fs, E_Pot=-685.23772299 Hartree, Unit is Angstrom
 C      0.2077671381     -1.4941642905      3.2381531653
 C     -0.4379792626     -0.4819174657      3.4767482335
 C     -1.1431294465      0.6337231729      3.1667620057
 C     -1.8137195136      1.5033042734      2.6242843152
 C     -2.0902529737      2.3632234261      1.5432983310
 C     -2.1290912283      3.0900351933      0.5754485838
 C     -1.8367283193      3.2984752860     -0.7334932183
 C     -1.4303460950      2.9647532074     -1.8377231561
 C     -0.8776975793      2.1995290050     -2.8397559928
 C     -0.3184706966      1.2704528960     -3.3806924076
 C      0.1802170849      0.0484804835     -3.6486826314
 C      0.7637247290     -1.0058178287     -3.4795727166
 C      1.3622373528     -2.0447677156     -2.8078427106
 C      1.8396152951     -2.8055915194     -1.9890257477
 C      2.0439547508     -3.2706001697     -0.6963898592
 C      2.0116673878     -3.3253979551      0.4956233188
 C      1.5649086661     -3.0912811406      1.7849370340
 C      0.9619408936     -2.4237472690      2.6271496456
18
# ORCA AIMD Position Step 1476, t=1476.00 fs, E_Pot=-685.23748500 Hartree, Unit is Angstrom
 C      0.2039721516     -1.4997616394      3.2358066970
 C     -0.4404527268     -0.4802389237      3.4697510783
 C     -1.1369158098      0.6279319401      3.1627098525
 C     -1.8123036246      1.5049490781      2.6230111566
 C     -2.0895229608      2.3617225703      1.5484884069
 C     -2.1335985612      3.0854336203      0.5741035312
 C     -1.8388952426      3.3082372846     -0.7266104478
 C     -1.4263067953      2.9774797746     -1.8360534810
 C     -0.8710118355      2.2025009390     -2.8377322588
 C     -0.3170681543      1.2706737051     -3.3747429855
 C      0.1836435976      0.0546768670     -3.6477932322
 C      0.7633459832     -1.0093547661     -3.4812064301
 C      1.3614489515     -2.0484894468     -2.8064429282
 C      1.8399729214     -2.7992294933     -1.9913872257
 C      2.0431403164     -3.2762818511     -0.7025093262
 C      2.0100579856     -3.3245764691      0.4972803918
 C      1.5596267920     -3.0990983587      1.7809690693
 C      0.9601725632     -2.4298211823      2.6282786069
18
# ORCA AIMD Position Step 1477, t=1477.00 fs, E_Pot=-685.23728842 Hartree, Unit is Angstrom
 C      0.1998080228     -1.5045026763      3.2338209300
 C     -0.4424135453     -0.4795069467      3.4624142181
 C     -1.1317752204      0.6229682133      3.1583313838
 C     -1.8102078964      1.5068935214      2.6206698348
 C     -2.0886736633      2.3596276463      1.5555599624
 C     -2.1380496082      3.0805043491      0.5727885049
 C     -1.8406619374      3.3175208737     -0.7211116058
 C     -1.4222494704      2.9901115857     -1.8342247161
 C     -0.8648193422      2.2064496415     -2.8346301245
 C     -0.3160342740      1.2709031478     -3.3691085099
 C      0.1878990247      0.0600599305     -3.6467659371
 C      0.7630045867     -1.0129528741     -3.4824510028
 C      1.3602087767     -2.0514118904     -2.8060827809
 C      1.8405101057     -2.7934575616     -1.9922459310
 C      2.0423635916     -3.2815042741     -0.7106265085
 C      2.0079579276     -3.3240045534      0.5006728610
 C      1.5539575765     -3.1059286998      1.7771280348
 C      0.9591932927     -2.4369629244      2.6284697171
18
# ORCA AIMD Position Step 1478, t=1478.00 fs, E_Pot=-685.23731595 Hartree, Unit is Angstrom
 C      0.1953220386     -1.5084136771      3.2321427622
 C     -0.4436540345     -0.4800640418      3.4547868327
 C     -1.1280364153      0.6193116381      3.1534336239
 C     -1.8072274836      1.5087852664      2.6175529898
 C     -2.0877562118      2.3572481812      1.5640344743
 C     -2.1424401490      3.0750827472      0.5718854568
 C     -1.8419134266      3.3262367030     -0.7173079820
 C     -1.4181946197      3.0025828869     -1.8321337749
 C     -0.8592421534      2.2115680385     -2.8302801417
 C     -0.3153349908      1.2711514313     -3.3638111422
 C      0.1931538483      0.0642133462     -3.6455599488
 C      0.7625448306     -1.0162751197     -3.4833363923
 C      1.3583139335     -2.0531905711     -2.8071361308
 C      1.8414055328     -2.7886077523     -1.9912981154
 C      2.0416135909     -3.2862893124     -0.7198054303
 C      2.0054420808     -3.3237002813      0.5047661976
 C      1.5478887553     -3.1117529299      1.7735375987
 C      0.9588696436     -2.4450358777      2.6278183927
18
# ORCA AIMD Position Step 1479, t=1479.00 fs, E_Pot=-685.23767143 Hartree, Unit is Angstrom
 C      0.1906790401     -1.5116900287      3.2306614561
 C     -0.4441010937     -0.4820403567      3.4469214398
 C     -1.1258963541      0.6172570835      3.1479158233
 C     -1.8032161003      1.5103199511      2.6139486376
 C     -2.0868414715      2.3549666655      1.5733245821
 C     -2.1467435939      3.0689977858      0.5717372917
 C     -1.8426049370      3.3343207946     -0.7152870836
 C     -1.4141355195      3.0148121768     -1.8297694980
 C     -0.8543155048      2.2178987436     -2.8246274972
 C     -0.3149725079      1.2714812697     -3.3588201768
 C      0.1994719307      0.0669160586     -3.6441460313
 C      0.7618659444     -1.0190789225     -3.4838922351
 C      1.3557034952     -2.0537118684     -2.8097399294
 C      1.8427080554     -2.7847855572     -1.9885329717
 C      2.0408811676     -3.2906863996     -0.7289582385
 C      2.0026020737     -3.3236854912      0.5084444705
 C      1.5414750594     -3.1166334624      1.7702239140
 C      0.9589553630     -2.4537708092      2.6265598660
18
# ORCA AIMD Position Step 1480, t=1480.00 fs, E_Pot=-685.23826177 Hartree, Unit is Angstrom
 C      0.1861285111     -1.5146547536      3.2292315809
 C     -0.4438195593     -0.4853438826      3.4388658427
 C     -1.1253871420      0.6168649642      3.1417876469
 C     -1.7981077893      1.5112737463      2.6101153817
 C     -2.0860175474      2.3531908446      1.5828034595
 C     -2.1509084562      3.0621164751      0.5725809988
 C     -1.8427643355      3.3417299458     -0.7149117046
 C     -1.4100429250      3.0267084266     -1.8272006527
 C     -0.8499839745      2.2253235951     -2.8177400520
 C     -0.3149818871      1.2720057326     -3.3540527597
 C      0.2067985603      0.0681706986     -3.6425071489
 C      0.7609278728     -1.0212328767     -3.4841477538
 C      1.3524815580     -2.0531222077     -2.8137579125
 C      1.8443178761     -2.7818516155     -1.9842533277
 C      2.0401624200     -3.2947623948     -0.7370306056
 C      1.9995299769     -3.3239858491      0.5107087460
 C      1.5348297510     -3.1206994075      1.7671173935
 C      0.9591344072     -2.4628125516      2.6250238903
18
# ORCA AIMD Position Step 1481, t=1481.00 fs, E_Pot=-685.23884613 Hartree, Unit is Angstrom
 C      0.1819578792     -1.5176970939      3.2277008037
 C     -0.4429923778     -0.4896881350      3.4306556798
 C     -1.1263664916      0.6179449911      3.1351733886
 C     -1.7919293547      1.5115329200      2.6062559603
 C     -2.0853818272      2.3523042639      1.5918771514
 C     -2.1548635458      3.0543750033      0.5745053891
 C     -1.8424854931      3.3484387068     -0.7158482887
 C     -1.4058732152      3.0381835135     -1.8245508941
 C     -0.8461110870      2.2335788357     -2.8097999646
 C     -0.3154184168      1.2728714908     -3.3493845103
 C      0.2149653365      0.0682018802     -3.6406370260
 C      0.7597477242     -1.0227163858     -3.4841327938
 C      1.3488983268     -2.0517940597     -2.8188112004
 C      1.8460089956     -2.7794650706     -1.9790200582
 C      2.0394598668     -3.2985907127     -0.7431484300
 C      1.9963026836     -3.3246280804      0.5108200277
 C      1.5281083462     -3.1241232934      1.7640672958
 C      0.9590723987     -2.4717814640      2.6235759994
18
# ORCA AIMD Position Step 1482, t=1482.00 fs, E_Pot=-685.23921610 Hartree, Unit is Angstrom
 C      0.1784411209     -1.5212037166      3.2259353291
 C     -0.4418755636     -0.4946624788      3.4223133144
 C     -1.1285370578      0.6200817884      3.1282960814
 C     -1.7848063434      1.5111206117      2.6024885346
 C     -2.0850292424      2.3526137689      1.6000602877
 C     -2.1585267306      3.0457966672      0.5774391280
 C     -1.8419117264      3.3544365731     -0.7176281620
 C     -1.4015783015      3.0491648174     -1.8219694292
 C     -0.8424999559      2.2422941369     -2.8010775462
 C     -0.3163425599      1.2742405475     -3.3446665550
 C      0.2237135733      0.0674167142     -3.6385378033
 C      0.7583906874     -1.0236061657     -3.4838777400
 C      1.3452973175     -2.0502437519     -2.8243623807
 C      1.8474815730     -2.7771707329     -1.9735371904
 C      2.0387812696     -3.3022393673     -0.7467196891
 C      1.9929702867     -3.3256363697      0.5083765506
 C      1.5214801817     -3.1270906228      1.7608761669
 C      0.9584721162     -2.4803372288      2.6225528619
18
# ORCA AIMD Position Step 1483, t=1483.00 fs, E_Pot=-685.23931305 Hartree, Unit is Angstrom
 C      0.1757907594     -1.5254879388      3.2238435374
 C     -0.4407463755     -0.4998184090      3.4138446975
 C     -1.1314765832      0.6226786755      3.1214600330
 C     -1.7769591086      1.5102074037      2.5988288547
 C     -2.0850407238      2.3543140013      1.6070309375
 C     -2.1618150058      3.0365008172      0.5811469593
 C     -1.8412145994      3.3597217657     -0.7197145386
 C     -1.3971179024      3.0596067798     -1.8195927521
 C     -0.8389226342      2.2510439030     -2.7918998509
 C     -0.3177987776      1.2762571503     -3.3397463841
 C      0.2327240118      0.0663538986     -3.6362162289
 C      0.7569510975     -1.0240489380     -3.4834150584
 C      1.3420523469     -2.0490338692     -2.8298215834
 C      1.8484261199     -2.7745094343     -1.9685068019
 C      2.0381381305     -3.3057513114     -0.7475012621
 C      1.9895450207     -3.3270303468      0.5033425301
 C      1.5151025819     -3.1297647576      1.7573416714
 C      0.9571197784     -2.4882356513      2.6221979606
18
# ORCA AIMD Position Step 1484, t=1484.00 fs, E_Pot=-685.23918381 Hartree, Unit is Angstrom
 C      0.1741245111     -1.5307350149      3.2213871043
 C     -0.4398483835     -0.5047615242      3.4052426438
 C     -1.1346886264      0.6250288315      3.1150193852
 C     -1.7686874522      1.5091059221      2.5951838762
 C     -2.0854710235      2.3574563909      1.6126745425
 C     -2.1646545306      3.0267050806      0.5852408420
 C     -1.8405705405      3.3642934763     -0.7215715275
 C     -1.3924666508      3.0694913696     -1.8175217834
 C     -0.8351538264      2.2594091217     -2.7826053852
 C     -0.3198005254      1.2790207312     -3.3344912535
 C      0.2416542046      0.0656115161     -3.6336790484
 C      0.7555391503     -1.0242355276     -3.4827745334
 C      1.3395012839     -2.0486700954     -2.8346500837
 C      1.8485821331     -2.7711138462     -1.9644985364
 C      2.0375444305     -3.3091277310     -0.7456456715
 C      1.9859966392     -3.3288242485      0.4960517420
 C      1.5090975136     -3.1322596819      1.7532976281
 C      0.9549126019     -2.4953616404      2.6226207607
18
# ORCA AIMD Position Step 1485, t=1485.00 fs, E_Pot=-685.23886752 Hartree, Unit is Angstrom
 C      0.1734381511     -1.5369603656      3.2185861676
 C     -0.4393429254     -0.5092319040      3.3964913028
 C     -1.1376713080      0.6264154102      3.1093286528
 C     -1.7603309470      1.5082186359      2.5913837996
 C     -2.0863425274      2.3619428061      1.6170894317
 C     -2.1669894412      3.0167145504      0.5892119404
 C     -1.8401345715      3.3681464925     -0.7227354618
 C     -1.3876261151      3.0788315550     -1.8157946411
 C     -0.8309973816      2.2670250240     -2.7735094274
 C     -0.3223195181      1.2825689825     -3.3288064482
 C      0.2501797874      0.0657604269     -3.6309274179
 C      0.7542598513     -1.0243547525     -3.4819823343
 C      1.3378990487     -2.0495333002     -2.8384339454
 C      1.8477766964     -2.7667681168     -1.9618620411
 C      2.0370138934     -3.3123208406     -0.7417186934
 C      1.9822628180     -3.3310281006      0.4871782373
 C      1.5035265987     -3.1346200696      1.7486610602
 C      0.9518752963     -2.5017429356      2.6237740800
18
# ORCA AIMD Position Step 1486, t=1486.00 fs, E_Pot=-685.23836833 Hartree, Unit is Angstrom
 C      0.1736053142     -1.5440015898      3.2155167004
 C     -0.4392881090     -0.5131424423      3.3875699308
 C     -1.1399922856      0.6262196570      3.1046883572
 C     -1.7522092288      1.5079525704      2.5872368642
 C     -2.0876439405      2.3675454484      1.6205635104
 C     -2.1687867095      3.0069004300      0.5924666410
 C     -1.8400219732      3.3712655613     -0.7228628369
 C     -1.3826286014      3.0876679811     -1.8143727636
 C     -0.8263118791      2.2736271736     -2.7648684939
 C     -0.3252770721      1.2868559867     -3.3226514249
 C      0.2580299023      0.0672691037     -3.6279503508
 C      0.7531943083     -1.0245525827     -3.4810590859
 C      1.3373810993     -2.0518218073     -2.8409445396
 C      1.8459503746     -2.7614454903     -1.9606784980
 C      2.0365633975     -3.3152338965     -0.7366642984
 C      1.9782530030     -3.3336493032      0.4776841427
 C      1.4983881378     -3.1368208204      1.7434469785
 C      0.9481506145     -2.5075412859      2.6254607544
18
# ORCA AIMD Position Step 1487, t=1487.00 fs, E_Pot=-685.23775314 Hartree, Unit is Angstrom
 C      0.1743979649     -1.5515461082      3.2122982734
 C     -0.4396381970     -0.5165805577      3.3784594049
 C     -1.1413646711      0.6240341757      3.1012858402
 C     -1.7445527910      1.5086100429      2.5826025995
 C     -2.0893369399      2.3739542703      1.6235106729
 C     -2.1700379807      2.9976610137      0.5943888040
 C     -1.8402942156      3.3736237218     -0.7217630877
 C     -1.3775360929      3.0960598165     -1.8131411021
 C     -0.8210285915      2.2790856119     -2.7568518837
 C     -0.3285421940      1.2917437227     -3.3160482478
 C      0.2650159389      0.0704386203     -3.6247202615
 C      0.7523849329     -1.0248946591     -3.4800186516
 C      1.3379424834     -2.0555192157     -2.8421739728
 C      1.8431661931     -2.7553134765     -1.9607578197
 C      2.0362148309     -3.3177347932     -0.7316928584
 C      1.9738608385     -3.3366941510      0.4687101019
 C      1.4936244659     -3.1387831029      1.7377638669
 C      0.9439708274     -2.5130187289      2.6273689913
18
# ORCA AIMD Position Step 1488, t=1488.00 fs, E_Pot=-685.23724216 Hartree, Unit is Angstrom
 C      0.1755272848     -1.5591902062      3.2090742754
 C     -0.4402646737     -0.5197741802      3.3691493718
 C     -1.1416999591      0.6197468349      3.0991515604
 C     -1.7374476701      1.5102922453      2.5774574906
 C     -2.0913679463      2.3808456706      1.6263742226
 C     -2.1707568968      2.9893684497      0.5944253842
 C     -1.8409545533      3.3751846506     -0.7194087550
 C     -1.3724330421      3.1040723606     -1.8119224430
 C     -0.8151610796      2.2834231552     -2.7495240574
 C     -0.3319348805      1.2970022442     -3.3090838108
 C      0.2710456277      0.0753656531     -3.6211921299
 C      0.7518277206     -1.0253420048     -3.4788682494
 C      1.3394331314     -2.0603881502     -2.8423468355
 C      1.8396057228     -2.7487143282     -1.9616723766
 C      2.0359938476     -3.3196786579     -0.7280857734
 C      1.9689819394     -3.3401680421      0.4614003861
 C      1.4891401784     -3.1404018323      1.7317909162
 C      0.9396132462     -2.5184868406      2.6291301525
18
# ORCA AIMD Position Step 1489, t=1489.00 fs, E_Pot=-685.23714067 Hartree, Unit is Angstrom
 C      0.1766956917     -1.5665156390      3.2059876929
 C     -0.4409911616     -0.5230321089      3.3596468193
 C     -1.1411164304      0.6135654127      3.0981485856
 C     -1.7308195194      1.5128550875      2.5719269768
 C     -2.0936829172      2.3879512969      1.6295172585
 C     -2.1709726583      2.9823125232      0.5921855047
 C     -1.8419503377      3.3759110407     -0.7159258301
 C     -1.3674161828      3.1117616134     -1.8105047872
 C     -0.8088057408      2.2868145518     -2.7428414777
 C     -0.3352351032      1.3023195916     -3.3019055447
 C      0.2761209622      0.0819377369     -3.6173068119
 C      0.7514735918     -1.0257468083     -3.4776088149
 C      1.3415716244     -2.0659932474     -2.8419030062
 C      1.8355509445     -2.7421241422     -1.9628194658
 C      2.0359233008     -3.3209349249     -0.7269335773
 C      1.9635366576     -3.3440735439      0.4566710555
 C      1.4848260901     -3.1415763473      1.7257460436
 C      0.9353504818     -2.5242462411      2.6303855747
18
# ORCA AIMD Position Step 1490, t=1490.00 fs, E_Pot=-685.23761640 Hartree, Unit is Angstrom
 C      0.1776512748     -1.5731683143      3.2031584868
 C     -0.4416337822     -0.5266742008      3.3499815103
 C     -1.1399008144      0.6059716074      3.0980012289
 C     -1.7244629735      1.5159363440      2.5662695474
 C     -2.0962372332      2.3951105152      1.6331312176
 C     -2.1707250393      2.9766518619      0.5875337835
 C     -1.8431845413      3.3757762813     -0.7115695417
 C     -1.3625800224      3.1191599607     -1.8086765255
 C     -0.8021317461      2.2895642133     -2.7366660430
 C     -0.3381978711      1.3073259590     -3.2947085637
 C      0.2803208544      0.0898622662     -3.6130007758
 C      0.7512391623     -1.0258726123     -3.4762356254
 C      1.3439829021     -2.0717574773     -2.8414392501
 C      1.8313480015     -2.7360872626     -1.9635157143
 C      2.0360125741     -3.3214129994     -0.7288656924
 C      1.9574953182     -3.3484072608      0.4549696940
 C      1.4805821008     -3.1422374729      1.7198541111
 C      0.9314022038     -2.5305290464      2.6308493359
18
# ORCA AIMD Position Step 1491, t=1491.00 fs, E_Pot=-685.23849322 Hartree, Unit is Angstrom
 C      0.1782322890     -1.5789265243      3.2006632908
 C     -0.4420398785     -0.5309643069      3.3402066075
 C     -1.1384352552      0.5976162522      3.0983538026
 C     -1.7181038523      1.5190436330      2.5608179738
 C     -2.0989985853      2.4022872248      1.6371894184
 C     -2.1700616525      2.9723879847      0.5806484412
 C     -1.8445319152      3.3747793747     -0.7066909541
 C     -1.3580014858      3.1262663995     -1.8062636513
 C     -0.7953572753      2.2920613268     -2.7307927147
 C     -0.3405782808      1.3116374569     -3.2877105369
 C      0.2837760380      0.0987202009     -3.6082171114
 C      0.7510242560     -1.0254328988     -3.4747387921
 C      1.3462593774     -2.0770550932     -2.8416096362
 C      1.8273499332     -2.7311247224     -1.9631194930
 C      2.0362474664     -3.3210835349     -0.7338736546
 C      1.9508965830     -3.3531549048      0.4561281567
 C      1.4763357761     -3.1423674279      1.7143160469
 C      0.9278966965     -2.5374533665      2.6303593396
18
# ORCA AIMD Position Step 1492, t=1492.00 fs, E_Pot=-685.23933080 Hartree, Unit is Angstrom
 C      0.1783944941     -1.5837436777      3.1985235171
 C     -0.4421196506     -0.5360578962      3.3303912880
 C     -1.1371111495      0.5891874742      3.0988404142
 C     -1.7114715024      1.5216714686      2.5558990323
 C     -2.1019441132      2.4095498625      1.6414660753
 C     -2.1690383955      2.9693702357      0.5720177311
 C     -1.8458554197      3.3729581660     -0.7016951921
 C     -1.3537259806      3.1330449446     -1.8031608706
 C     -0.7887135969      2.2947136048     -2.7249910257
 C     -0.3421635996      1.3149189459     -3.2811138597
 C      0.2866423522      0.1080347155     -3.6029158372
 C      0.7507317399     -1.0241396127     -3.4731025458
 C      1.3480408023     -2.0813269883     -2.8429915400
 C      1.8238423122     -2.7276267928     -1.9611750053
 C      2.0365864569     -3.3199939769     -0.7413124404
 C      1.9438500319     -3.3582890863      0.4593896567
 C      1.4720552817     -3.1420105773      1.7092795462
 C      0.9248475629     -2.5449998050      2.6289070020
18
# ORCA AIMD Position Step 1493, t=1493.00 fs, E_Pot=-685.23970027 Hartree, Unit is Angstrom
 C      0.1782113054     -1.5877536041      3.1967070057
 C     -0.4418660522     -0.5419693548      3.3206097338
 C     -1.1362578104      0.5812886549      3.0991432099
 C     -1.7043559006      1.5234074717      2.5517600608
 C     -2.1050501373      2.4170219646      1.6456108692
 C     -2.1677217408      2.9673319302      0.5623742280
 C     -1.8470255697      3.3703958069     -0.6970001098
 C     -1.3497579086      3.1394309204     -1.7993477506
 C     -0.7824017933      2.2978693027     -2.7190545308
 C     -0.3428066743      1.3169527970     -3.2750631015
 C      0.2890764866      0.1173395225     -3.5970806188
 C      0.7502850757     -1.0217488628     -3.4713045752
 C      1.3490903641     -2.0841919631     -2.8459513563
 C      1.8209731061     -2.7257560111     -1.9575434035
 C      2.0369693474     -3.3182698068     -0.7500759495
 C      1.9365193573     -3.3637708260      0.4636063039
 C      1.4677550217     -3.1412742218      1.7048156402
 C      0.9221547872     -2.5530183543      2.6266370371
18
# ORCA AIMD Position Step 1494, t=1494.00 fs, E_Pot=-685.23937397 Hartree, Unit is Angstrom
 C      0.1778564943     -1.5912456418      3.1951372211
 C     -0.4413583822     -0.5485706333      3.3109325416
 C     -1.1360962981      0.5743571577      3.0990286568
 C     -1.6966479803      1.5240112718      2.5485168325
 C     -2.1082777635      2.4248148070      1.6492529578
 C     -2.1661899457      2.9659453971      0.5525852523
 C     -1.8479365099      3.3672196089     -0.6929938730
 C     -1.3460557687      3.1453381007     -1.7948979014
 C     -0.7765583593      2.3017518904     -2.7128425871
 C     -0.3424493445      1.3176926738     -3.2696119788
 C      0.2912153602      0.1262347528     -3.5907202473
 C      0.7496443087     -1.0181009983     -3.4693137009
 C      1.3493355765     -2.0855059628     -2.8505620653
 C      1.8187144596     -2.7254001196     -1.9524729125
 C      2.0373337542     -3.3161030993     -0.7588576765
 C      1.9290905649     -3.3695544679      0.4675209965
 C      1.4634964037     -3.1403184164      1.7009027600
 C      0.9196230814     -2.5612558434      2.6238237182
18
# ORCA AIMD Position Step 1495, t=1495.00 fs, E_Pot=-685.23839558 Hartree, Unit is Angstrom
 C      0.1775596285     -1.5946008757      3.1937156735
 C     -0.4407483388     -0.5556166754      3.3014204441
 C     -1.1367217171      0.5686252061      3.0983607689
 C     -1.6883514508      1.5234449945      2.5461379279
 C     -2.1115635768      2.4329779635      1.6520909519
 C     -2.1645314464      2.9648779236      0.5435371844
 C     -1.8485181937      3.3635923544     -0.6900013930
 C     -1.3425369872      3.1506699527     -1.7899691499
 C     -0.7712330755      2.3064164966     -2.7063125638
 C     -0.3411334276      1.3172921002     -3.2647057619
 C      0.2931663324      0.1344178821     -3.5838677991
 C      0.7488121898     -1.0131398415     -3.4670902127
 C      1.3488652250     -2.0853603830     -2.8566012214
 C      1.8168716781     -2.7261936761     -1.9465731057
 C      2.0376299172     -3.3137288644     -0.7663914393
 C      1.9217391884     -3.3755932237      0.4700135026
 C      1.4593814268     -3.1393378546      1.6974291441
 C      0.9170046090     -2.5694083046      2.6208182595
18
# ORCA AIMD Position Step 1496, t=1496.00 fs, E_Pot=-685.23707080 Hartree, Unit is Angstrom
 C      0.1775544057     -1.5982130888      3.1923467946
 C     -0.4402310209     -0.5627944298      3.2921209155
 C     -1.1381071285      0.5641184677      3.0970985495
 C     -1.6795795757      1.5218700150      2.5444551453
 C     -2.1148175099      2.4414701299      1.6539545546
 C     -2.1628372018      2.9638395611      0.5360235854
 C     -1.8487450692      3.3596968061     -0.6882500587
 C     -1.3390867099      3.1553298963     -1.7847864269
 C     -0.7663860775      2.3117422680     -2.6995295039
 C     -0.3389934112      1.3160982484     -3.2601856572
 C      0.2950016762      0.1416970240     -3.5765778113
 C      0.7478360375     -1.0069203141     -3.4645882381
 C      1.3478841974     -2.0840217043     -2.8636235537
 C      1.8151368048     -2.7276023135     -1.9406974709
 C      2.0378282495     -3.3113904783     -0.7716336931
 C      1.9146039979     -3.3818439029      0.4702669307
 C      1.4555365046     -3.1385388001      1.6942130891
 C      0.9140499684     -2.5771802484      2.6179818227
18
# ORCA AIMD Position Step 1497, t=1497.00 fs, E_Pot=-685.23587043 Hartree, Unit is Angstrom
 C      0.1780242216     -1.6024059062      3.1909599987
 C     -0.4400035554     -0.5697900952      3.2830677061
 C     -1.1401243896      0.5606854189      3.0952816431
 C     -1.6705380032      1.5196161744      2.5431940843
 C     -2.1179247814      2.4501528712      1.6548333940
 C     -2.1611915322      2.9626204925      0.5306523383
 C     -1.8486441004      3.3557170910     -0.6878379432
 C     -1.3355687189      3.1592304176     -1.7796196002
 C     -0.7619023975      2.3174621302     -2.6926551817
 C     -0.3362321484      1.3146048400     -3.2558145801
 C      0.2967586240      0.1479882332     -3.5689210912
 C      0.7468031961     -0.9996018611     -3.4617589928
 C      1.3466549567     -2.0818451391     -2.8710687251
 C      1.8131591901     -2.7290369474     -1.9357754479
 C      2.0379181970     -3.3093032481     -0.7738892909
 C      1.9077686985     -3.3882677856      0.4678491644
 C      1.4520896742     -3.1381131494      1.6910427673
 C      0.9105611136     -2.5843404274      2.6156162292
18
# ORCA AIMD Position Step 1498, t=1498.00 fs, E_Pot=-685.23518932 Hartree, Unit is Angstrom
 C      0.1790573523     -1.6073597513      3.1895265692
 C     -0.4402257371     -0.5763534545      3.2742869743
 C     -1.1425748640      0.5580471978      3.0930079764
 C     -1.6614989665      1.5171309499      2.5420198686
 C     -2.1207528812      2.4587995659      1.6548736120
 C     -2.1596627712      2.9611158063      0.5277839871
 C     -1.8482944725      3.3518189708     -0.6887139833
 C     -1.3318436659      3.1623041221     -1.7747596073
 C     -0.7576126572      2.3232063062     -2.6859254402
 C     -0.3330948319      1.3133935837     -3.2513142943
 C      0.2984429791      0.1533014121     -3.5609804684
 C      0.7458327846     -0.9914347297     -3.4585597337
 C      1.3454416781     -2.0792025639     -2.8783586021
 C      1.8106155452     -2.7299617497     -1.9326461190
 C      2.0379041616     -3.3076122222     -0.7728989832
 C      1.9012587139     -3.3948336918      0.4627389585
 C      1.4491403084     -3.1382065993      1.6877327134
 C      0.9064398936     -2.5907733415      2.6138957523
18
# ORCA AIMD Position Step 1499, t=1499.00 fs, E_Pot=-685.23507317 Hartree, Unit is Angstrom
 C      0.1806210154     -1.6130679333      3.1880668764
 C     -0.4409905422     -0.5823421563      3.2658035570
 C     -1.1452240315      0.5558572148      3.0904075806
 C     -1.6527690290      1.5149156056      2.5405875656
 C     -2.1231616906      2.4671127725      1.6543639863
 C     -2.1582952579      2.9593400953      0.5274865367
 C     -1.8478228664      3.3481331325     -0.6906703555
 C     -1.3277863533      3.1645136085     -1.7704905694
 C     -0.7533246787      2.3285679576     -2.6796134609
 C     -0.3298285264      1.3130420060     -3.2464161160
 C      0.3000294691      0.1577277349     -3.5528436668
 C      0.7450657571     -0.9827372613     -3.4549596840
 C      1.3444668062     -2.0764205145     -2.8849807465
 C      1.8072653794     -2.7299823904     -1.9319140592
 C      2.0377993875     -3.3063596648     -0.7688983935
 C      1.8950435596     -3.4015186496      0.4553153778
 C      1.4467374259     -3.1389024063      1.6841695516
 C      0.9017153517     -2.5965035141      2.6128307404
18
# ORCA AIMD Position Step 1500, t=1500.00 fs, E_Pot=-685.23516809 Hartree, Unit is Angstrom
 C      0.1825532798     -1.6193257467      3.1866530191
 C     -0.4423011429     -0.5877528480      3.2576379518
 C     -1.1478456456      0.5537732826      3.0876148214
 C     -1.6446436919      1.5134459791      2.5385892132
 C     -2.1250185589      2.4747547103      1.6537180806
 C     -2.1571075278      2.9574182747      0.5295342210
 C     -1.8473879576      3.3447522898     -0.6933826531
 C     -1.3232956914      3.1658494152     -1.7670522545
 C     -0.7488587890      2.3331738058     -2.6739917591
 C     -0.3266524064      1.3140576539     -3.2408945029
 C      0.3014709213      0.1614191570     -3.5446047908
 C      0.7446498073     -0.9738724730     -3.4509455775
 C      1.3438941159     -2.0737484689     -2.8905376942
 C      1.8029818994     -2.7288930350     -1.9338620311
 C      2.0376216930     -3.3054732817     -0.7626423672
 C      1.8890407229     -3.4083096789      0.4463289981
 C      1.4448613485     -3.1402124446      1.6803509613
 C      0.8965510822     -2.6016953954      2.6122491866
18
# ORCA AIMD Position Step 1501, t=1501.00 fs, E_Pot=-685.23498750 Hartree, Unit is Angstrom
 C      0.1846022967     -1.6257876258      3.1853861270
 C     -0.4440900264     -0.5926941069      3.2498115289
 C     -1.1502532990      0.5515158834      3.0847330410
 C     -1.6373714276      1.5131089805      2.5357984664
 C     -2.1262043200      2.4813709697      1.6534341733
 C     -2.1560935580      2.9555764432      0.5334328297
 C     -1.8471587582      3.3417163675     -0.6964411377
 C     -1.3183080224      3.1663395969     -1.7646205841
 C     -0.7440761438      2.3367516478     -2.6692774237
 C     -0.3237068282      1.3167714880     -3.2346159299
 C      0.3026874592      0.1645980705     -3.5363422308
 C      0.7447367550     -0.9652208587     -3.4465173349
 C      1.3437982982     -2.0713155339     -2.8947998591
 C      1.7977662306     -2.7266987243     -1.9384258536
 C      2.0373980063     -3.3047674552     -0.7553481927
 C      1.8831210290     -3.4152177510      0.4368455278
 C      1.4434335568     -3.1420917342      1.6763623070
 C      0.8912073613     -2.6066184195      2.6118485551
18
# ORCA AIMD Position Step 1502, t=1502.00 fs, E_Pot=-685.23436246 Hartree, Unit is Angstrom
 C      0.1864674650     -1.6320342398      3.1843812008
 C     -0.4462406958     -0.5973505380      3.2423395721
 C     -1.1523348586      0.5489282395      3.0818064548
 C     -1.6311050032      1.5141217117      2.5321078346
 C     -2.1266278197      2.4866422072      1.6540322237
 C     -2.1552303788      2.9540946188      0.5385194894
 C     -1.8472822572      3.3390224778     -0.6994454372
 C     -1.3128099474      3.1660462319     -1.7632620262
 C     -0.7388994034      2.3391851486     -2.6656021742
 C     -0.3210357379      1.3212965908     -3.2275542719
 C      0.3035859198      0.1675210875     -3.5281151340
 C      0.7454604268     -0.9571343136     -3.4416874708
 C      1.3441670382     -2.0691238202     -2.8977240430
 C      1.7917375730     -2.7235937616     -1.9452289965
 C      2.0371652972     -3.3039791693     -0.7485284918
 C      1.8771257504     -3.4222805066      0.4280920680
 C      1.4423287482     -3.1444600762      1.6723661993
 C      0.8859941745     -2.6115977719      2.6112506576
18
# ORCA AIMD Position Step 1503, t=1503.00 fs, E_Pot=-685.23367727 Hartree, Unit is Angstrom
 C      0.1878633195     -1.6376689591      3.1837402700
 C     -0.4486264046     -0.6019213547      3.2352323499
 C     -1.1540623555      0.5460019779      3.0788047163
 C     -1.6258860880      1.5164980916      2.5275449314
 C     -2.1262312781      2.4903230911      1.6559716890
 C     -2.1544856963      2.9532602090      0.5440856301
 C     -1.8478565084      3.3366308863     -0.7020717620
 C     -1.3068447181      3.1650614273     -1.7629205044
 C     -0.7333318464      2.3405508065     -2.6629829758
 C     -0.3185672174      1.3274890266     -3.2198075916
 C      0.3040673552      0.1704523301     -3.5199570706
 C      0.7469262392     -0.9499000610     -3.4364775660
 C      1.3448979288     -2.0670379147     -2.8994644041
 C      1.7851166522     -2.7199277142     -1.9536523172
 C      2.0369633684     -3.3028193635     -0.7437180410
 C      1.8708949620     -3.4295554630      0.4212382099
 C      1.4414048451     -3.1472321293      1.6685558684
 C      0.8812041906     -2.6169432667      2.6100900779
18
# ORCA AIMD Position Step 1504, t=1504.00 fs, E_Pot=-685.23353474 Hartree, Unit is Angstrom
 C      0.1885754312     -1.6424001797      3.1835286247
 C     -0.4511448676     -0.6065611573      3.2284997824
 C     -1.1554829361      0.5428704718      3.0756281673
 C     -1.6216486882      1.5200436803      2.5222724306
 C     -2.1249956041      2.4922839170      1.6595566809
 C     -2.1538254264      2.9533155404      0.5495070786
 C     -1.8489129789      3.3344776471     -0.7041210973
 C     -1.3005170624      3.1635007061     -1.7634155127
 C     -0.7274685473      2.3411327751     -2.6613127185
 C     -0.3161150444      1.3349442243     -3.2116017773
 C      0.3040450956      0.1736190628     -3.5118803852
 C      0.7491952688     -0.9437056287     -3.4309200985
 C      1.3458106399     -2.0647996340     -2.9003549905
 C      1.7782019273     -2.7161633866     -1.9629165145
 C      2.0368125523     -3.3010323856     -0.7421468733
 C      1.8643126100     -3.4370954737      0.4171191800
 C      1.4405313070     -3.1503413813      1.6651180363
 C      0.8770563069     -2.6228795367      2.6080926193
18
# ORCA AIMD Position Step 1505, t=1505.00 fs, E_Pot=-685.23412657 Hartree, Unit is Angstrom
 C      0.1884987033     -1.6460983939      3.1837583993
 C     -0.4537406489     -0.6113375580      3.2221540928
 C     -1.1566943381      0.5397707034      3.0721332500
 C     -1.6182370934      1.5243827474      2.5165686792
 C     -2.1229468543      2.4925473644      1.6648530091
 C     -2.1532181554      2.9544119583      0.5543535682
 C     -1.8504135424      3.3324893311     -0.7055367322
 C     -1.2939895763      3.1614958146     -1.7644585576
 C     -0.7214955057      2.3414085488     -2.6603704221
 C     -0.3134025961      1.3430298702     -3.2032771505
 C      0.3034690351      0.1771620447     -3.5038884131
 C      0.7522667019     -0.9386090900     -3.4250633626
 C      1.3466751831     -2.0620692877     -2.9008622207
 C      1.7713385125     -2.7128232966     -1.9721703030
 C      2.0366833826     -3.2984538083     -0.7444462305
 C      1.8573564087     -3.4449142272      0.4159824424
 C      1.4396116846     -3.1537548505      1.6622064576
 C      0.8736542909     -2.6294899376      2.6051343261
18
# ORCA AIMD Position Step 1506, t=1506.00 fs, E_Pot=-685.23496496 Hartree, Unit is Angstrom
 C      0.1876560106     -1.6488217578      3.1843791515
 C     -0.4564214901     -0.6162027278      3.2162110342
 C     -1.1578097374      0.5369795910      3.0681619053
 C     -1.6154360632      1.5290093100      2.5107989845
 C     -2.1201610144      2.4913109491      1.6716329166
 C     -2.1526342295      2.9565862163      0.5584492783
 C     -1.8522601055      3.3305889070     -0.7063775658
 C     -1.2874739840      3.1591948562     -1.7656839814
 C     -0.7156629819      2.3419876279     -2.6598558010
 C     -0.3100974819      1.3509610447     -3.1952536717
 C      0.3023393845      0.1811054842     -3.4959796896
 C      0.7560680939     -0.9345169556     -3.4189776151
 C      1.3472584884     -2.0585003602     -2.9014925311
 C      1.7648691998     -2.7104163987     -1.9806072589
 C      2.0364771886     -3.2950476604     -0.7505029165
 C      1.8501242182     -3.4529626841      0.4173776309
 C      1.4385990393     -3.1574797745      1.6599152584
 C      0.8709680462     -2.6366957060      2.6012740408
18
# ORCA AIMD Position Step 1507, t=1507.00 fs, E_Pot=-685.23531689 Hartree, Unit is Angstrom
 C      0.1861857952     -1.6508014426      3.1852855493
 C     -0.4592561715     -0.6210042606      3.2106807312
 C     -1.1589251086      0.5347411987      3.0635770681
 C     -1.6130016187      1.5333643141      2.5053635511
 C     -2.1167614202      2.4889387836      1.6793983751
 C     -2.1520444882      2.9597600288      0.5618717555
 C     -1.8543200100      3.3287060175     -0.7067762100
 C     -1.2812026384      3.1567507263     -1.7666946865
 C     -0.7102358766      2.3435085821     -2.6594493063
 C     -0.3058696841      1.3579375747     -3.1879582823
 C      0.3007176689      0.1853459077     -3.4881522891
 C      0.7604570721     -0.9311843647     -3.4127515745
 C      1.3473803573     -2.0538242158     -2.9026825829
 C      1.7590762259     -2.7093539075     -1.9875923107
 C      2.0360342698     -3.2909126608     -0.7595354624
 C      1.8428166230     -3.4611302491      0.4202588841
 C      1.4375026667     -3.1615672897      1.6582604529
 C      0.8688359826     -2.6442666986      2.5967471822
18
# ORCA AIMD Position Step 1508, t=1508.00 fs, E_Pot=-685.23485166 Hartree, Unit is Angstrom
 C      0.1843029606     -1.6523875569      3.1863344276
 C     -0.4623603996     -0.6255191670      3.2055627476
 C     -1.1600917804      0.5332053592      3.0582904219
 C     -1.6106944256      1.5369175759      2.5006434245
 C     -2.1129060867      2.4859156639      1.6874670680
 C     -2.1514165521      2.9637689072      0.5648879595
 C     -1.8564585974      3.3267828949     -0.7068809796
 C     -1.2754009060      3.1543121274     -1.7671108098
 C     -0.7054281011      2.3465025589     -2.6588937871
 C     -0.3004572541      1.3633089377     -3.1817379991
 C      0.2987219673      0.1896756426     -3.4804060758
 C      0.7652388317     -0.9282501654     -3.4064846152
 C      1.3469644454     -2.0479317488     -2.9046898232
 C      1.7541274150     -2.7098704336     -1.9927752291
 C      2.0351681483     -3.2862533352     -0.7703518590
 C      1.8356858880     -3.4692682459      0.4232685925
 C      1.4363868609     -3.1661098677      1.6571698347
 C      0.8669937984     -2.6518661207      2.5919237171
18
# ORCA AIMD Position Step 1509, t=1509.00 fs, E_Pot=-685.23383775 Hartree, Unit is Angstrom
 C      0.1822459610     -1.6539693760      3.1873687995
 C     -0.4658678303     -0.6295042331      3.2008458896
 C     -1.1612999155      0.5323892180      3.0522797131
 C     -1.6083166562      1.5392424640      2.4969522070
 C     -2.1087685337      2.4827772872      1.6950914308
 C     -2.1507141838      2.9684060029      0.5678526298
 C     -1.8585652358      3.3247792984     -0.7067995585
 C     -1.2702652175      3.1520158703     -1.7666081573
 C     -0.7013418980      2.3512592516     -2.6580698655
 C     -0.2937270444      1.3667246659     -3.1767845727
 C      0.2965081135      0.1938245309     -3.4727479464
 C      0.7701928452     -0.9252943748     -3.4002806676
 C      1.3460663212     -2.0409238727     -2.9075264020
 C      1.7500493581     -2.7119791170     -1.9961465802
 C      2.0337055862     -3.2813349126     -0.7816479992
 C      1.8289769797     -3.4772180103      0.4250590910
 C      1.4353589908     -3.1712301918      1.6564873029
 C      0.8651250274     -2.6591111278      2.5872405441
18
# ORCA AIMD Position Step 1510, t=1510.00 fs, E_Pot=-685.23282467 Hartree, Unit is Angstrom
 C      0.1802221850     -1.6558891166      3.1882401248
 C     -0.4698915506     -0.6327543352      3.1965123205
 C     -1.1624749163      0.5321635746      3.0455970396
 C     -1.6057439738      1.5400768394      2.4944976309
 C     -2.1045141318      2.4800341606      1.7015764444
 C     -2.1498987143      2.9734653640      0.5711081515
 C     -1.8605722029      3.3226744647     -0.7065601247
 C     -1.2659489841      3.1499798260     -1.7649454959
 C     -0.6979343153      2.3577481846     -2.6570384688
 C     -0.2857125308      1.3682214734     -3.1730947256
 C      0.2942470298      0.1975100246     -3.4651989307
 C      0.7751031610     -0.9219082095     -3.3942420761
 C      1.3448667952     -2.0331113770     -2.9109587570
 C      1.7467353912     -2.7154756684     -1.9980190966
 C      2.0315153927     -3.2764412750     -0.7922325895
 C      1.8228836927     -3.4848301440      0.4245359336
 C      1.4345471301     -3.1770604294      1.6559951823
 C      0.8629204355     -2.6656369195      2.5831210968
18
# ORCA AIMD Position Step 1511, t=1511.00 fs, E_Pot=-685.23225715 Hartree, Unit is Angstrom
 C      0.1783618736     -1.6583706976      3.1888230317
 C     -0.4744887879     -0.6351563396      3.1925446455
 C     -1.1634817649      0.5322614945      3.0383698163
 C     -1.6029483577      1.5393661409      2.4933549194
 C     -2.1002772341      2.4781005904      1.7063727882
 C     -2.1489317617      2.9787742249      0.5749105655
 C     -1.8624612646      3.3204675890     -0.7060971051
 C     -1.2625568033      3.1482970065     -1.7619812357
 C     -0.6950230174      2.3656271994     -2.6560287149
 C     -0.2766146080      1.3682157496     -3.1704817256
 C      0.2921015080      0.2004837029     -3.4577998090
 C      0.7797861562     -0.9177603000     -3.3884656780
 C      1.3436351416     -2.0249665365     -2.9145679080
 C      1.7439846281     -2.7199865430     -1.9989444292
 C      2.0285214500     -3.2718426503     -0.8011586552
 C      1.8175261167     -3.4919727854      0.4209971375
 C      1.4340686166     -3.1837136066      1.6554530845
 C      0.8601373084     -2.6711552614      2.5798958624
18
# ORCA AIMD Position Step 1512, t=1512.00 fs, E_Pot=-685.23230292 Hartree, Unit is Angstrom
 C      0.1766875867     -1.6614688242      3.1890293390
 C     -0.4796284797     -0.6367329507      3.1889302576
 C     -1.1641422073      0.5323075044      3.0307946478
 C     -1.6000088347      1.5372828713      2.4934513100
 C     -2.0961442330      2.4772428337      1.7091456746
 C     -2.1477797051      2.9842099977      0.5793836655
 C     -1.8642633856      3.3181804484     -0.7052583614
 C     -1.2601358862      3.1470254363     -1.7576842136
 C     -0.6923273173      2.3743234140     -2.6553828895
 C     -0.2667724668      1.3674209317     -3.1686228981
 C      0.2902080262      0.2025667183     -3.4506146999
 C      0.7841128500     -0.9126512658     -3.3830364595
 C      1.3426787344     -2.0170446165     -2.9178429035
 C      1.7415515647     -2.7250415508     -1.9995946682
 C      2.0247072499     -3.2677716547     -0.8077968573
 C      1.8129416209     -3.4985352568      0.4141917548
 C      1.4339926831     -3.1912489405      1.6546551496
 C      0.8566536644     -2.6755062981      2.5777249675
18
# ORCA AIMD Position Step 1513, t=1513.00 fs, E_Pot=-685.23286959 Hartree, Unit is Angstrom
 C      0.1751090150     -1.6650574657      3.1888124062
 C     -0.4851808809     -0.6376585985      3.1856655240
 C     -1.1642597137      0.5318670533      3.0231157451
 C     -1.5971042261      1.5342099873      2.4945773950
 C     -2.0921438669      2.4775520689      1.7098041662
 C     -2.1464211813      2.9897095398      0.5845098489
 C     -1.8660444367      3.3158535928     -0.7038364923
 C     -1.2586735778      3.1461812064     -1.7521345532
 C     -0.6895315785      2.3831654996     -2.6554686481
 C     -0.2566037034      1.3667056084     -3.1671347866
 C      0.2886594096      0.2036771020     -3.4437257622
 C      0.7880259664     -0.9065471213     -3.3780223660
 C      1.3422894136     -2.0098933442     -2.9202781340
 C      1.7391973011     -2.7301573094     -2.0006386649
 C      2.0201085836     -3.2644020130     -0.8118673296
 C      1.8090904233     -3.5044342056      0.4043106773
 C      1.4343100068     -3.1996449654      1.6534795298
 C      0.8525002025     -2.6786907323      2.5765548398
18
# ORCA AIMD Position Step 1514, t=1514.00 fs, E_Pot=-685.23369152 Hartree, Unit is Angstrom
 C      0.1734405760     -1.6688574535      3.1881682972
 C     -0.4909262250     -0.6382481122      3.1827556205
 C     -1.1636565910      0.5305224540      3.0155894421
 C     -1.5944796565      1.5306733379      2.4964258828
 C     -2.0882502930      2.4789450049      1.7085023237
 C     -2.1448514818      2.9952694368      0.5901419996
 C     -1.8678866392      3.3135433618     -0.7016172126
 C     -1.2581003459      3.1457347587     -1.7455113295
 C     -0.6863492859      2.3915199295     -2.6565957960
 C     -0.2465369573      1.3669433749     -3.1656441988
 C      0.2874956484      0.2038450107     -3.4372230326
 C      0.7915468166     -0.8995871350     -3.3734665134
 C      1.3427013089     -2.0039729888     -2.9214534396
 C      1.7367271476     -2.7349082377     -2.0026379266
 C      2.0148063411     -3.2618280416     -0.8134598598
 C      1.8058633990     -3.5096276002      0.3919433188
 C      1.4349181056     -3.2087873720      1.6519237744
 C      0.8478640559     -2.6808779352      2.5761104939
18
# ORCA AIMD Position Step 1515, t=1515.00 fs, E_Pot=-685.23445535 Hartree, Unit is Angstrom
 C      0.1714424258     -1.6725023305      3.1871259266
 C     -0.4965882012     -0.6389091313      3.1802156278
 C     -1.1622090447      0.5279494091      3.0084402740
 C     -1.5923978163      1.5272427849      2.4986547932
 C     -2.0843940491      2.4811920955      1.7056021481
 C     -2.1430881300      3.0009474478      0.5960335458
 C     -1.8698663961      3.3113107119     -0.6984252410
 C     -1.2582980220      3.1456131439     -1.7380736849
 C     -0.6825768924      2.3989045643     -2.6589461810
 C     -0.2369419413      1.3688689442     -3.1638507440
 C      0.2866913092      0.2032278450     -3.4311889799
 C      0.7947775940     -0.8920711406     -3.3693851030
 C      1.3440564957     -1.9995914171     -2.9210929417
 C      1.7340223089     -2.7389882401     -2.0059647093
 C      2.0089117021     -3.2600499137     -0.8130336160
 C      1.8030980685     -3.5141267984      0.3780088519
 C      1.4356332806     -3.2184853081      1.6500942925
 C      0.8430548797     -2.6823741629      2.5759479921
18
# ORCA AIMD Position Step 1516, t=1516.00 fs, E_Pot=-685.23488476 Hartree, Unit is Angstrom
 C      0.1688740466     -1.6756236923      3.1857328574
 C     -0.5018772364     -0.6400788379      3.1780674590
 C     -1.1598801886      0.5239951145      3.0018193281
 C     -1.5910828884      1.5244134040      2.5009567222
 C     -2.0804804738      2.4839619412      1.7016188345
 C     -2.1411709301      3.0068528654      0.6018752644
 C     -1.8720344551      3.3092160413     -0.6941645960
 C     -1.2591159989      3.1457085843     -1.7301315081
 C     -0.6781275927      2.4050604217     -2.6625357368
 C     -0.2280780955      1.3729727895     -3.1615667881
 C      0.2861544009      0.2021117881     -3.4256862839
 C      0.7978905970     -0.8844284800     -3.3657661822
 C      1.3463891089     -1.9968631835     -2.9191007619
 C      1.7310533426     -2.7422485354     -2.0107563205
 C      2.0025576778     -3.2589703398     -0.8113851282
 C      1.8005930796     -3.5180068899      0.3636709772
 C      1.4362218335     -3.2285005056      1.6481740184
 C      0.8384461755     -2.6835648940      2.5755354040
18
# ORCA AIMD Position Step 1517, t=1517.00 fs, E_Pot=-685.23485007 Hartree, Unit is Angstrom
 C      0.1655515598     -1.6779395512      3.1840367862
 C     -0.5065321364     -0.6421588913      3.1763353586
 C     -1.1567442193      0.5187370963      2.9957733837
 C     -1.5906724837      1.5224987439      2.5031157128
 C     -2.0764088743      2.4868782476      1.6971527837
 C     -2.1391597359      3.0131265270      0.6073465094
 C     -1.8744040139      3.3073178354     -0.6888485543
 C     -1.2603865358      3.1458875642     -1.7220120540
 C     -0.6730470897      2.4099855472     -2.6672061266
 C     -0.2200646533      1.3794386397     -3.1587375564
 C      0.2857396291      0.2008861011     -3.4207510398
 C      0.8011018913     -0.8771583409     -3.3625758651
 C      1.3496233924     -1.9956933525     -2.9155782863
 C      1.7278846197     -2.7447200687     -2.0169000870
 C      1.9958867094     -3.2584108560     -0.8095528342
 C      1.7981285357     -3.5214028904      0.3502198175
 C      1.4364365109     -3.2385811293      1.6463776638
 C      0.8344076760     -2.6848417488      2.5743440803
18
# ORCA AIMD Position Step 1518, t=1518.00 fs, E_Pot=-685.23443282 Hartree, Unit is Angstrom
 C      0.1613968806     -1.6793308026      3.1820689813
 C     -0.5103659248     -0.6454458892      3.1750432031
 C     -1.1529847419      0.5124879854      2.9902402241
 C     -1.5911900120      1.5215749525      2.5050391740
 C     -2.0720908898      2.4895768675      1.6928077943
 C     -2.1371293462      3.0199157082      0.6121629271
 C     -1.8769435444      3.3056703001     -0.6826053813
 C     -1.2619441431      3.1460064280     -1.7140266187
 C     -0.6675147384      2.4139407270     -2.6726369178
 C     -0.2128669890      1.3881124831     -3.1554460604
 C      0.2852776619      0.1999903730     -3.4163901587
 C      0.8046355886     -0.8707604208     -3.3597589168
 C      1.3535791318     -1.9957691902     -2.9108361240
 C      1.7246630250     -2.7466116873     -2.0240486342
 C      1.9890413057     -3.2581547748     -0.8086577380
 C      1.7954901820     -3.5244863812      0.3389121829
 C      1.4360614335     -3.2485011017      1.6449035108
 C      0.8312386610     -2.6865316551      2.5719376894
18
# ORCA AIMD Position Step 1519, t=1519.00 fs, E_Pot=-685.23390407 Hartree, Unit is Angstrom
 C      0.1564757207     -1.6799011474      3.1798213767
 C     -0.5132992335     -0.6500712495      3.1742111430
 C     -1.1488645679      0.5057353998      2.9850727331
 C     -1.5925538310      1.5214971980      2.5067474827
 C     -2.0674598087      2.4917484861      1.6891121624
 C     -2.1351615721      3.0273440273      0.6161412587
 C     -1.8795771332      3.3043215513     -0.6756736996
 C     -1.2636419403      3.1459255233     -1.7064528072
 C     -0.6618299914      2.4174294411     -2.6783689721
 C     -0.2063049972      1.3985206552     -3.1519057023
 C      0.2846060999      0.1998508446     -3.4125826940
 C      0.8086865841     -0.8656548998     -3.3572558663
 C      1.3579873043     -1.9965908716     -2.9053728685
 C      1.7216100133     -2.7483007646     -2.0316592923
 C      1.9821333774     -3.2580004716     -0.8096743027
 C      1.7925080788     -3.5274246694      0.3307788519
 C      1.4349381793     -3.2580855527      1.6438825399
 C      0.8291195127     -2.6888344315      2.5680437153
18
# ORCA AIMD Position Step 1520, t=1520.00 fs, E_Pot=-685.23354482 Hartree, Unit is Angstrom
 C      0.1510079772     -1.6799907077      3.1772421587
 C     -0.5153806965     -0.6559646306      3.1738516699
 C     -1.1446839313      0.4990536032      2.9800792575
 C     -1.5946014958      1.5219541090      2.5083455453
 C     -2.0624793018      2.4931798533      1.6864462236
 C     -2.1333381262      3.0354765498      0.6192577613
 C     -1.8821886490      3.3033157087     -0.6683926829
 C     -1.2653652397      3.1455239382     -1.6995141219
 C     -0.6563797580      2.4211339215     -2.6838551128
 C     -0.2000881439      1.4099439271     -3.1484277461
 C      0.2836175379      0.2007875910     -3.4092867432
 C      0.8133740007     -0.8620954129     -3.3550148710
 C      1.3625248670     -1.9975330139     -2.8998206488
 C      1.7189899253     -2.7502802048     -2.0390805436
 C      1.9752239943     -3.2578301809     -0.8131795598
 C      1.7890899466     -3.5303306080      0.3264135272
 C      1.4329839588     -3.2672246515      1.6433557960
 C      0.8280899118     -2.6917963144      2.5625861369
18
# ORCA AIMD Position Step 1521, t=1521.00 fs, E_Pot=-685.23345763 Hartree, Unit is Angstrom
 C      0.1453485372     -1.6801429310      3.1742446144
 C     -0.5167870347     -0.6628496850      3.1739662771
 C     -1.1407351957      0.4930067180      2.9750674582
 C     -1.5971234248      1.5225456939      2.5099818254
 C     -2.0571480453      2.4937815165      1.6849958085
 C     -2.1317341648      3.0442889605      0.6216882789
 C     -1.8846335782      3.3026972280     -0.6611814608
 C     -1.2670371958      3.1447130790     -1.6933664308
 C     -0.6515860722      2.4258058281     -2.6885338212
 C     -0.1938738943      1.4215430055     -3.1453670429
 C      0.2823044591      0.2029271930     -3.4064485583
 C      0.8186999306     -0.8600985694     -3.3530003505
 C      1.3668657368     -1.9979412639     -2.8948546571
 C      1.7170615179     -2.7530689840     -2.0456743392
 C      1.9683165265     -3.2576661102     -0.8191683353
 C      1.7852415324     -3.5332232010      0.3258202047
 C      1.4302026209     -3.2758818559      1.6432707748
 C      0.8280468925     -2.6953108778      2.5556911582
18
# ORCA AIMD Position Step 1522, t=1522.00 fs, E_Pot=-685.23358816 Hartree, Unit is Angstrom
 C      0.1399438203     -1.6810347639      3.1707185629
 C     -0.5178022873     -0.6702707925      3.1745427966
 C     -1.1372555346      0.4880447021      2.9698868405
 C     -1.5999045229      1.5228731982      2.5118060990
 C     -2.0514981150      2.4935907827      1.6847449250
 C     -2.1304108403      3.0536649775      0.6237915736
 C     -1.8867571535      3.3025084742     -0.6544909816
 C     -1.2686198733      3.1434438878     -1.6880994625
 C     -0.6478314222      2.4321196365     -2.6919128912
 C     -0.1873414833      1.4325244585     -3.1430525015
 C      0.2807713275      0.2061773975     -3.4040105531
 C      0.8245383296     -0.8594274372     -3.3512020169
 C      1.3707414397     -1.9972604053     -2.8910637183
 C      1.7160258762     -2.7571017067     -2.0509548353
 C      1.9613629055     -3.2576795181     -0.8270341925
 C      1.7810619354     -3.5360231499      0.3284225127
 C      1.4266837793     -3.2840946731      1.6434787642
 C      0.8287609629     -2.6991396435      2.5476707706
18
# ORCA AIMD Position Step 1523, t=1523.00 fs, E_Pot=-685.23388472 Hartree, Unit is Angstrom
 C      0.1352586627     -1.6833638623      3.1665488003
 C     -0.5187672927     -0.6776715641      3.1755550776
 C     -1.1343949474      0.4844340760      2.9644562964
 C     -1.6027599292      1.5226147609      2.5139346625
 C     -2.0455879331      2.4927498021      1.6855109606
 C     -2.1294092148      3.0634154004      0.6260476178
 C     -1.8884173904      3.3027870297     -0.6487436746
 C     -1.2701088287      3.1417095474     -1.6837443611
 C     -0.6453760265      2.4405106873     -2.6936577991
 C     -0.1802714166      1.4423199551     -3.1417106289
 C      0.2792187725      0.2102550685     -3.4019189337
 C      0.8306534895     -0.8596306675     -3.3496369011
 C      1.3739984504     -1.9951615395     -2.8888206781
 C      1.7159761849     -2.7626134523     -2.0547178353
 C      1.9542878467     -3.2581567493     -0.8357153178
 C      1.7767144096     -3.5385841456      0.3332229092
 C      1.4225926992     -3.2919696851      1.6437477248
 C      0.8299088644     -2.7029517847      2.5389806213
18
# ORCA AIMD Position Step 1524, t=1524.00 fs, E_Pot=-685.23435250 Hartree, Unit is Angstrom
 C      0.1316850883     -1.6877091517      3.1616346895
 C     -0.5200038822     -0.6845136461      3.1769641220
 C     -1.1322011843      0.4822263159      2.9587771927
 C     -1.6055617937      1.5215807419      2.5164264548
 C     -2.0394917979      2.4914657094      1.6870108838
 C     -2.1287467490      3.0733126761      0.6289578876
 C     -1.8895061342      3.3035634482     -0.6442650703
 C     -1.2715249055      3.1395440883     -1.6802859262
 C     -0.6442932523      2.4510519674     -2.6936565590
 C     -0.1726050625      1.4507131785     -3.1414100517
 C      0.2779019262      0.2147653484     -3.4001296246
 C      0.8367434849     -0.8601285643     -3.3483453394
 C      1.3766285109     -1.9916225399     -2.8882017600
 C      1.7168736721     -2.7695671438     -2.0571043541
 C      1.9470190774     -3.2594362884     -0.8439411938
 C      1.7723859309     -3.5407440400      0.3390461742
 C      1.4181486814     -3.2996662241      1.6437903110
 C      0.8311187987     -2.7063771070      2.5301573463
18
# ORCA AIMD Position Step 1525, t=1525.00 fs, E_Pot=-685.23500705 Hartree, Unit is Angstrom
 C      0.1294529659     -1.6943942835      3.1559092379
 C     -0.5217330561     -0.6904062461      3.1787189941
 C     -1.1306214090      0.4812599632      2.9529330008
 C     -1.6082548478      1.5197434871      2.5192698729
 C     -2.0332880620      2.4899636419      1.6889365409
 C     -2.1284151259      3.0831326487      0.6329378625
 C     -1.8899678370      3.3048581539     -0.6412221967
 C     -1.2729048270      3.1370181893     -1.6776767025
 C     -0.6444468121      2.4634186766     -2.6920394310
 C     -0.1644612655      1.4578687193     -3.1420484891
 C      0.2770778859      0.2193014023     -3.3986106046
 C      0.8424951295     -0.8603189548     -3.3473823757
 C      1.3787609501     -1.9869282359     -2.8889880917
 C      1.7185604223     -2.7776581003     -2.0585636143
 C      1.9395076561     -3.2618406929     -0.8504904484
 C      1.7682510404     -3.5423693899      0.3447721713
 C      1.4135907324     -3.3073684593      1.6433083232
 C      0.8320269876     -2.7090666581      2.5217412245
18
# ORCA AIMD Position Step 1526, t=1526.00 fs, E_Pot=-685.23578586 Hartree, Unit is Angstrom
 C      0.1285686641     -1.7033931539      3.1493581044
 C     -0.5240153401     -0.6952039312      3.1807560500
 C     -1.1295173576      0.4811917121      2.9470783951
 C     -1.6108577263      1.5172373580      2.5223826590
 C     -2.0270502385      2.4884434264      1.6910182021
 C     -2.1283776446      3.0926903615      0.6382320813
 C     -1.8898138121      3.3066770261     -0.6395886521
 C     -1.2742972260      3.1342359836     -1.6758458325
 C     -0.6455118592      2.4769565398     -2.6891479045
 C     -0.1561033365      1.4642531508     -3.1433863602
 C      0.2769599952      0.2235367659     -3.3973408472
 C      0.8476321458     -0.8596750544     -3.3468055096
 C      1.3806240768     -1.9815909843     -2.8907426272
 C      1.7207999278     -2.7863937422     -2.0597246198
 C      1.9317359327     -3.2656162322     -0.8544025192
 C      1.7644453909     -3.5433851018      0.3495032089
 C      1.4091368847     -3.3152445532      1.6420518310
 C      0.8323375729     -2.7107598671      2.5141875049
18
# ORCA AIMD Position Step 1527, t=1527.00 fs, E_Pot=-685.23655797 Hartree, Unit is Angstrom
 C      0.1288005726     -1.7143110420      3.1420328071
 C     -0.5267355620     -0.6990344983      3.1829986281
 C     -1.1286896852      0.4815506749      2.9414162959
 C     -1.6134520544      1.5143309897      2.5256270382
 C     -2.0208395827      2.4870542460      1.6930654040
 C     -2.1285754917      3.1018622040      0.6448706142
 C     -1.8891168875      3.3090129908     -0.6391406992
 C     -1.2757588476      3.1313289724     -1.6747005927
 C     -0.6470419757      2.4908151296     -2.6854702502
 C     -0.1478726025      1.4704856968     -3.1451100888
 C      0.2776848392      0.2272899486     -3.3963070249
 C      0.8519560330     -0.8578191052     -3.3466622063
 C      1.3824841106     -1.9762273091     -2.8929275238
 C      1.7233366091     -2.7952128144     -2.0612253317
 C      1.9237116996     -3.2708927090     -0.8551256222
 C      1.7610560840     -3.5437843244      0.3526566102
 C      1.4049382376     -3.3234052384      1.6398810699
 C      0.8318811467     -2.7113459450      2.5077844917
18
# ORCA AIMD Position Step 1528, t=1528.00 fs, E_Pot=-685.23710885 Hartree, Unit is Angstrom
 C      0.1297170875     -1.7264455493      3.1340589215
 C     -0.5296378630     -0.7022522024      3.1853584430
 C     -1.1279123897      0.4818121892      2.9361671101
 C     -1.6161570407      1.5113692903      2.5288376056
 C     -2.0147037611      2.4858846575      1.6949782123
 C     -2.1289331727      3.1105927482      0.6526794145
 C     -1.8879983461      3.3118476108     -0.6394972226
 C     -1.2773564487      3.1284500464     -1.6741254926
 C     -0.6485417315      2.5040980190     -2.6815625832
 C     -0.1401154238      1.4771847090     -3.1468997495
 C      0.2792998609      0.2305515054     -3.3954987644
 C      0.8553672841     -0.8545622339     -3.3469786342
 C      1.3845901472     -1.9714333781     -2.8950135816
 C      1.7259434541     -2.8036004655     -2.0635624776
 C      1.9154596936     -3.2776629749     -0.8525938628
 C      1.7581183723     -3.5436258297      0.3539949127
 C      1.4010483603     -3.3318703332      1.6368124925
 C      0.8306542544     -2.7109076632      2.5025958600
18
# ORCA AIMD Position Step 1529, t=1529.00 fs, E_Pot=-685.23720796 Hartree, Unit is Angstrom
 C      0.1307597148     -1.7389050616      3.1256328681
 C     -0.5323911123     -0.7053400067      3.1877405747
 C     -1.1269740490      0.4814856678      2.9315332139
 C     -1.6190921661      1.5086918582      2.5318593685
 C     -2.0086780371      2.4849692993      1.6967377684
 C     -2.1293692006      3.1188883517      0.6613294087
 C     -1.8866017075      3.3151536754     -0.6401915304
 C     -1.2791698332      3.1257648754     -1.6739781982
 C     -0.6495362258      2.5159895438     -2.6779746842
 C     -0.1331260284      1.4848511020     -3.1484816032
 C      0.2817691217      0.2334757433     -3.3949045365
 C      0.8578706794     -0.8499126738     -3.3477522675
 C      1.3871322747     -1.9676877407     -2.8965610798
 C      1.7284517162     -2.8111668051     -2.0670029680
 C      1.9070176549     -3.2857857724     -0.8472344112
 C      1.7556192231     -3.5430263567      0.3536166433
 C      1.3974137029     -3.3405568542      1.6330298581
 C      0.8288278161     -2.7097309951      2.4984479712
18
# ORCA AIMD Position Step 1530, t=1530.00 fs, E_Pot=-685.23672982 Hartree, Unit is Angstrom
 C      0.1313281410     -1.7507433130      3.1170052416
 C     -0.5346609643     -0.7088007522      3.1900491470
 C     -1.1257160067      0.4801965069      2.9276662804
 C     -1.6223373990      1.5065439346      2.5345881968
 C     -2.0027904529      2.4843101838      1.6983776869
 C     -2.1298061932      3.1268001962      0.6704127435
 C     -1.8850651156      3.3188994231     -0.6407504978
 C     -1.2812914100      3.1234432149     -1.6740917531
 C     -0.6496240212      2.5258393068     -2.6751893079
 C     -0.1271089263      1.4937971413     -3.1496625511
 C      0.2849898650      0.2363525157     -3.3945093750
 C      0.8595626311     -0.8440513596     -3.3489512335
 C      1.3902212517     -1.9652974190     -2.8972630930
 C      1.7307598122     -2.8176822857     -2.0715648029
 C      1.8984379118     -3.2950081376     -0.8399117253
 C      1.7535039449     -3.5421524525      0.3519162117
 C      1.3938925628     -3.3492941815      1.6288588156
 C      0.8267155824     -2.7082714902      2.4949717824
18
# ORCA AIMD Position Step 1531, t=1531.00 fs, E_Pot=-685.23579409 Hartree, Unit is Angstrom
 C      0.1308635947     -1.7610921355      3.1084519425
 C     -0.5361716952     -0.7130592943      3.1921951547
 C     -1.1240605504      0.4777389754      2.9246477846
 C     -1.6259013167      1.5050097514      2.5369991917
 C     -1.9970672481      2.4839010564      1.6999472957
 C     -2.1301747255      3.1344066224      0.6795086908
 C     -1.8835037986      3.3230472746     -0.6407557211
 C     -1.2838150123      3.1216401162     -1.6742962113
 C     -0.6485223648      2.5332273617     -2.6735589010
 C     -0.1221596663      1.5041199386     -3.1503491142
 C      0.2888142150      0.2395621032     -3.3942947481
 C      0.8606187902     -0.8373070958     -3.3505119911
 C      1.3938784256     -1.9643699753     -2.8969659618
 C      1.7328264774     -2.8230771675     -2.0770510085
 C      1.8897874491     -3.3050020740     -0.8318212796
 C      1.7516879553     -3.5412054421      0.3495281748
 C      1.3902957815     -3.3578653471      1.6247005837
 C      0.8247101524     -2.7070763937      2.4916917385
18
# ORCA AIMD Position Step 1532, t=1532.00 fs, E_Pot=-685.23479142 Hartree, Unit is Angstrom
 C      0.1289268871     -1.7692746614      3.1002334296
 C     -0.5367483589     -0.7183972735      3.1941047424
 C     -1.1220279817      0.4741090595      2.9224801860
 C     -1.6297034356      1.5039796333      2.5391574048
 C     -1.9915363775      2.4837437356      1.7014882350
 C     -2.1304193248      3.1417931010      0.6882446129
 C     -1.8819900824      3.3275551164     -0.6398976619
 C     -1.2868243333      3.1204822359     -1.6744374968
 C     -0.6461039373      2.5380017707     -2.6732586640
 C     -0.1182553414      1.5156902122     -3.1505571213
 C      0.2930784538      0.2435163832     -3.3942391626
 C      0.8612624733     -0.8300968470     -3.3523459396
 C      1.3980402695     -1.9648151913     -2.8956707609
 C      1.7346601431     -2.8274240465     -2.0831123204
 C      1.8811475949     -3.3154147819     -0.8243211650
 C      1.7500733050     -3.5404039475      0.3472215565
 C      1.3864289193     -3.3660486801      1.6209664506
 C      0.8232025409     -2.7066888569      2.4881291807
18
# ORCA AIMD Position Step 1533, t=1533.00 fs, E_Pot=-685.23420966 Hartree, Unit is Angstrom
 C      0.1252621753     -1.7748986259      3.0925501933
 C     -0.5363406705     -0.7249042753      3.1957230699
 C     -1.1197269445      0.4694836788      2.9210981214
 C     -1.6335809361      1.5031684805      2.5412038081
 C     -1.9862297775      2.4838594055      1.7030166112
 C     -2.1304986037      3.1490319133      0.6963320509
 C     -1.8805500735      3.3323771018     -0.6379933157
 C     -1.2903750948      3.1200533378     -1.6744044485
 C     -0.6424238677      2.5403027638     -2.6742531168
 C     -0.1152515569      1.5281501525     -3.1504151277
 C      0.2976289881      0.2486006670     -3.3943194425
 C      0.8617334956     -0.8228685098     -3.3543468735
 C      1.4025683543     -1.9663632405     -2.8935229946
 C      1.7363067742     -2.8309119971     -2.0893095374
 C      1.8726053543     -3.3259159302     -0.8187317046
 C      1.7485704139     -3.5399594578      0.3457568329
 C      1.3821370013     -3.3736613271      1.6180082517
 C      0.8224934985     -2.7075398546      2.4839155245
18
# ORCA AIMD Position Step 1534, t=1534.00 fs, E_Pot=-685.23425697 Hartree, Unit is Angstrom
 C      0.1198497428     -1.7779240990      3.0855059509
 C     -0.5350372019     -0.7324486662      3.1970186755
 C     -1.1173295222      0.4641674340      2.9203912679
 C     -1.6373137755      1.5021778187      2.5433211767
 C     -1.9811842297      2.4842831056      1.7045219760
 C     -2.1303823885      3.1561687806      0.7035817377
 C     -1.8791705928      3.3374629576     -0.6349838926
 C     -1.2944769566      3.1203871372     -1.6741488791
 C     -0.6377337553      2.5405677698     -2.6762846177
 C     -0.1128847810      1.5409224891     -3.1501617872
 C      0.3023476285      0.2551102687     -3.3945127920
 C      0.8622550189     -0.8160382178     -3.3563969577
 C      1.4072636606     -1.9685993206     -2.8907891397
 C      1.7378371569     -2.8338129277     -2.0951704746
 C      1.8642445410     -3.3362386400     -0.8161192551
 C      1.7471189298     -3.5400495150      0.3457107394
 C      1.3773351099     -3.3805924807      1.6160645286
 C      0.8227210944     -2.7098561346      2.4788826776
18
# ORCA AIMD Position Step 1535, t=1535.00 fs, E_Pot=-685.23466611 Hartree, Unit is Angstrom
 C      0.1129345908     -1.7786991619      3.0790853978
 C     -0.5330756448     -0.7406600635      3.1979860515
 C     -1.1150386253      0.4585263611      2.9202315313
 C     -1.6406617388      1.5005743651      2.5456961889
 C     -1.9764370077      2.4850581034      1.7059715135
 C     -2.1300496426      3.1632144650      0.7099022862
 C     -1.8778001927      3.3427558190     -0.6309253866
 C     -1.2990989116      3.1214709914     -1.6736752535
 C     -0.6324663572      2.5395047958     -2.6788950446
 C     -0.1107876808      1.5532421189     -3.1501327970
 C      0.3071781512      0.2631917025     -3.3947973983
 C      0.8629957424     -0.8099204365     -3.3583789564
 C      1.4118927721     -1.9710181472     -2.8878181024
 C      1.7393353009     -2.8364445029     -2.1002426697
 C      1.8561222249     -3.3462204743     -0.8170751638
 C      1.7457100945     -3.5407851446      0.3472830018
 C      1.3720344324     -3.3868283069      1.6152226209
 C      0.8238182774     -2.7136060210      2.4731175675
18
# ORCA AIMD Position Step 1536, t=1536.00 fs, E_Pot=-685.23480060 Hartree, Unit is Angstrom
 C      0.1050062945     -1.7779333479      3.0731583531
 C     -0.5308306050     -0.7489448340      3.1986488060
 C     -1.1130495453      0.4529136061      2.9204987378
 C     -1.6434064797      1.4979815849      2.5484739927
 C     -1.9720186199      2.4862131814      1.7073324154
 C     -2.1294858838      3.1701474017      0.7152951855
 C     -1.8763643505      3.3481993127     -0.6259650517
 C     -1.3041726415      3.1232538834     -1.6730304523
 C     -0.6271808707      2.5380032221     -2.6814911431
 C     -0.1085305064      1.5642550650     -3.1507199105
 C      0.3121445634      0.2727972015     -3.3951565014
 C      0.8640494326     -0.8046780508     -3.3601842581
 C      1.4162178574     -1.9730958878     -2.8849833836
 C      1.7408798226     -2.8391139887     -2.1041569372
 C      1.8482611667     -3.3558186560     -0.8215987300
 C      1.7443891051     -3.5422020828      0.3502014940
 C      1.3663455527     -3.3924673978      1.6153983485
 C      0.8255131422     -2.7184991997      2.4669624184
18
# ORCA AIMD Position Step 1537, t=1537.00 fs, E_Pot=-685.23422722 Hartree, Unit is Angstrom
 C      0.0967237297     -1.7765936038      3.0675092011
 C     -0.5287743464     -0.7565518251      3.1990585380
 C     -1.1115197827      0.4476085701      2.9211014653
 C     -1.6453887755      1.4941536395      2.5517247338
 C     -1.9679436834      2.4877438985      1.7085940607
 C     -2.1286811774      3.1769225281      0.7198401485
 C     -1.8747762313      3.3537429783     -0.6203125214
 C     -1.3096097582      3.1256632827     -1.6722795271
 C     -0.6224680373      2.5369833826     -2.6834479155
 C     -0.1056932969      1.5731719746     -3.1523041573
 C      0.3173583253      0.2836747741     -3.3955820599
 C      0.8654282707     -0.8003021104     -3.3617220434
 C      1.4200328485     -1.9743711222     -2.8826140039
 C      1.7425238208     -2.8420555321     -2.1066887268
 C      1.8406496366     -3.3651033763     -0.8291295546
 C      1.7432410802     -3.5442715668      0.3537671201
 C      1.3604684519     -3.3977200876      1.6163399213
 C      0.8273744975     -2.7240443522      2.4609605097
18
# ORCA AIMD Position Step 1538, t=1538.00 fs, E_Pot=-685.23318642 Hartree, Unit is Angstrom
 C      0.0887934244     -1.7757308315      3.0618868589
 C     -0.5274011376     -0.7626906748      3.1992867156
 C     -1.1105498195      0.4427794356      2.9219900065
 C     -1.6465321793      1.4890231357      2.5554236514
 C     -1.9642077473      2.4895996836      1.7097848127
 C     -2.1276274537      3.1834809691      0.7236726669
 C     -1.8729491170      3.3593486062     -0.6142069036
 C     -1.3153177182      3.1286209985     -1.6714831874
 C     -0.6188326957      2.5372059513     -2.6842318713
 C     -0.1019607195      1.5794517710     -3.1551690523
 C      0.3230067680      0.2953927032     -3.3960789009
 C      0.8670775560     -0.7966314767     -3.3629225435
 C      1.4231901058     -1.9745155657     -2.8809350865
 C      1.7442780346     -2.8453750411     -2.1078011911
 C      1.8332546171     -3.3742265947     -0.8387177438
 C      1.7423638623     -3.5469276309      0.3570278941
 C      1.3546646381     -3.4028822899      1.6176611750
 C      0.8288915302     -2.7296468474      2.4557610200
18
# ORCA AIMD Position Step 1539, t=1539.00 fs, E_Pot=-685.23243016 Hartree, Unit is Angstrom
 C      0.0818312343     -1.7762720300      3.0560623720
 C     -0.5271299424     -0.7666930018      3.1994090201
 C     -1.1101766701      0.4384752367      2.9231594824
 C     -1.6468533139      1.4827198995      2.5594494318
 C     -1.9607865787      2.4916763985      1.7109760855
 C     -2.1263175357      3.1897585988      0.7269592948
 C     -1.8708049323      3.3649890909     -0.6078901482
 C     -1.3212113070      3.1320572446     -1.6706852100
 C     -0.6165887315      2.5390956491     -2.6835060694
 C     -0.0972142479      1.5829644883     -3.1594193933
 C      0.3293269367      0.3073896062     -3.3966678460
 C      0.8689030027     -0.7934106776     -3.3637355295
 C      1.4256139168     -1.9733734157     -2.8800326956
 C      1.7461003694     -2.8490150177     -2.1076576191
 C      1.8260403655     -3.3833795252     -0.8492471342
 C      1.7418409565     -3.5500932478      0.3590009842
 C      1.3492170853     -3.4082811266      1.6189037581
 C      0.8295680562     -2.7347254372      2.4519998335
18
# ORCA AIMD Position Step 1540, t=1540.00 fs, E_Pot=-685.23259378 Hartree, Unit is Angstrom
 C      0.0762396705     -1.7788109756      3.0498886139
 C     -0.5282000896     -0.7681845852      3.1994841299
 C     -1.1103819463      0.4346377296      2.9246463598
 C     -1.6464544668      1.4755651231      2.5635875659
 C     -1.9576440052      2.4938235022      1.7122781098
 C     -2.1247429500      3.1956842099      0.7298742937
 C     -1.8682868939      3.3706472077     -0.6015853892
 C     -1.3272114231      3.1359122148     -1.6699123008
 C     -0.6158008331      2.5426480905     -2.6811891724
 C     -0.0915839714      1.5840645198     -3.1649348624
 C      0.3365665747      0.3190352299     -3.3973841222
 C      0.8708030598     -0.7903592808     -3.3641293204
 C      1.4272971369     -1.9709623660     -2.8798507866
 C      1.7478993238     -2.8527574931     -2.1065967796
 C      1.8189920273     -3.3927394943     -0.8596462096
 C      1.7417138150     -3.5537083821      0.3588799910
 C      1.3443735868     -3.4141928972      1.6196291245
 C      0.8290186997     -2.7388336978      2.4501632945
18
# ORCA AIMD Position Step 1541, t=1541.00 fs, E_Pot=-685.23358937 Hartree, Unit is Angstrom
 C      0.0721130721     -1.7834591386      3.0433396028
 C     -0.5305958477     -0.7672163085      3.1995337224
 C     -1.1110998180      0.4311325880      2.9265120477
 C     -1.6455147005      1.4680433554      2.5675585772
 C     -1.9547366157      2.4958582662      1.7138227440
 C     -2.1228971703      3.2011819847      0.7325812473
 C     -1.8653634915      3.3763107976     -0.5954801678
 C     -1.3332406117      3.1401318955     -1.6691804771
 C     -0.6162981198      2.5474564143     -2.6774473581
 C     -0.0854325709      1.5835378101     -3.1713815745
 C      0.3449430489      0.3297045870     -3.3982753239
 C      0.8727005547     -0.7872431891     -3.3640840802
 C      1.4282877945     -1.9674501477     -2.8802137816
 C      1.7495440645     -2.8562593034     -2.1050792846
 C      1.8121167484     -3.4024476337     -0.8690422974
 C      1.7419761170     -3.5577221198      0.3561695188
 C      1.3402989852     -3.4207689321      1.6195053606
 C      0.8270568006     -2.7417561899      2.4504822617
18
# ORCA AIMD Position Step 1542, t=1542.00 fs, E_Pot=-685.23472507 Hartree, Unit is Angstrom
 C      0.0692274325     -1.7898205392      3.0365243391
 C     -0.5340377134     -0.7642877945      3.1995373617
 C     -1.1122411994      0.4277899016      2.9288296042
 C     -1.6442626113      1.4607405261      2.5710495046
 C     -1.9520208458      2.4975891432      1.7157415331
 C     -2.1207725867      3.2061747667      0.7352261867
 C     -1.8620336232      3.3819728739     -0.5897095377
 C     -1.3392202148      3.1446653425     -1.6685069266
 C     -0.6177426291      2.5528462541     -2.6726273538
 C     -0.0792724809      1.5824330138     -3.1782835124
 C      0.3546087097      0.3388666427     -3.3993926706
 C      0.8745637907     -0.7839222417     -3.3635919418
 C      1.4286718039     -1.9631032329     -2.8808678499
 C      1.7508866369     -2.8591189780     -2.1036063921
 C      1.8054468098     -3.4125814149     -0.8768749006
 C      1.7425639052     -3.5621046223      0.3507597158
 C      1.3370321570     -3.4279805108      1.6183765979
 C      0.8237429331     -2.7435754033      2.4528527928
18
# ORCA AIMD Position Step 1543, t=1543.00 fs, E_Pot=-685.23525419 Hartree, Unit is Angstrom
 C      0.0671044082     -1.7971069910      3.0296621861
 C     -0.5380541741     -0.7602381026      3.1994435943
 C     -1.1137194178      0.4244549548      2.9316629924
 C     -1.6429413753      1.4542557729      2.5737602258
 C     -1.9494550788      2.4988420336      1.7181428014
 C     -2.1183598071      3.2105917032      0.7379355172
 C     -1.8583217339      3.3876322891     -0.5843461825
 C     -1.3450731436      3.1494661939     -1.6679159853
 C     -0.6197263847      2.5580542948     -2.6671579258
 C     -0.0736491428      1.5818355634     -3.1851244612
 C      0.3656299009      0.3461736168     -3.4007814760
 C      0.8764165889     -0.7803713208     -3.3626545497
 C      1.4285536356     -1.9582325065     -2.8815314424
 C      1.7517841077     -2.8609513835     -2.1026335518
 C      1.7990279621     -3.4231495820     -0.8829549195
 C      1.7433652144     -3.5668458280      0.3429256815
 C      1.3344851696     -3.4356233336      1.6162731238
 C      0.8193755050     -2.7446682678      2.4568478615
18
# ORCA AIMD Position Step 1544, t=1544.00 fs, E_Pot=-685.23492984 Hartree, Unit is Angstrom
 C      0.0651336822     -1.8043397795      3.0230366905
 C     -0.5420963757     -0.7560561958      3.1991904595
 C     -1.1154795345      0.4210402612      2.9350494077
 C     -1.6417668067      1.4491061237      2.5754463126
 C     -1.9470041905      2.4994854135      1.7210906039
 C     -2.1156459381      3.2143704675      0.7408196796
 C     -1.8542687148      3.3932931133     -0.5794043410
 C     -1.3507288262      3.1544954289     -1.6674394857
 C     -0.6218587286      2.5623794032     -2.6614588333
 C     -0.0690353325      1.5826638130     -3.1914404459
 C      0.3779767017      0.3515261277     -3.4024714958
 C      0.8783354995     -0.7766756860     -3.3612817027
 C      1.4280403793     -1.9531447995     -2.8819386862
 C      1.7521148505     -2.8614495207     -2.1025023272
 C      1.7929105212     -3.4340934337     -0.8874682072
 C      1.7442342237     -3.5719577992      0.3332707953
 C      1.3324747965     -3.4433688472      1.6133683199
 C      0.8144277167     -2.7456316600      2.4618056469
18
# ORCA AIMD Position Step 1545, t=1545.00 fs, E_Pot=-685.23413877 Hartree, Unit is Angstrom
 C      0.0627054607     -1.8105602127      3.0169412759
 C     -0.5456481291     -0.7526901138      3.1987252104
 C     -1.1175219340      0.4175676061      2.9389854706
 C     -1.6408882751      1.4456447515      2.5759538691
 C     -1.9446464912      2.4994522651      1.7245881823
 C     -2.1126130226      3.2174534252      0.7439784224
 C     -1.8499209346      3.3989612499     -0.5748558828
 C     -1.3561262997      3.1597222036     -1.6671106427
 C     -0.6238271510      2.5652770548     -2.6558785412
 C     -0.0657608222      1.5855343018     -3.1968793047
 C      0.3915205807      0.3550972712     -3.4044714983
 C      0.8804365722     -0.7730065988     -3.3594910596
 C      1.4272316179     -1.9481096186     -2.8818685000
 C      1.7517882525     -2.8604213949     -2.1034059665
 C      1.7871438101     -3.4452956264     -0.8909219461
 C      1.7450097674     -3.5774734188      0.3226318376
 C      1.3307704626     -3.4508357565      1.6099108356
 C      0.8094528863     -2.7471636800      2.4669591444
18
# ORCA AIMD Position Step 1546, t=1546.00 fs, E_Pot=-685.23363758 Hartree, Unit is Angstrom
 C      0.0593251911     -1.8150028700      3.0116263443
 C     -0.5483055516     -0.7509010161      3.1980163798
 C     -1.1199129650      0.4141884330      2.9434199302
 C     -1.6403611262      1.4440023532      2.5752435706
 C     -1.9423776716      2.4987530903      1.7285676661
 C     -2.1092407201      3.2197861658      0.7475061947
 C     -1.8453203293      3.4046371422     -0.5706592647
 C     -1.3612176177      3.1651249299     -1.6669511910
 C     -0.6254261168      2.5664017217     -2.6506621925
 C     -0.0639820160      1.5907073776     -3.2012257326
 C      0.4060422755      0.3573056087     -3.4067678307
 C      0.8828541538     -0.7695809336     -3.3573098845
 C      1.4262123457     -1.9433435498     -2.8811633394
 C      1.7507507177     -2.8578048461     -2.1053849195
 C      1.7817723454     -3.4565944547     -0.8940320674
 C      1.7455364906     -3.5834399834      0.3119505548
 C      1.3291379221     -3.4576528485      1.6061662493
 C      0.8049837579     -2.7499336920      2.4715651092
18
# ORCA AIMD Position Step 1547, t=1547.00 fs, E_Pot=-685.23410407 Hartree, Unit is Angstrom
 C      0.0547062245     -1.8172220797      3.0072555111
 C     -0.5498286395     -0.7511665238      3.1970574735
 C     -1.1227707036      0.4111656325      2.9482560849
 C     -1.6401425757      1.4440738199      2.5733974122
 C     -1.9402147759      2.4974808419      1.7328882969
 C     -2.1055089367      3.2213161688      0.7514841239
 C     -1.8405047824      3.4103105324     -0.5667687905
 C     -1.3659593176      3.1706830237     -1.6669738026
 C     -0.6265716254      2.5656213975     -2.6459373275
 C     -0.0636773326      1.5980862160     -3.2044024651
 C      0.4212436290      0.3587593924     -3.4093271374
 C      0.8857215646     -0.7666290134     -3.3547724343
 C      1.4250476096     -1.9389940044     -2.8797457592
 C      1.7489867897     -2.8536697070     -2.1083397112
 C      1.7768363756     -3.4678027664     -0.8975837488
 C      1.7456789346     -3.5899063228      0.3021463091
 C      1.3273774350     -3.4635058885      1.6023699715
 C      0.8014397368     -2.7544613745      2.4750109467
18
# ORCA AIMD Position Step 1548, t=1548.00 fs, E_Pot=-685.23570327 Hartree, Unit is Angstrom
 C      0.0488279427     -1.8171708220      3.0038749096
 C     -0.5501715442     -0.7536182859      3.1958670548
 C     -1.1262344671      0.4088243742      2.9533629009
 C     -1.6401048525      1.4455365293      2.5706136575
 C     -1.9381947254      2.4958047343      1.7373462809
 C     -2.1014030436      3.2220013160      0.7559641608
 C     -1.8355086357      3.4159565147     -0.5631447084
 C     -1.3703091382      3.1763695912     -1.6671776757
 C     -0.6273054041      2.5630218685     -2.6417095601
 C     -0.0646564796      1.6072523258     -3.2064653945
 C      0.4367724393      0.3601632066     -3.4121007485
 C      0.8891443429     -0.7643442038     -3.3519244077
 C      1.4237795501     -1.9351302115     -2.8776290387
 C      1.7465237257     -2.8482222411     -2.1120440240
 C      1.7723698591     -3.4787278707     -0.9022625092
 C      1.7453342896     -3.5969042979      0.2939659531
 C      1.3253488143     -3.4681678788      1.5986965100
 C      0.7990596209     -2.7610276814      2.4768881059
18
# ORCA AIMD Position Step 1549, t=1549.00 fs, E_Pot=-685.23788942 Hartree, Unit is Angstrom
 C      0.0419509206     -1.8152266285      3.0013971301
 C     -0.5494902429     -0.7580189669      3.1944874232
 C     -1.1304306779      0.4074850443      2.9585924312
 C     -1.6400598348      1.4478983127      2.5671871180
 C     -1.9363692294      2.4939519968      1.7417008868
 C     -2.0969194606      3.2218234036      0.7609604060
 C     -1.8303594357      3.4215365688     -0.5597684724
 C     -1.3742289904      3.1821505093     -1.6675439488
 C     -0.6277917394      2.5589002991     -2.6378614828
 C     -0.0665849415      1.6175405372     -3.2075940078
 C      0.4522729157      0.3621844752     -3.4150299748
 C      0.8931767819     -0.7628247764     -3.3488252546
 C      1.4224212889     -1.9317281557     -2.8749229041
 C      1.7434356711     -2.8417914942     -2.1161783117
 C      1.7683950503     -3.4892035220     -0.9084856556
 C      1.7444442824     -3.6044388176      0.2878369427
 C      1.3229768180     -3.4715167969      1.5952453866
 C      0.7978686165     -2.7696307480      2.4770339023
18
# ORCA AIMD Position Step 1550, t=1550.00 fs, E_Pot=-685.23962298 Hartree, Unit is Angstrom
 C      0.0345901036     -1.8121592069      2.9996122469
 C     -0.5481391724     -0.7637667696      3.1929818375
 C     -1.1354296676      0.4073717904      2.9638131478
 C     -1.6398011057      1.4505878122      2.5634655858
 C     -1.9347959617      2.4921753867      1.7457163849
 C     -2.0920611661      3.2208072008      0.7664106378
 C     -1.8250814938      3.4270023124     -0.5566187107
 C     -1.3776849137      3.1879852632     -1.6680384402
 C     -0.6283082274      2.5537425276     -2.6341583631
 C     -0.0690111832      1.6281123508     -3.2080787807
 C      0.4674346254      0.3653577006     -3.4180516964
 C      0.8978058765     -0.7620236233     -3.3455485565
 C      1.4209555668     -1.9286628656     -2.8718291189
 C      1.7398412915     -2.8348210736     -2.1203413072
 C      1.7649186236     -3.4991077626     -0.9163179200
 C      1.7429892743     -3.6124839979      0.2837857637
 C      1.3202671134     -3.4735573236      1.5920077971
 C      0.7976744654     -2.7799906596      2.4755424071
18
# ORCA AIMD Position Step 1551, t=1551.00 fs, E_Pot=-685.24000578 Hartree, Unit is Angstrom
 C      0.0274227005     -1.8090094574      2.9982278656
 C     -0.5466198442     -0.7699852501      3.1914323085
 C     -1.1412299652      0.4085705887      2.9689295424
 C     -1.6391440224      1.4530555910      2.5597974058
 C     -1.9335269557      2.4907074243      1.7492058764
 C     -2.0868376392      3.2190275472      0.7721779146
 C     -1.8196944828      3.4323069746     -0.5536677627
 C     -1.3806492451      3.1938310334     -1.6686188152
 C     -0.6292048494      2.5481486543     -2.6302854823
 C     -0.0714262809      1.6380776331     -3.2082792056
 C      0.4820360027      0.3700064819     -3.4211034105
 C      0.9029494901     -0.7617241540     -3.3421803552
 C      1.4193402980     -1.9257306734     -2.8686115821
 C      1.7358892842     -2.8278169845     -2.1241045974
 C      1.7619290093     -3.5083836298     -0.9254653023
 C      1.7409842351     -3.6209877533      0.2814542151
 C      1.3173018601     -3.4744180522      1.5888575972
 C      0.7981201079     -2.7916204229      2.4727238565
18
# ORCA AIMD Position Step 1552, t=1552.00 fs, E_Pot=-685.23892938 Hartree, Unit is Angstrom
 C      0.0211695010     -1.8069104389      2.9969231426
 C     -0.5454996702     -0.7756713211      3.1899295941
 C     -1.1477505452      0.4110024546      2.9738986742
 C     -1.6379601486      1.4548659049      2.5564809539
 C     -1.9325989619      2.4897189650      1.7520701105
 C     -2.0812611531      3.2166155043      0.7780388392
 C     -1.8142162338      3.4374096020     -0.5508707764
 C     -1.3831041581      3.1996486886     -1.6692343400
 C     -0.6308457457      2.5427352740     -2.6259058887
 C     -0.0733300152      1.6466092006     -3.2085693777
 C      0.4959597498      0.3762231658     -3.4241245942
 C      0.9084648969     -0.7615436831     -3.3388192135
 C      1.4175220408     -1.9226912963     -2.8655545579
 C      1.7317395376     -2.8212954276     -2.1270538612
 C      1.7593995412     -3.5170310223     -0.9353655073
 C      1.7384664016     -3.6298830921      0.2802018548
 C      1.3142339486     -3.4743396525      1.5855494698
 C      0.7987450917     -2.8039099162      2.4690495194
18
# ORCA AIMD Position Step 1553, t=1553.00 fs, E_Pot=-685.23722742 Hartree, Unit is Angstrom
 C      0.0164576532     -1.8068638981      2.9954087233
 C     -0.5452982195     -0.7799022974      3.1885523179
 C     -1.1548375531      0.4144279443      2.9787355494
 C     -1.6361994711      1.4557633088      2.5537258453
 C     -1.9320264243      2.4892878718      1.7543210001
 C     -2.0753459441      3.2137567125      0.7836888897
 C     -1.8086644867      3.4422773217     -0.5481658810
 C     -1.3850451095      3.2054074527     -1.6698232518
 C     -0.6335334102      2.5380158041     -2.6207401812
 C     -0.0743076327      1.6530627683     -3.2092650311
 C      0.5091825253      0.3838956510     -3.4270579119
 C      0.9141689355     -0.7609735163     -3.3355741177
 C      1.4154553899     -1.9193264816     -2.8629116492
 C      1.7275396778     -2.8157192946     -2.1288381935
 C      1.7572927517     -3.5250914180     -0.9453206742
 C      1.7354850437     -3.6390983687      0.2792530841
 C      1.3112677883     -3.4736424915      1.5817446222
 C      0.7990559226     -2.8162165776      2.4650780996
18
# ORCA AIMD Position Step 1554, t=1554.00 fs, E_Pot=-685.23609696 Hartree, Unit is Angstrom
 C      0.0136910281     -1.8095158742      2.9934817884
 C     -0.5463643917     -0.7820597920      3.1873394584
 C     -1.1622773732      0.4184700172      2.9835095583
 C     -1.6339004919      1.4557075877      2.5516303176
 C     -1.9317985171      2.4893845649      1.7560854899
 C     -2.0691086897      3.2106812090      0.7887597631
 C     -1.8030596425      3.4468848948     -0.5454788739
 C     -1.3864824310      3.2110869697     -1.6703114515
 C     -0.6374333286      2.5342900519     -2.6146478795
 C     -0.0741016298      1.6570792228     -3.2105499447
 C      0.5217460451      0.3927641831     -3.4298502240
 C      0.9198655295     -0.7594484682     -3.3325588055
 C      1.4131218031     -1.9154988761     -2.8608573212
 C      1.7234028750     -2.8114363586     -2.1292175504
 C      1.7555660577     -3.5326268383     -0.9546283305
 C      1.7320928955     -3.6485639162      0.2778444124
 C      1.3086274188     -3.4726767542      1.5770647115
 C      0.7985932298     -2.8279464768      2.4613707356
18
# ORCA AIMD Position Step 1555, t=1555.00 fs, E_Pot=-685.23623038 Hartree, Unit is Angstrom
 C      0.0129619842     -1.8149934422      2.9910646248
 C     -0.5487848629     -0.7819965015      3.1862684772
 C     -1.1698116424      0.4226472708      2.9883333204
 C     -1.6311877865      1.4548733499      2.5501792777
 C     -1.9318810458      2.4898820558      1.7575827513
 C     -2.0625719773      3.2076449190      0.7928527607
 C     -1.7974291086      3.4512124719     -0.5427324566
 C     -1.3874409421      3.2166749842     -1.6706141027
 C     -0.6425206431      2.5315786683     -2.6076869174
 C     -0.0726590208      1.6586409923     -3.2124247176
 C      0.5337185262      0.4024879388     -3.4324544468
 C      0.9253731418     -0.7564316217     -3.3298832354
 C      1.4105448306     -1.9111975789     -2.8594509874
 C      1.7193919453     -2.8086314575     -2.1281005658
 C      1.7541770087     -3.5396996954     -0.9626829879
 C      1.7283413178     -3.6582114313      0.2753425306
 C      1.3065134270     -3.4717622260      1.5711713109
 C      0.7969973322     -2.8386239065      2.4583988177
18
# ORCA AIMD Position Step 1556, t=1556.00 fs, E_Pot=-685.23740762 Hartree, Unit is Angstrom
 C      0.0140348119     -1.8228678543      2.9882146465
 C     -0.5523630030     -0.7800754230      3.1852521142
 C     -1.1771572316      0.4264199714      2.9933452482
 C     -1.6282546091      1.4536100660      2.5492627630
 C     -1.9322228818      2.4905910782      1.7590768239
 C     -2.0557666054      3.2048995178      0.7955899876
 C     -1.7918089849      3.4552448250     -0.5398559170
 C     -1.3879580982      3.2221636245     -1.6706424908
 C     -0.6485708288      2.5296269689     -2.6001235939
 C     -0.0701368624      1.6580624389     -3.2147001282
 C      0.5451626149      0.4127091239     -3.4348319153
 C      0.9305507245     -0.7515004934     -3.3276408319
 C      1.4077932475     -1.9065514913     -2.8586242074
 C      1.7155129314     -2.8073020322     -2.1255623315
 C      1.7530874927     -3.5463565980     -0.9690504207
 C      1.7242775529     -3.6679742491      0.2713262058
 C      1.3050546169     -3.4711265579      1.5638571782
 C      0.7940666581     -2.8479538899      2.4564508938
18
# ORCA AIMD Position Step 1557, t=1557.00 fs, E_Pot=-685.23884057 Hartree, Unit is Angstrom
 C      0.0164114551     -1.8322711368      2.9851000248
 C     -0.5566807752     -0.7770603219      3.1841576738
 C     -1.1840394282      0.4292569235      2.9986865301
 C     -1.6253281722      1.4523620856      2.5487132083
 C     -1.9327663813      2.4913144080      1.7608123706
 C     -2.0487272547      3.2026521986      0.7966820424
 C     -1.7862397858      3.4589743223     -0.5367943256
 C     -1.3880791425      3.2275474529     -1.6703164189
 C     -0.6552052073      2.5279778700     -2.5923811598
 C     -0.0668610698      1.6559144440     -3.2170408365
 C      0.5561210790      0.4231136200     -3.4369575648
 C      0.9353235242     -0.7444214963     -3.3258919091
 C      1.4049688340     -1.9018004651     -2.8581964721
 C      1.7117173825     -2.8072662070     -2.1218321496
 C      1.7522657860     -3.5526212334     -0.9735208143
 C      1.7199404066     -3.6777951474      0.2656321178
 C      1.3042684219     -3.4708608686      1.5551136759
 C      0.7897942864     -2.8558666291      2.4555647097
18
# ORCA AIMD Position Step 1558, t=1558.00 fs, E_Pot=-685.23978749 Hartree, Unit is Angstrom
 C      0.0194536832     -1.8421140601      2.9819521140
 C     -0.5612141693     -0.7739095370      3.1828396830
 C     -1.1902321305      0.4307167387      3.0044734999
 C     -1.6226231907      1.4515603009      2.5483573960
 C     -1.9334583732      2.4919066271      1.7629491705
 C     -2.0414859173      3.2010255438      0.7959911718
 C     -1.7807580739      3.4624046397     -0.5335169021
 C     -1.3878475785      3.2328203226     -1.6695793378
 C     -0.6619744162      2.5260883751     -2.5849475192
 C     -0.0632510198      1.6529032196     -3.2190415812
 C      0.5666143320      0.4334799191     -3.4388240922
 C      0.9397001233     -0.7351932374     -3.3246495864
 C      1.4021829392     -1.8972333267     -2.8579160723
 C      1.7079142192     -2.8082051861     -2.1172504923
 C      1.7516871750     -3.5584946666     -0.9761347466
 C      1.7153547406     -3.6876367527      0.2583644660
 C      1.3040491530     -3.4709120647      1.5451451498
 C      0.7843644468     -2.8625177685      2.4555146233
18
# ORCA AIMD Position Step 1559, t=1559.00 fs, E_Pot=-685.23996335 Hartree, Unit is Angstrom
 C      0.0225117093     -1.8513104969      2.9790140180
 C     -0.5654486602     -0.7715666006      3.1811712083
 C     -1.1955905281      0.4305218527      3.0107673688
 C     -1.6202964192      1.4515125027      2.5480714940
 C     -1.9342602239      2.4923196629      1.7655138807
 C     -2.0340670911      3.2000323810      0.7935707409
 C     -1.7753897303      3.4655530801     -0.5300257949
 C     -1.3872939751      3.2379686867     -1.6684113465
 C     -0.6684468791      2.5234456181     -2.5782799526
 C     -0.0597400744      1.6497474066     -3.2203046721
 C      0.5766411678      0.4437033805     -3.4404433073
 C      0.9437751716     -0.7240529407     -3.3238740631
 C      1.3995319019     -1.8931176675     -2.8575118471
 C      1.7039886642     -2.8097256252     -2.1122110867
 C      1.7513358756     -3.5639542060     -0.9771766452
 C      1.7105284637     -3.6974890665      0.2498743125
 C      1.3041894039     -3.4711129736      1.5343273777
 C      0.7781055909     -2.8682372459      2.4558622560
18
# ORCA AIMD Position Step 1560, t=1560.00 fs, E_Pot=-685.23951210 Hartree, Unit is Angstrom
 C      0.0250252849     -1.8589481810      2.9764998727
 C     -0.5689623138     -0.7708072448      3.1790620812
 C     -1.2000679795      0.4286068331      3.0175502630
 C     -1.6184163037      1.4523233914      2.5478227202
 C     -1.9351505772      2.4926198817      1.7683860999
 C     -2.0264906794      3.1995735980      0.7896717328
 C     -1.7701450317      3.4684493046     -0.5263663938
 C     -1.3864260862      3.2429626824     -1.6668380905
 C     -0.6742766607      2.5196566762     -2.5727324217
 C     -0.0567124907      1.6470815338     -3.2204982068
 C      0.5861809384      0.4537934153     -3.4418441265
 C      0.9477156282     -0.7114453842     -3.3234767782
 C      1.3970812506     -1.8896452877     -2.8567393327
 C      1.6998220965     -2.8114231700     -2.1071064776
 C      1.7512060835     -3.5689555440     -0.9771360038
 C      1.7054529370     -3.7073693391      0.2407113266
 C      1.3044223563     -3.4712349573      1.5231333490
 C      0.7714189679     -2.8734430556      2.4560509308
18
# ORCA AIMD Position Step 1561, t=1561.00 fs, E_Pot=-685.23884411 Hartree, Unit is Angstrom
 C      0.0265895902     -1.8643910025      2.9745650621
 C     -0.5714724458     -0.7721527861      3.1764663844
 C     -1.2037132956      0.4251278859      3.0247140985
 C     -1.6169538997      1.4538619468      2.5476896527
 C     -1.9361227355      2.4929743819      1.7713193877
 C     -2.0187804108      3.1994599400      0.7847157797
 C     -1.7650148542      3.4711314131     -0.5226385137
 C     -1.3852242983      3.2477487462     -1.6649296590
 C     -0.6792459727      2.5145032531     -2.5685119485
 C     -0.0544615454      1.6453954687     -3.2193927676
 C      0.5952001120      0.4638452883     -3.4430670677
 C      0.9517350471     -0.6979610149     -3.3233331806
 C      1.3948600117     -1.8869057558     -2.8554104359
 C      1.6953091847     -2.8129286046     -2.1022908982
 C      1.7512998668     -3.5734398757     -0.9766370132
 C      1.7001093998     -3.7173176250      0.2315462054
 C      1.3044658537     -3.4710417124      1.5120583711
 C      0.7647047337     -2.8785499250      2.4555106988
18
# ORCA AIMD Position Step 1562, t=1562.00 fs, E_Pot=-685.23836960 Hartree, Unit is Angstrom
 C      0.0269877298     -1.8673248031      2.9732883484
 C     -0.5728504611     -0.7758434204      3.1733809280
 C     -1.2066496441      0.4204200027      3.0320756614
 C     -1.6157992018      1.4557977174      2.5478388178
 C     -1.9371760944      2.4936069374      1.7739983577
 C     -2.0109672909      3.1994471762      0.7792457598
 C     -1.7599748089      3.4736473005     -0.5190016123
 C     -1.3836444622      3.2522492295     -1.6627925690
 C     -0.6832809718      2.5079611326     -2.5656660071
 C     -0.0531631862      1.6449994355     -3.2168786259
 C      0.6036583661      0.4740023995     -3.4441584285
 C      0.9560635281     -0.6842618620     -3.3232977871
 C      1.3928611244     -1.8848754910     -2.8534135170
 C      1.6903694952     -2.8139436966     -2.0980530445
 C      1.7516259999     -3.5773441911     -0.9763413248
 C      1.6944753811     -3.7273841878      0.2230706364
 C      1.3040601804     -3.4703327279      1.5015587911
 C      0.7582992104     -2.8838905781      2.4537466835
18
# ORCA AIMD Position Step 1563, t=1563.00 fs, E_Pot=-685.23837510 Hartree, Unit is Angstrom
 C      0.0262046913     -1.8677747324      2.9726614144
 C     -0.5731218618     -0.7818349640      3.1698432123
 C     -1.2090422561      0.4149342444      3.0393995861
 C     -1.6147903495      1.4576671106      2.5484957892
 C     -1.9383086869      2.4947475564      1.7760997330
 C     -2.0030964263      3.1992782568      0.7738567494
 C     -1.7549850169      3.4760487139     -0.5156725339
 C     -1.3816252660      3.2563639755     -1.6605556716
 C     -0.6864553387      2.5002077326     -2.5640800298
 C     -0.0528656106      1.6460097838     -3.2129742791
 C      0.6115226612      0.4843964092     -3.4451633688
 C      0.9609134709     -0.6709893851     -3.3232237768
 C      1.3910500815     -1.8834320005     -2.8507159069
 C      1.6849552003     -2.8142547255     -2.0946086597
 C      1.7521934215     -3.5806179196     -0.9768300962
 C      1.6885374824     -3.7376166124      0.2158789538
 C      1.3029922833     -3.4689677267      1.4920143732
 C      0.7524300078     -2.8896608590      2.4504035035
18
# ORCA AIMD Position Step 1564, t=1564.00 fs, E_Pot=-685.23884321 Hartree, Unit is Angstrom
 C      0.0244272753     -1.8661018909      2.9725873500
 C     -0.5724634306     -0.7898051148      3.1659307219
 C     -1.2110654577      0.4091616776      3.0464305922
 C     -1.6137506553      1.4589672100      2.5498939276
 C     -1.9395077475      2.4965741382      1.7773613634
 C     -1.9952277106      3.1987226835      0.7691242126
 C     -1.7499968799      3.4783891115     -0.5129076637
 C     -1.3790994105      3.2599792746     -1.6583539806
 C     -0.6889817126      2.4916102580     -2.5634942309
 C     -0.0534810336      1.6483452947     -3.2078269409
 C      0.6187806638      0.4950905621     -3.4461187662
 C      0.9664483421     -0.6586787351     -3.3229797360
 C      1.3893723914     -1.8823694233     -2.8473643342
 C      1.6790556552     -2.8137417433     -2.0920951239
 C      1.7530050918     -3.5832398851     -0.9784878848
 C      1.6823001444     -3.7480434905      0.2103544384
 C      1.3011134875     -3.4668826778      1.4836995575
 C      0.7471953108     -2.8958938890      2.4453036859
18
# ORCA AIMD Position Step 1565, t=1565.00 fs, E_Pot=-685.23939456 Hartree, Unit is Angstrom
 C      0.0220277114     -1.8629799992      2.9728868157
 C     -0.5711960651     -0.7991668146      3.1617572975
 C     -1.2128712715      0.4035530789      3.0529284442
 C     -1.6125237392      1.4592522653      2.5522236671
 C     -1.9407428396      2.4991628487      1.7776419628
 C     -1.9874286020      3.1976126756      0.7655231939
 C     -1.7449632446      3.4807201465     -0.5109627777
 C     -1.3760050480      3.2629790408     -1.6563137414
 C     -0.6911933958      2.4826993322     -2.5635284289
 C     -0.0547861285      1.6517307570     -3.2017073012
 C      0.6254508108      0.5060415415     -3.4470474470
 C      0.9727617886     -0.6476912592     -3.3224624476
 C      1.3877607568     -1.8814160690     -2.8434798224
 C      1.6726976625     -2.8123846867     -2.0905654538
 C      1.7540494617     -3.5852308994     -0.9814274964
 C      1.6757930656     -3.7586608478      0.2065920614
 C      1.2983525319     -3.4640997962      1.4767588444
 C      0.7425575796     -2.9024543114      2.4384694285
18
# ORCA AIMD Position Step 1566, t=1566.00 fs, E_Pot=-685.23944474 Hartree, Unit is Angstrom
 C      0.0195158342     -1.8593242665      2.9733199035
 C     -0.5697591928     -0.8091156867      3.1574693193
 C     -1.2145738025      0.3984664666      3.0586915246
 C     -1.6110012153      1.4582066472      2.5555949640
 C     -1.9419602381      2.5024524734      1.7769598436
 C     -1.9797627858      3.1958687257      0.7633685258
 C     -1.7398451863      3.4830865926     -0.5100560351
 C     -1.3722970804      3.2652610367     -1.6545393293
 C     -0.6935120774      2.4741191157     -2.5637176532
 C     -0.0564490573      1.6557394587     -3.1949894674
 C      0.6315996973      0.5170698548     -3.4479538207
 C      0.9798711402     -0.6381766610     -3.3216030546
 C      1.3861383380     -1.8802504274     -2.8392458514
 C      1.6659400987     -2.8102541267     -2.0899960473
 C      1.7552934385     -3.5866642726     -0.9854609662
 C      1.6690734662     -3.7694242822      0.2043793262
 C      1.2947249110     -3.4607338276      1.4711799822
 C      0.7383609530     -2.9090703648      2.4301176976
18
# ORCA AIMD Position Step 1567, t=1567.00 fs, E_Pot=-685.23866005 Hartree, Unit is Angstrom
 C      0.0174721871     -1.8561788822      2.9736167595
 C     -0.5686625126     -0.8187240636      3.1532322411
 C     -1.2162349323      0.3941226953      3.0635806078
 C     -1.6091419962      1.4557038865      2.5600104986
 C     -1.9430843791      2.5062277618      1.7755156541
 C     -1.9722799493      3.1935169834      0.7627558417
 C     -1.7346197085      3.4855246285     -0.5103108475
 C     -1.3679509475      3.2667457939     -1.6531119404
 C     -0.6963946692      2.4665482193     -2.5635778536
 C     -0.0580666531      1.6598549158     -3.1880993705
 C      0.6373342095      0.5278783708     -3.4488253982
 C      0.9877243745     -0.6300761267     -3.3203680849
 C      1.3844252668     -1.8785213095     -2.8348908384
 C      1.6588649290     -2.8075066654     -2.0902883497
 C      1.7566822166     -3.5876560028     -0.9901617555
 C      1.6622171827     -3.7802531849      0.2032578840
 C      1.2903384388     -3.4569882994      1.4667802889
 C      0.7343498489     -2.9153671366      2.4206378205
18
# ORCA AIMD Position Step 1568, t=1568.00 fs, E_Pot=-685.23724146 Hartree, Unit is Angstrom
 C      0.0164532367     -1.8545512483      2.9735184149
 C     -0.5684072378     -0.8270871347      3.1492094319
 C     -1.2178618849      0.3905863714      3.0675302833
 C     -1.6069799761      1.4518265713      2.5653608044
 C     -1.9440194519      2.5101290998      1.7736839296
 C     -1.9650055020      3.1906921304      0.7635401161
 C     -1.7292907346      3.4880584201     -0.5117239841
 C     -1.3629652385      3.2673853904     -1.6520883649
 C     -0.7002603708      2.4605977788     -2.5626778128
 C     -0.0592365548      1.6635690551     -3.1814535744
 C      0.6427958816      0.5380952697     -3.4496353090
 C      0.9962173892     -0.6231684901     -3.3187554025
 C      1.3825455499     -1.8758775298     -2.8306623004
 C      1.6515661621     -2.8043601008     -2.0912825409
 C      1.7581435608     -3.5883418148     -0.9949738503
 C      1.6553076844     -3.7910422573      0.2026358487
 C      1.2853865675     -3.4531460380      1.4632136813
 C      0.7301996213     -2.9209148195      2.4105474466
18
# ORCA AIMD Position Step 1569, t=1569.00 fs, E_Pot=-685.23592350 Hartree, Unit is Angstrom
 C      0.0168786417     -1.8552150443      2.9728219864
 C     -0.5693859579     -0.8335041111      3.1455342401
 C     -1.2194089302      0.3877691134      3.0705488380
 C     -1.6046207223      1.4468560509      2.5714372621
 C     -1.9446596657      2.5136908663      1.7719745570
 C     -1.9579398301      3.1876229001      0.7653556639
 C     -1.7238888022      3.4906995448     -0.5141535661
 C     -1.3573657129      3.2671710091     -1.6514962865
 C     -0.7054078160      2.4567057179     -2.5607297449
 C     -0.0596356277      1.6664830121     -3.1753813201
 C      0.6481397434      0.5473249383     -3.4503479956
 C      1.0052175316     -0.6171337524     -3.3167865352
 C      1.3804371321     -1.8720034593     -2.8267959833
 C      1.6441391223     -2.8010642621     -2.0927797733
 C      1.7595951862     -3.5888510058     -0.9993359091
 C      1.6484238618     -3.8016737504      0.2019116108
 C      1.2801277079     -3.4495449959      1.4600095168
 C      0.7255606580     -2.9252819727      2.4004289655
18
# ORCA AIMD Position Step 1570, t=1570.00 fs, E_Pot=-685.23540903 Hartree, Unit is Angstrom
 C      0.0189247936     -1.8585301869      2.9714209184
 C     -0.5717822715     -0.8376453017      3.1422850762
 C     -1.2207869043      0.3854533446      3.0727110971
 C     -1.6022308072      1.4412392322      2.5779531671
 C     -1.9448983840      2.5163987041      1.7709616010
 C     -1.9510628642      3.1845959255      0.7676875930
 C     -1.7184728037      3.4934475340     -0.5173368545
 C     -1.3512137212      3.2661421806     -1.6513293974
 C     -0.7119288534      2.4550415436     -2.5576632081
 C     -0.0590946516      1.6683984063     -3.1700630983
 C      0.6535112296      0.5552033975     -3.4509227351
 C      1.0145810569     -0.6116248141     -3.3145013138
 C      1.3780647647     -1.8666637318     -2.8234805651
 C      1.6366715497     -2.7978621515     -2.0945726619
 C      1.7609515718     -3.5892826579     -1.0027866998
 C      1.6416326219     -3.8120269942      0.2005794228
 C      1.2748470796     -3.4465387318      1.4566443963
 C      0.7201145072     -2.9280964990      2.3908484183
18
# ORCA AIMD Position Step 1571, t=1571.00 fs, E_Pot=-685.23585222 Hartree, Unit is Angstrom
 C      0.0224635017     -1.8643404100      2.9693294113
 C     -0.5755112942     -0.8396412329      3.1394693323
 C     -1.2218791480      0.3833336436      3.0741437816
 C     -1.6000180866      1.4355355004      2.5845730650
 C     -1.9446400869      2.5177685322      1.7711879958
 C     -1.9443446825      3.1819010239      0.7699737564
 C     -1.7131238158      3.4962915834     -0.5209221768
 C     -1.3446148139      3.2643949235     -1.6515342013
 C     -0.7196608634      2.4554596844     -2.5536684079
 C     -0.0576389928      1.6693543155     -3.1655017423
 C      0.6590214877      0.5614491539     -3.4513189577
 C      1.0241650537     -0.6063278740     -3.3119525937
 C      1.3754307294     -1.8597502280     -2.8208278016
 C      1.6292387842     -2.7949536110     -2.0964751874
 C      1.7621312006     -3.5896873864     -1.0050352911
 C      1.6349858558     -3.8219858099      0.1982968283
 C      1.2698089695     -3.4444459779      1.4526449812
 C      0.7136395710     -2.9291104241      2.3822619767
18
# ORCA AIMD Position Step 1572, t=1572.00 fs, E_Pot=-685.23676557 Hartree, Unit is Angstrom
 C      0.0270756561     -1.8720025231      2.9666814790
 C     -0.5802369927     -0.8400489264      3.1370352699
 C     -1.2225653330      0.3810716686      3.0750035035
 C     -1.5982026045      1.4303407198      2.5909521355
 C     -1.9438066874      2.5174348721      1.7730510143
 C     -1.9377531595      3.1797608130      0.7717381218
 C     -1.7079380423      3.4992134690     -0.5245189083
 C     -1.3377244269      3.2620886928     -1.6519975835
 C     -0.7281933071      2.4575156913     -2.5491798818
 C     -0.0554719642      1.6696014299     -3.1615407314
 C      0.6647244407      0.5659149814     -3.4514991381
 C      1.0338422905     -0.6010060950     -3.3092020715
 C      1.3725829945     -1.8513201096     -2.8188448759
 C      1.6218979385     -2.7924573006     -2.0983476830
 C      1.7630619061     -3.5900592646     -1.0060064166
 C      1.6285169517     -3.8314470839      0.1949203090
 C      1.2651963049     -3.4434960353      1.4476890584
 C      0.7060758938     -2.9282641479      2.3749130846
18
# ORCA AIMD Position Step 1573, t=1573.00 fs, E_Pot=-685.23739276 Hartree, Unit is Angstrom
 C      0.0321384156     -1.8805350559      2.9637055886
 C     -0.5854570062     -0.8396996705      3.1348871151
 C     -1.2227431420      0.3783606875      3.0754491461
 C     -1.5969817797      1.4261944246      2.5967879924
 C     -1.9423459660      2.5152254954      1.7767059572
 C     -1.9312588053      3.1782693464      0.7726989193
 C     -1.7030064468      3.5021914918     -0.5277432726
 C     -1.3307390016      3.2594410899     -1.6525389898
 C     -0.7369447653      2.4605563930     -2.5448055345
 C     -0.0529105190      1.6695081690     -3.1579233301
 C      0.6706059753      0.5686262542     -3.4514321151
 C      1.0435155446     -0.5955220533     -3.3063121840
 C      1.3696128628     -1.8416022960     -2.8174281463
 C      1.6146815469     -2.7903928791     -2.1001131217
 C      1.7636883158     -3.5903347503     -1.0058481935
 C      1.6222355000     -3.8403381229      0.1905084210
 C      1.2610656775     -3.4437871131      1.4416790212
 C      0.6975552724     -2.9257231726      2.3687673486
18
# ORCA AIMD Position Step 1574, t=1574.00 fs, E_Pot=-685.23716043 Hartree, Unit is Angstrom
 C      0.0369509696     -1.8888285881      2.9606831914
 C     -0.5906240154     -0.8394964856      3.1329156459
 C     -1.2223517592      0.3749910635      3.0756092203
 C     -1.5964966093      1.4234851464      2.6018679218
 C     -1.9402305342      2.5111946531      1.7820222747
 C     -1.9248358310      3.1773608778      0.7728339748
 C     -1.6984031824      3.5052041239     -0.5302598132
 C     -1.3238777843      3.2567109414     -1.6529217751
 C     -0.7452721631      2.4638446301     -2.5412201643
 C     -0.0502925783      1.6694489958     -3.1543692345
 C      0.6765814471      0.5697960293     -3.4510929872
 C      1.0531298116     -0.5898415316     -3.3033405869
 C      1.3666446685     -1.8309735516     -2.8163763070
 C      1.6075941681     -2.7886813575     -2.1017576349
 C      1.7639760454     -3.5904021780     -1.0049052897
 C      1.6161245005     -3.8486265376      0.1852938926
 C      1.2573361672     -3.4452777038      1.4347483746
 C      0.6883884815     -2.9218690217      2.3635094006
18
# ORCA AIMD Position Step 1575, t=1575.00 fs, E_Pot=-685.23603008 Hartree, Unit is Angstrom
 C      0.0408537525     -1.8958458640      2.9579034626
 C     -0.5952554580     -0.8402299799      3.1310260511
 C     -1.2213865787      0.3708936802      3.0755559347
 C     -1.5968066608      1.4223812742      2.6060992835
 C     -1.9374542922      2.5056090369      1.7886066391
 C     -1.9184643052      3.1768213562      0.7723721215
 C     -1.6941800297      3.5082301914     -0.5318030776
 C     -1.3173578430      3.2541677105     -1.6528834559
 C     -0.7525784123      2.4666883893     -2.5390546228
 C     -0.0478929592      1.6697090760     -3.1506455998
 C      0.6825011355      0.5698085125     -3.4504636785
 C      1.0626744997     -0.5840208964     -3.3003353703
 C      1.3638229703     -1.8199125490     -2.8154196760
 C      1.6006199078     -2.7871675830     -2.1033135604
 C      1.7639074111     -3.5901153411     -1.0036658411
 C      1.6101416112     -3.8563192139      0.1796311785
 C      1.2538146112     -3.4478156503      1.4272085931
 C      0.6790130381     -2.9172377875      2.3586130728
18
# ORCA AIMD Position Step 1576, t=1576.00 fs, E_Pot=-685.23447317 Hartree, Unit is Angstrom
 C      0.0433232461     -1.9007728468      2.9556194614
 C     -0.5990083818     -0.8424533090      3.1291528133
 C     -1.2199021435      0.3661553448      3.0752930417
 C     -1.5978784075      1.4227985213      2.6095226223
 C     -1.9340305297      2.4988976761      1.7958793392
 C     -1.9121308576      3.1763369694      0.7717219357
 C     -1.6903646910      3.5112466309     -0.5321826844
 C     -1.3113649358      3.2520520000     -1.6521790580
 C     -0.7584022677      2.4685503162     -2.5388002548
 C     -0.0458697628      1.6704240382     -3.1466122510
 C      0.6881673907      0.5691723076     -3.4495323505
 C      1.0721755026     -0.5781788659     -3.2973351932
 C      1.3612966438     -1.8089437185     -2.8142603687
 C      1.5937320995     -2.7856564444     -2.1048386701
 C      1.7634775838     -3.5893135267     -1.0026817287
 C      1.6042289647     -3.8634532557      0.1739237227
 C      1.2502457243     -3.4511854368      1.4194650796
 C      0.6699100306     -2.9124257427      2.3534584502
18
# ORCA AIMD Position Step 1577, t=1577.00 fs, E_Pot=-685.23319468 Hartree, Unit is Angstrom
 C      0.0440321629     -1.9031142444      2.9540094872
 C     -0.6017133036     -0.8464245521      3.1272673106
 C     -1.2180029955      0.3610016463      3.0747603331
 C     -1.5995898349      1.4244080984      2.6123027643
 C     -1.9299922636      2.4915880469      1.8031667914
 C     -1.9058301149      3.1755570333      0.7713787846
 C     -1.6869612317      3.5142249753     -0.5312833133
 C     -1.3060303706      3.2505362990     -1.6506249215
 C     -0.7624750495      2.4691218800     -2.5407399161
 C     -0.0442450633      1.6715648576     -3.1422427306
 C      0.6933614819      0.5684499524     -3.4482928645
 C      1.0816780852     -0.5724578221     -3.2943715213
 C      1.3592066816     -1.7985824093     -2.8126120637
 C      1.5869048320     -2.7839499858     -2.1063952767
 C      1.7626868613     -3.5878477372     -1.0024745425
 C      1.5983279729     -3.8700803713      0.1685418502
 C      1.2463634921     -3.4551544214      1.4119365353
 C      0.6615209927     -2.9079865199      2.3474539941
18
# ORCA AIMD Position Step 1578, t=1578.00 fs, E_Pot=-685.23274060 Hartree, Unit is Angstrom
 C      0.0428837015     -1.9027499667      2.9531460218
 C     -0.6033827874     -0.8520878532      3.1253824518
 C     -1.2158295184      0.3557579684      3.0738511097
 C     -1.6017466114      1.4266839045      2.6147006544
 C     -1.9253919403      2.4842424287      1.8097909015
 C     -1.8995664098      3.1741508795      0.7718374180
 C     -1.6839538367      3.5171289252     -0.5290636837
 C     -1.3014179417      3.2496969968     -1.6481350772
 C     -0.7647475072      2.4683652292     -2.5449071380
 C     -0.0429088545      1.6729504651     -3.1376261997
 C      0.6978752477      0.5681758183     -3.4467441621
 C      1.0912245324     -0.5669878978     -3.2914727630
 C      1.3576746083     -1.7892874418     -2.8102357316
 C      1.5801257419     -2.7818800675     -2.1080315016
 C      1.7615307313     -3.5856075192     -1.0034453569
 C      1.5923978238     -3.8762446978      0.1637434802
 C      1.2419337528     -3.4595099060      1.4049953919
 C      0.6541850801     -2.9043438647      2.3401402683
18
# ORCA AIMD Position Step 1579, t=1579.00 fs, E_Pot=-685.23320209 Hartree, Unit is Angstrom
 C      0.0400283208     -1.8999595749      2.9529758960
 C     -0.6042042665     -0.8590833175      3.1235528709
 C     -1.2135399076      0.3507964984      3.0724387208
 C     -1.6041077362      1.4289765882      2.6170343427
 C     -1.9203016645      2.4774078213      1.8151374220
 C     -1.8933565449      3.1718510610      0.7735239401
 C     -1.6813089608      3.5199110189     -0.5255584599
 C     -1.2975264958      3.2495073500     -1.6447300431
 C     -0.7653851270      2.4665114340     -2.5510813996
 C     -0.0416431652      1.6742821711     -3.1329542023
 C      0.7015456721      0.5687722711     -3.4448900000
 C      1.1008290839     -0.5618453928     -3.2886704238
 C      1.3567936804     -1.7814190586     -2.8069697793
 C      1.5734051833     -2.7793371792     -2.1097686045
 C      1.7599930191     -3.5825476325     -1.0057958472
 C      1.5864318389     -3.8819638480      0.1596115776
 C      1.2367852138     -3.4640807864      1.3989294957
 C      0.6480980976     -2.9017329139      2.3312628773
18
# ORCA AIMD Position Step 1580, t=1580.00 fs, E_Pot=-685.23421277 Hartree, Unit is Angstrom
 C      0.0358559047     -1.8954086659      2.9533185369
 C     -0.6045246156     -0.8667777608      3.1218721797
 C     -1.2112911710      0.3464795113      3.0704054469
 C     -1.6064191646      1.4306105292      2.6196298155
 C     -1.9148080581      2.4715548481      1.8187271912
 C     -1.8872265603      3.1684878897      0.7767362122
 C     -1.6789755428      3.5225130323     -0.5208775437
 C     -1.2943011709      3.2498512251     -1.6405206369
 C     -0.7647380307      2.4640192399     -2.5588223020
 C     -0.0401594458      1.6751945496     -3.1284906120
 C      0.7042883115      0.5704790293     -3.4427386750
 C      1.1104632026     -0.5570247281     -3.2860010480
 C      1.3566191463     -1.7751953258     -2.8027548400
 C      1.5667787986     -2.7762930272     -2.1115914061
 C      1.7580431963     -3.5787046492     -1.0094878530
 C      1.5804632252     -3.8872184446      0.1560283081
 C      1.2308310703     -3.4687555417      1.3939101202
 C      0.6432932518     -2.9001750421      2.3208077322
18
# ORCA AIMD Position Step 1581, t=1581.00 fs, E_Pot=-685.23523325 Hartree, Unit is Angstrom
 C      0.0309450155     -1.8900640877      2.9538909881
 C     -0.6048125396     -0.8743402443      3.1204651644
 C     -1.2092196698      0.3431048449      3.0676659663
 C     -1.6084541484      1.4309949498      2.6227655371
 C     -1.9089972056      2.4670079307      1.8202859846
 C     -1.8812043595      3.1640135240      0.7815958050
 C     -1.6768853503      3.5248684926     -0.5151945460
 C     -1.2916556437      3.2505546484     -1.6356662695
 C     -0.7632749552      2.4614895876     -2.5675507419
 C     -0.0381525328      1.6753252587     -3.1245238046
 C      0.7061207516      0.5733144544     -3.4403019375
 C      1.1200564338     -0.5524295780     -3.2835025245
 C      1.3571627152     -1.7706537020     -2.7976461279
 C      1.5603045202     -2.7728163902     -2.1134400919
 C      1.7556365211     -3.5741943946     -1.0142581230
 C      1.5745576730     -3.8919547877      0.1526955435
 C      1.2240796182     -3.4734991926      1.3899637738
 C      0.6396457318     -2.8994939393      2.3089933767
18
# ORCA AIMD Position Step 1582, t=1582.00 fs, E_Pot=-685.23598625 Hartree, Unit is Angstrom
 C      0.0259800566     -1.8850662550      2.9543393951
 C     -0.6056007689     -0.8808320889      3.1194667988
 C     -1.2074057106      0.3408074912      3.0641971545
 C     -1.6100551128      1.4297480683      2.6266123422
 C     -1.9029420212      2.4638698884      1.8198206664
 C     -1.8753089608      3.1585395129      0.7879819472
 C     -1.6749669242      3.5269023351     -0.5086873958
 C     -1.2894761630      3.2514078019     -1.6303714112
 C     -0.7615031041      2.4595663165     -2.5766350317
 C     -0.0353428888      1.6743580523     -3.1213189940
 C      0.7071371968      0.5771230155     -3.4375888848
 C      1.1295155450     -0.5479034139     -3.2812014634
 C      1.3583862854     -1.7676144244     -2.7918320879
 C      1.5540642971     -2.7690970325     -2.1151852356
 C      1.7527154767     -3.5691891468     -1.0197118077
 C      1.5687974107     -3.8960915972      0.1492424810
 C      1.2166371945     -3.4783768594      1.3869317550
 C      0.6368838384     -2.8993292712      2.2962549233
18
# ORCA AIMD Position Step 1583, t=1583.00 fs, E_Pot=-685.23637734 Hartree, Unit is Angstrom
 C      0.0215999013     -1.8814618513      2.9543390297
 C     -0.6073632432     -0.8854528961      3.1190079603
 C     -1.2059075274      0.3396593122      3.0600198963
 C     -1.6111482162      1.4267247021      2.6312124859
 C     -1.8966857885      2.4620159915      1.8176004114
 C     -1.8695525434      3.1522754479      0.7956219465
 C     -1.6731278933      3.5285514371     -0.5016168926
 C     -1.2876765619      3.2522254670     -1.6247678698
 C     -0.7598546021      2.4587975250     -2.5855276416
 C     -0.0316164784      1.6722100535     -3.1190343941
 C      0.7075766012      0.5814937081     -3.4346302179
 C      1.1387290007     -0.5432714988     -3.2791137404
 C      1.3602191618     -1.7657246472     -2.7855770216
 C      1.5481336519     -2.7653639213     -2.1167092872
 C      1.7492314769     -3.5639165476     -1.0253197053
 C      1.5632622281     -3.8995405971      0.1452249512
 C      1.2086890899     -3.4835216504      1.3845391950
 C      0.6346733886     -2.8992759240      2.2831163977
18
# ORCA AIMD Position Step 1584, t=1584.00 fs, E_Pot=-685.23650608 Hartree, Unit is Angstrom
 C      0.0182855253     -1.8800423774      2.9536174260
 C     -0.6104257167     -0.8876466713      3.1191767435
 C     -1.2047083303      0.3395271762      3.0552338902
 C     -1.6117673911      1.4220969111      2.6364489452
 C     -1.8902480109      2.4610534716      1.8142118005
 C     -1.8639330231      3.1455990824      0.8039763213
 C     -1.6712844425      3.5297482492     -0.4942034300
 C     -1.2861735263      3.2528383580     -1.6189764421
 C     -0.7586264639      2.4595679523     -2.5938037296
 C     -0.0270109065      1.6689828874     -3.1177097273
 C      0.7077138241      0.5859459329     -3.4314629982
 C      1.1475952098     -0.5383869213     -3.2772335189
 C      1.3625597124     -1.7644694502     -2.7792374018
 C      1.5426008541     -2.7619349047     -2.1178385971
 C      1.7451415280     -3.5586035363     -1.0306009293
 C      1.5580145909     -3.9022143601      0.1403016723
 C      1.2004875989     -3.4891487535      1.3823704595
 C      0.6326309514     -2.8988792544      2.2701802776
18
# ORCA AIMD Position Step 1585, t=1585.00 fs, E_Pot=-685.23634714 Hartree, Unit is Angstrom
 C      0.0162371294     -1.8811390073      2.9520166492
 C     -0.6148559692     -0.8872923285      3.1199954909
 C     -1.2037313069      0.3401177351      3.0500097139
 C     -1.6120488450      1.4163309420      2.6420616356
 C     -1.8836284944      2.4603773426      1.8104883783
 C     -1.8584386215      3.1390070161      0.8123185403
 C     -1.6693604414      3.5304320742     -0.4866437805
 C     -1.2849007660      3.2531114139     -1.6130827051
 C     -0.7579262631      2.4620366900     -2.6012117840
 C     -0.0217668540      1.6650232522     -3.1172405402
 C      0.7078509207      0.5899698026     -3.4281421336
 C      1.1560371775     -0.5331783956     -3.2755330650
 C      1.3652971674     -1.7632627571     -2.7731971257
 C      1.5375478203     -2.7591382713     -2.1184032503
 C      1.7404228195     -3.5534576899     -1.0351733833
 C      1.5530857967     -3.9040458713      0.1342772956
 C      1.1923084984     -3.4955049070      1.3799575816
 C      0.6303985608     -2.8977351703      2.2580139958
18
# ORCA AIMD Position Step 1586, t=1586.00 fs, E_Pot=-685.23580755 Hartree, Unit is Angstrom
 C      0.0153354907     -1.8845619584      2.9495128730
 C     -0.6204305390     -0.8847537468      3.1214105776
 C     -1.2028478995      0.3410034876      3.0445777815
 C     -1.6122101975      1.4101222953      2.6476895435
 C     -1.8768184503      2.4592691852      1.8073945635
 C     -1.8530517198      3.1330550098      0.8198320792
 C     -1.6672919885      3.5305547173     -0.4791053855
 C     -1.2838031157      3.2529414322     -1.6071521095
 C     -0.7576800213      2.4661448648     -2.6076622518
 C     -0.0162992325      1.6608839191     -3.1174002785
 C      0.7082750936      0.5931084139     -3.4247397206
 C      1.1640182259     -0.5276795266     -3.2739637009
 C      1.3683313303     -1.7615438634     -2.7678105453
 C      1.5330369036     -2.7572419946     -2.1182821594
 C      1.7350793074     -3.5486501705     -1.0388052747
 C      1.5484694694     -3.9050043027      0.1271458354
 C      1.1843945216     -3.5028095461      1.3768732438
 C      0.6277055093     -2.8955598703      2.2470519639
18
# ORCA AIMD Position Step 1587, t=1587.00 fs, E_Pot=-685.23499514 Hartree, Unit is Angstrom
 C      0.0151888928     -1.8896780814      2.9462072724
 C     -0.6266844301     -0.8807986385      3.1233039712
 C     -1.2019009104      0.3416868991      3.0392005763
 C     -1.6125121201      1.4042785232      2.6529363131
 C     -1.8698103817      2.4570402830      1.8058488790
 C     -1.8477543224      3.1282609115      0.8257650384
 C     -1.6650264289      3.5300831585     -0.4717356594
 C     -1.2828338590      3.2522544206     -1.6012373068
 C     -0.7576836011      2.4716730645     -2.6131839206
 C     -0.0111201749      1.6572299039     -3.1178932257
 C      0.7092200301      0.5950258411     -3.4213386393
 C      1.1715493792     -0.5220288427     -3.2724624303
 C      1.3715897413     -1.7588759224     -2.7633445457
 C      1.5291021920     -2.7563885301     -2.1174424276
 C      1.7291405530     -3.5443028187     -1.0414379890
 C      1.5441238455     -3.9051049085      0.1190871124
 C      1.1768997039     -3.5111955848      1.3728276464
 C      0.6244191353     -2.8922471996      2.2375144570
18
# ORCA AIMD Position Step 1588, t=1588.00 fs, E_Pot=-685.23426784 Hartree, Unit is Angstrom
 C      0.0152446136     -1.8955905385      2.9422933134
 C     -0.6330208950     -0.8764195564      3.1255187756
 C     -1.2007354790      0.3416826926      3.0341383080
 C     -1.6132109266      1.3995809523      2.6574412003
 C     -1.8626057774      2.4531960475      1.8065148214
 C     -1.8425356136      3.1249826258      0.8296189275
 C     -1.6625229193      3.5290034764     -0.4646675386
 C     -1.2819476794      3.2509981172     -1.5953996990
 C     -0.7576710751      2.4783194268     -2.6178653313
 C     -0.0067412951      1.6547153409     -3.1184168325
 C      0.7108238343      0.5955769707     -3.4180220441
 C      1.1786911074     -0.5164620648     -3.2709585959
 C      1.3750391614     -1.7550277139     -2.7599343195
 C      1.5257446064     -2.7565424283     -2.1159714059
 C      1.7226621066     -3.5404818937     -1.0431928054
 C      1.5399746689     -3.9044156158      0.1104602651
 C      1.1698556938     -3.5206647358      1.3677288742
 C      0.6205698289     -2.8878982850      2.2293665446
18
# ORCA AIMD Position Step 1589, t=1589.00 fs, E_Pot=-685.23392683 Hartree, Unit is Angstrom
 C      0.0149182782     -1.9013428288      2.9380132312
 C     -0.6388336068     -0.8726350627      3.1278903899
 C     -1.1992393817      0.3406251247      3.0296086053
 C     -1.6145041627      1.3966307680      2.6609472322
 C     -1.8552208937      2.4475719093      1.8096278994
 C     -1.8373996858      3.1233141866      0.8313073376
 C     -1.6597506819      3.5273247093     -0.4580332563
 C     -1.2810992540      3.2491374540     -1.5897207955
 C     -0.7573810604      2.4857734720     -2.6218023063
 C     -0.0035849691      1.6538725377     -3.1187169753
 C      0.7131057272      0.5948396423     -3.4148635016
 C      1.1855444720     -0.5112925062     -3.2693804465
 C      1.3786870694     -1.7500087870     -2.7575672291
 C      1.5229320618     -2.7574704940     -2.1140905589
 C      1.7157273750     -3.5372025751     -1.0443468323
 C      1.5359224350     -3.9030588956      0.1017696792
 C      1.1631712252     -3.5310694897      1.3616987532
 C      0.6163394397     -2.8828113920      2.2223351138
18
# ORCA AIMD Position Step 1590, t=1590.00 fs, E_Pot=-685.23392794 Hartree, Unit is Angstrom
 C      0.0137069509     -1.9061001444      2.9336089377
 C     -0.6436107166     -0.8703142679      3.1302734503
 C     -1.1973789604      0.3383553982      3.0257525297
 C     -1.6164822253      1.3957167960      2.6633547729
 C     -1.8476924119      2.4403901234      1.8149309796
 C     -1.8323670246      3.1230536415      0.8312017038
 C     -1.6566898200      3.5250784572     -0.4519653145
 C     -1.2802407078      3.2466521868     -1.5843121231
 C     -0.7566079715      2.4937718149     -2.6250594831
 C     -0.0019136895      1.6550212776     -3.1186280144
 C      0.7159530566      0.5931224051     -3.4119161392
 C      1.1922355534     -0.5068695793     -3.2676646227
 C      1.3825739102     -1.7440568187     -2.7560984172
 C      1.5206100845     -2.7587742449     -2.1121301485
 C      1.7084404594     -3.5344383773     -1.0452908333
 C      1.5318562031     -3.9012022315      0.0936105000
 C      1.1566616030     -3.5421347092      1.3550338222
 C      0.6120142035     -2.8774244363      2.2159836641
18
# ORCA AIMD Position Step 1591, t=1591.00 fs, E_Pot=-685.23396070 Hartree, Unit is Angstrom
 C      0.0112694519     -1.9092817241      2.9292756369
 C     -0.6470063995     -0.8700542500      3.1325598983
 C     -1.1952149773      0.3349604622      3.0226171563
 C     -1.6191009069      1.3967407955      2.6647490250
 C     -1.8400791977      2.4322179388      1.8217419941
 C     -1.8274698662      3.1237572211      0.8300440247
 C     -1.6533311644      3.5223140204     -0.4465883284
 C     -1.2793228511      3.2435364813     -1.5793126324
 C     -0.7552304835      2.5021314891     -2.6276515919
 C     -0.0017963223      1.6582267288     -3.1180907588
 C      0.7191382515      0.5909209378     -3.4092052688
 C      1.1988934604     -0.5035192048     -3.2657647870
 C      1.3867613409     -1.7375795633     -2.7552910587
 C      1.5187138521     -2.7599589703     -2.1104800213
 C      1.7009137757     -3.5321382487     -1.0464603660
 C      1.5276681896     -3.8990389692      0.0865850026
 C      1.1500940184     -3.5535053441      1.3481382369
 C      0.6079156234     -2.8722275894      2.2098137401
18
# ORCA AIMD Position Step 1592, t=1592.00 fs, E_Pot=-685.23378357 Hartree, Unit is Angstrom
 C      0.0074689587     -1.9106366730      2.9251237856
 C     -0.6488749121     -0.8721161615      3.1346873056
 C     -1.1928924244      0.3307433375      3.0201625298
 C     -1.6221880149      1.3992279304      2.6653922424
 C     -1.8324613006      2.4238469039      1.8291244098
 C     -1.8227408469      3.1248583377      0.8287594371
 C     -1.6496755994      3.5190904276     -0.4420039304
 C     -1.2782973661      3.2398003359     -1.5748749212
 C     -0.7532199368      2.5107636680     -2.6295454244
 C     -0.0031128336      1.6633090804     -3.1171477252
 C      0.7223635905      0.5888255805     -3.4067246852
 C      1.2056240629     -0.5014717952     -3.2636609610
 C      1.3913190409     -1.7310694823     -2.7548701793
 C      1.5171813325     -2.7605221291     -2.1095271612
 C      1.6932509739     -3.5302504329     -1.0482500087
 C      1.5232705442     -3.8967609826      0.0811985640
 C      1.1432298434     -3.5648043795      1.3414498348
 C      0.6043306700     -2.8676703651      2.2033681170
18
# ORCA AIMD Position Step 1593, t=1593.00 fs, E_Pot=-685.23343837 Hartree, Unit is Angstrom
 C      0.0023853858     -1.9102670624      2.9211551519
 C     -0.6492759327     -0.8764126074      3.1366406867
 C     -1.1906070606      0.3261418600      3.0182878280
 C     -1.6254754790      1.4024138511      2.6656824882
 C     -1.8249323787      2.4161493678      1.8360789758
 C     -1.8182074620      3.1257952945      0.8282542852
 C     -1.6457325983      3.5154676726     -0.4382770138
 C     -1.2771258293      3.2354744419     -1.5711391450
 C     -0.7506284075      2.5196646847     -2.6306755206
 C     -0.0055914407      1.6698976589     -3.1159246828
 C      0.7253270146      0.5873950871     -3.4044381987
 C      1.2124788465     -0.5007890477     -3.2613675627
 C      1.3963142104     -1.7250146725     -2.7545768354
 C      1.5159626564     -2.7600364001     -2.1095993824
 C      1.6855312997     -3.5287514889     -1.0509206649
 C      1.5186093065     -3.8945292801      0.0777554084
 C      1.1358572542     -3.5756796352      1.3353857631
 C      0.6014590409     -2.8640896353      2.1963077420
18
# ORCA AIMD Position Step 1594, t=1594.00 fs, E_Pot=-685.23317329 Hartree, Unit is Angstrom
 C     -0.0037021687     -1.9086029604      2.9172604354
 C     -0.6484553479     -0.8825319545      3.1384524997
 C     -1.1885638724      0.3216171746      3.0168687086
 C     -1.6286543072      1.4054009617      2.6660820807
 C     -1.8175906684      2.4099369636      1.8417138627
 C     -1.8138854322      3.1261184808      0.8292446968
 C     -1.6415188918      3.5114927147     -0.4354207155
 C     -1.2757871501      3.2306143649     -1.5682071073
 C     -0.7475620984      2.5288889340     -2.6309671049
 C     -0.0088652237      1.6775033131     -3.1146009236
 C      0.7277782231      0.5870548378     -3.4022832234
 C      1.2194324846     -0.5013190796     -3.2589377280
 C      1.4018005964     -1.7198264190     -2.7542117036
 C      1.5150302790     -2.7582213956     -2.1109109109
 C      1.6777970847     -3.5276611347     -1.0545482395
 C      1.5136786810     -3.8924491294      0.0762901281
 C      1.1278144414     -3.5858441450      1.3302955724
 C      0.5993872091     -2.8616693650      2.1884627579
18
# ORCA AIMD Position Step 1595, t=1595.00 fs, E_Pot=-685.23324436 Hartree, Unit is Angstrom
 C     -0.0103515936     -1.9063383075      2.9132360888
 C     -0.6468089193     -0.8898029313      3.1401979914
 C     -1.1869441352      0.3175727684      3.0157871701
 C     -1.6314254072      1.4073178579      2.6670375552
 C     -1.8105280197      2.4058504482      1.8453649306
 C     -1.8097770226      3.1255450973      0.8321612436
 C     -1.6370565095      3.5071948893     -0.4333956865
 C     -1.2742888814      3.2253098746     -1.5661096232
 C     -0.7441453215      2.5385046675     -2.6303706656
 C     -0.0125354999      1.6856025752     -3.1133760857
 C      0.7295621495      0.5880159008     -3.4001786050
 C      1.2263708349     -0.5026836011     -3.2564630846
 C      1.4078122882     -1.7157841247     -2.7536653703
 C      1.5143813550     -2.7549846624     -2.1135341209
 C      1.6700522865     -3.5270494408     -1.0589977782
 C      1.5085250763     -3.8905616295      0.0765453187
 C      1.1190032381     -3.5950936787      1.3264412817
 C      0.5980866776     -2.8604363619      2.1798416793
18
# ORCA AIMD Position Step 1596, t=1596.00 fs, E_Pot=-685.23373202 Hartree, Unit is Angstrom
 C     -0.0170200462     -1.9043261513      2.9088186000
 C     -0.6448242265     -0.8973938688      3.1419868866
 C     -1.1858807597      0.3142943877      3.0149567110
 C     -1.6335472000      1.4074771012      2.6688932375
 C     -1.8038180547      2.4042565119      1.8466936930
 C     -1.8058706936      3.1239930155      0.8370947321
 C     -1.6323762790      3.5025815193     -0.4321109669
 C     -1.2726728713      3.2196895918     -1.5647871920
 C     -0.7404804559      2.5485451388     -2.6288955168
 C     -0.0162289635      1.6937110707     -3.1124363923
 C      0.7306349938      0.5902627649     -3.3980326493
 C      1.2331000989     -0.5043168613     -3.2540651023
 C      1.4143570156     -1.7129949715     -2.7529379833
 C      1.5140392595     -2.7504490860     -2.1173799130
 C      1.6622698729     -3.5270199860     -1.0639617180
 C      1.5032370739     -3.8888505646      0.0780166941
 C      1.1093984024     -3.6033202410      1.3239770325
 C      0.5974273092     -2.8602772132      2.1706184136
18
# ORCA AIMD Position Step 1597, t=1597.00 fs, E_Pot=-685.23447675 Hartree, Unit is Angstrom
 C     -0.0231557556     -1.9034275824      2.9037345876
 C     -0.6430002708     -0.9044529325      3.1439418898
 C     -1.1854441442      0.3119244886      3.0143330227
 C     -1.6348676375      1.4054930406      2.6718198420
 C     -1.7975057284      2.4051711868      1.8457569593
 C     -1.8021436033      3.1215812221      0.8437947216
 C     -1.6275155061      3.4976481890     -0.4314391808
 C     -1.2710206176      3.2139248821     -1.5640742624
 C     -0.7366125783      2.5589683295     -2.6266412393
 C     -0.0196436076      1.7014434152     -3.1119293094
 C      0.7310550068      0.5935772156     -3.3957548332
 C      1.2393739049     -0.5055474932     -3.2518762666
 C      1.4214162102     -1.7113653247     -2.7521473688
 C      1.5140477248     -2.7449440602     -2.1222066171
 C      1.6544037442     -3.5276919304     -1.0690180912
 C      1.4979283366     -3.8872593983      0.0800392749
 C      1.0990558975     -3.6105232528      1.3229279719
 C      0.5971972431     -2.8609676071      2.1611042293
18
# ORCA AIMD Position Step 1598, t=1598.00 fs, E_Pot=-685.23510205 Hartree, Unit is Angstrom
 C     -0.0283047364     -1.9043424400      2.8977588435
 C     -0.6417506166     -0.9102685336      3.1461691631
 C     -1.1856343454      0.3104378401      3.0139241329
 C     -1.6353454354      1.4013560477      2.6757777389
 C     -1.7916029640      2.4082295028      1.8430335144
 C     -1.7985614271      3.1186262809      0.8516821397
 C     -1.6225188822      3.4923832007     -0.4312175772
 C     -1.2694474521      3.2082196481     -1.5637163583
 C     -0.7325071539      2.5696370132     -2.6238114785
 C     -0.0225755904      1.7085470304     -3.1119444283
 C      0.7309474355      0.5976203484     -3.3932661003
 C      1.2449360864     -0.5057063977     -3.2500202064
 C      1.4289481789     -1.7106074074     -2.7515160133
 C      1.5144650465     -2.7389813616     -2.1276372895
 C      1.6463985097     -3.5291623262     -1.0737304517
 C      1.4927124654     -3.8857125048      0.0819132909
 C      1.0881150211     -3.6168221237      1.3231663518
 C      0.5971297250     -2.8622021687      2.1517114231
18
# ORCA AIMD Position Step 1599, t=1599.00 fs, E_Pot=-685.23514942 Hartree, Unit is Angstrom
 C     -0.0322061192     -1.9074551087      2.8907657943
 C     -0.6413215492     -0.9144167830      3.1487265900
 C     -1.1863755373      0.3096305288      3.0137945141
 C     -1.6350512438      1.3954354565      2.6805282045
 C     -1.7860893026      2.4127215632      1.8393843372
 C     -1.7950863401      3.1156228962      0.8598983641
 C     -1.6174387494      3.4867734037     -0.4312484974
 C     -1.2680840284      3.2027876445     -1.5634152774
 C     -0.7280519051      2.5803245943     -2.6206941442
 C     -0.0249246416      1.7149086640     -3.1125115830
 C      0.7304642374      0.6020268983     -3.3905059788
 C      1.2495636699     -0.5042350141     -3.2485879297
 C      1.4368937958     -1.7102617557     -2.7513487764
 C      1.5153532548     -2.7331987429     -2.1332038870
 C      1.6382055779     -3.5314787468     -1.0777458706
 C      1.4876762052     -3.8841394409      0.0830396278
 C      1.0767917401     -3.6224531954      1.3244057938
 C      0.5969295194     -2.8636315938      2.1429052340
18
# ORCA AIMD Position Step 1600, t=1600.00 fs, E_Pot=-685.23446099 Hartree, Unit is Angstrom
 C     -0.0348529038     -1.9127416710      2.8827636568
 C     -0.6417344945     -0.9168533552      3.1515975099
 C     -1.1875248162      0.3091398380      3.0140588007
 C     -1.6341532685      1.3884082676      2.6856853675
 C     -1.7809244049      2.4176997907      1.8359371888
 C     -1.7916791673      3.1131834932      0.8674146232
 C     -1.6123366084      3.4808145865     -0.4313090931
 C     -1.2670520391      3.1978287925     -1.5628873914
 C     -0.7230799940      2.5907503129     -2.6176257180
 C     -0.0266757994      1.7205359095     -3.1136076467
 C      0.7297442123      0.6064838950     -3.3874362223
 C      1.2531011088     -0.5007639575     -3.2476245353
 C      1.4451880729     -1.7097687777     -2.7519884290
 C      1.5167707034     -2.7282631904     -2.1384155226
 C      1.6297871399     -3.5346293109     -1.0808569541
 C      1.4828608306     -3.8824898974      0.0830205543
 C      1.0653522536     -3.6277471142      1.3262216522
 C      0.5963118113     -2.8649066677      2.1351481340
18
# ORCA AIMD Position Step 1601, t=1601.00 fs, E_Pot=-685.23347434 Hartree, Unit is Angstrom
 C     -0.0364919400     -1.9197679369      2.8739091913
 C     -0.6427947252     -0.9179079519      3.1546819075
 C     -1.1888903427      0.3084873538      3.0148722791
 C     -1.6328841259      1.3811265889      2.6907957526
 C     -1.7760597488      2.4221697060      1.8338670851
 C     -1.7883060423      3.1119275498      0.8732179262
 C     -1.6072787864      3.4745202805     -0.4311653623
 C     -1.2664476319      3.1935085871     -1.5619141410
 C     -0.7174043279      2.6006274535     -2.6149453632
 C     -0.0278739329      1.7255178084     -3.1151757548
 C      0.7288860382      0.6107903995     -3.3840465608
 C      1.2554778511     -0.4951488972     -3.2471256769
 C      1.4537720128     -1.7085976228     -2.7537366206
 C      1.5187621058     -2.7247465767     -2.1428476952
 C      1.6211261987     -3.5385383371     -1.0830359350
 C      1.4782520598     -3.8807465220      0.0817036567
 C      1.0540845269     -3.6330799086      1.3281104307
 C      0.5950381803     -2.8657332805      2.1288386949
18
# ORCA AIMD Position Step 1602, t=1602.00 fs, E_Pot=-685.23303859 Hartree, Unit is Angstrom
 C     -0.0375596405     -1.9277903916      2.8644875798
 C     -0.6441534316     -0.9181815047      3.1578129429
 C     -1.1902628222      0.3071562703      3.0164040420
 C     -1.6314978176      1.3744732819      2.6954219725
 C     -1.7714526480      2.4253087677      1.8341357649
 C     -1.7849434948      3.1123245488      0.8765389570
 C     -1.6023361763      3.4679293265     -0.4305856495
 C     -1.2663190585      3.1899395156     -1.5603942480
 C     -0.7108663185      2.6097065009     -2.6129395457
 C     -0.0285809224      1.7299789459     -3.1171456821
 C      0.7279251266      0.6148934091     -3.3803557480
 C      1.2567131050     -0.4874788626     -3.2470428658
 C      1.4626011488     -1.7063657590     -2.7567916484
 C      1.5213448105     -2.7230072405     -2.1462166453
 C      1.6122312970     -3.5430772629     -1.0844310982
 C      1.4737876829     -3.8789309987      0.0791904303
 C      1.0432548340     -3.6388013324      1.3295768207
 C      0.5929588953     -2.8659355386      2.1242418097
18
# ORCA AIMD Position Step 1603, t=1603.00 fs, E_Pot=-685.23374733 Hartree, Unit is Angstrom
 C     -0.0385892049     -1.9359043053      2.8548826487
 C     -0.6453997675     -0.9183904596      3.1607890821
 C     -1.1914607899      0.3047005646      3.0188009379
 C     -1.6302171993      1.3692057169      2.6992106165
 C     -1.7670785960      2.4266520428      1.8372493458
 C     -1.7815821192      3.1145480182      0.8770785938
 C     -1.5975837289      3.4611121959     -0.4293692127
 C     -1.2666555357      3.1871748533     -1.5583735412
 C     -0.7033780615      2.6178127525     -2.6117937952
 C     -0.0288515363      1.7340345306     -3.1194532129
 C      0.7268280270      0.6188924975     -3.3764099530
 C      1.2569163324     -0.4780674161     -3.2472910092
 C      1.4716390088     -1.7029364791     -2.7611857141
 C      1.5245092045     -2.7231026244     -2.1484412080
 C      1.6031454957     -3.5480747825     -1.0853491826
 C      1.4693700415     -3.8771071058      0.0758065936
 C      1.0330733129     -3.6451573879      1.3302193802
 C      0.5900500780     -2.8655137728      2.1214351447
18
# ORCA AIMD Position Step 1604, t=1604.00 fs, E_Pot=-685.23534064 Hartree, Unit is Angstrom
 C     -0.0401116146     -1.9432035893      2.8455257403
 C     -0.6461545076     -0.9192091135      3.1634143787
 C     -1.1923729329      0.3008581800      3.0221484030
 C     -1.6291847637      1.3658127142      2.7019454233
 C     -1.7629380426      2.4261876912      1.8431241608
 C     -1.7782277590      3.1183984610      0.8751346244
 C     -1.5930948592      3.4541709418     -0.4273782687
 C     -1.2673801317      3.1852076429     -1.5560456515
 C     -0.6949559485      2.6248729081     -2.6115595179
 C     -0.0287154985      1.7377652681     -3.1220535494
 C      0.7255015580      0.6230191809     -3.3722835654
 C      1.2562779828     -0.4674243148     -3.2477581986
 C      1.4808510253     -1.6984539349     -2.7667675793
 C      1.5282174417     -2.7247671663     -2.1496551691
 C      1.5939446535     -3.5533328510     -1.0862072679
 C      1.4648849731     -3.8753739240      0.0720372454
 C      1.0236673729     -3.6522334780      1.3298024464
 C      0.5864280476     -2.8646733032      2.1202794669
18
# ORCA AIMD Position Step 1605, t=1605.00 fs, E_Pot=-685.23685024 Hartree, Unit is Angstrom
 C     -0.0425678739     -1.9489323671      2.8368285995
 C     -0.6461438475     -0.9211395190      3.1655350824
 C     -1.1929905096      0.2956268331      3.0264475802
 C     -1.6284270704      1.3644169394      2.7035788730
 C     -1.7590483156      2.4243373742      1.8511300669
 C     -1.7749020162      3.1233335061      0.8715531460
 C     -1.5889284872      3.4472299484     -0.4245604870
 C     -1.2683604957      3.1839741657     -1.5537234171
 C     -0.6857269532      2.6309307455     -2.6121504326
 C     -0.0281717909      1.7412074757     -3.1249273138
 C      0.7238160780      0.6275916962     -3.3680714475
 C      1.2550481414     -0.4561961003     -3.2483163023
 C      1.4902012920     -1.6932934448     -2.7732337723
 C      1.5324107436     -2.7274677153     -2.1501729533
 C      1.5847253440     -3.5586523488     -1.0874667600
 C      1.4602199988     -3.8738497914      0.0684310024
 C      1.0150647102     -3.6599431101      1.3282895886
 C      0.5823289664     -2.8638027573      2.1204361209
18
# ORCA AIMD Position Step 1606, t=1606.00 fs, E_Pot=-685.23743234 Hartree, Unit is Angstrom
 C     -0.0462438348     -1.9526039462      2.8291149354
 C     -0.6452457042     -0.9244284543      3.1670660226
 C     -1.1934097866      0.2892691407      3.0316133013
 C     -1.6278489669      1.3647588031      2.7042342817
 C     -1.7554369972      2.4218017443      1.8602957680
 C     -1.7716361322      3.1286200999      0.8675150066
 C     -1.5851155392      3.4404133537     -0.4209723839
 C     -1.2694301849      3.1833744854     -1.5517704696
 C     -0.6759073071      2.6361424649     -2.6133617339
 C     -0.0271948472      1.7443638111     -3.1280815832
 C      0.7216352196      0.6329449214     -3.3638768458
 C      1.2535065092     -0.4450755552     -3.2488357065
 C      1.4996545896     -1.6879551061     -2.7801986807
 C      1.5370244853     -2.7305213228     -2.1504175384
 C      1.5755824795     -3.5638631715     -1.0895489345
 C      1.4552777710     -3.8726472663      0.0654842716
 C      1.0071974211     -3.6680616882      1.3258251217
 C      0.5780562758     -2.8634005346      2.1214382254
18
# ORCA AIMD Position Step 1607, t=1607.00 fs, E_Pot=-685.23693714 Hartree, Unit is Angstrom
 C     -0.0512299665     -1.9540705704      2.8225652911
 C     -0.6435027313     -0.9290389172      3.1680026944
 C     -1.1938050410      0.2822468987      3.0374950288
 C     -1.6272601417      1.3662773641      2.7041667620
 C     -1.7521330885      2.4193655627      1.8695698824
 C     -1.7684682574      3.1335124878      0.8642696764
 C     -1.5816529202      3.4338253408     -0.4167776311
 C     -1.2704118311      3.1832955021     -1.5505381751
 C     -0.6657682572      2.6407436271     -2.6149095906
 C     -0.0257543151      1.7472357742     -3.1315422061
 C      0.7188665730      0.6393360109     -3.3597992297
 C      1.2519167362     -0.4347058052     -3.2491971311
 C      1.5091725409     -1.6829370412     -2.7872738703
 C      1.5420003829     -2.7332284919     -2.1508358232
 C      1.5665934038     -3.5688452674     -1.0927565764
 C      1.4499893408     -3.8718557529      0.0635367846
 C      0.9999297127     -3.6762876186      1.3226782296
 C      0.5739069236     -2.8639670027      2.1227982296
18
# ORCA AIMD Position Step 1608, t=1608.00 fs, E_Pot=-685.23582823 Hartree, Unit is Angstrom
 C     -0.0574003104     -1.9535556742      2.8171869653
 C     -0.6411213524     -0.9346438164      3.1684238079
 C     -1.1943881671      0.2751246630      3.0439046788
 C     -1.6264166334      1.3682344931      2.7037104730
 C     -1.7491616682      2.4177409158      1.8780287173
 C     -1.7654361729      3.1373844756      0.8629051651
 C     -1.5785048584      3.4275401726     -0.4122355226
 C     -1.2711486354      3.1836342221     -1.5502867316
 C     -0.6555970124      2.6450105816     -2.6164841047
 C     -0.0238367413      1.7498481352     -3.1353398716
 C      0.7155005501      0.6468566600     -3.3559266141
 C      1.2504901660     -0.4255904623     -3.2493040917
 C      1.5187139788     -1.6786443632     -2.7941301597
 C      1.5472918982     -2.7349811282     -2.1518209118
 C      1.5578074388     -3.5735426366     -1.0972102721
 C      1.4443242772     -3.8715192097      0.0626917514
 C      0.9930923186     -3.6843044827      1.3191813666
 C      0.5701108866     -2.8659114565      2.1240988986
18
# ORCA AIMD Position Step 1609, t=1609.00 fs, E_Pot=-685.23472185 Hartree, Unit is Angstrom
 C     -0.0644300890     -1.9516166678      2.8128181194
 C     -0.6384401311     -0.9406812157      3.1684825783
 C     -1.1953660115      0.2684709367      3.0506472721
 C     -1.6250704445      1.3698634400      2.7032142195
 C     -1.7465407020      2.4174658869      1.8849953202
 C     -1.7625716224      3.1397992213      0.8642089855
 C     -1.5756102503      3.4215947190     -0.4076648092
 C     -1.2715231035      3.1843163649     -1.5511390699
 C     -0.6456575707      2.6492066778     -2.6178020129
 C     -0.0214752402      1.7522925565     -3.1394902864
 C      0.7116501699      0.6553612983     -3.3523336418
 C      1.2493514038     -0.4180316803     -3.2490888640
 C      1.5282312091     -1.6753368351     -2.8005303946
 C      1.5528652818     -2.7353294601     -2.1536638007
 C      1.5492470961     -3.5779556882     -1.1028340064
 C      1.4382940683     -3.8716377176      0.0627874772
 C      0.9865138875     -3.6918280462      1.3156770239
 C      0.5667925246     -2.8694879383      2.1250585446
18
# ORCA AIMD Position Step 1610, t=1610.00 fs, E_Pot=-685.23405499 Hartree, Unit is Angstrom
 C     -0.0718428069     -1.9490634291      2.8091623639
 C     -0.6358838028     -0.9464311808      3.1683893389
 C     -1.1969122725      0.2627895978      3.0575424385
 C     -1.6230085376      1.3704927746      2.7029821684
 C     -1.7442788674      2.4188408124      1.8901040258
 C     -1.7598924108      3.1405389685      0.8685854930
 C     -1.5728947471      3.4159880040     -0.4033984817
 C     -1.2714703921      3.1853056419     -1.5530546726
 C     -0.6361633257      2.6535416525     -2.6186469273
 C     -0.0187686232      1.7547532522     -3.1439782710
 C      0.7075652922      0.6644444098     -3.3490830970
 C      1.2485266891     -0.4121108277     -3.2485149825
 C      1.5376673140     -1.6731101998     -2.8063397399
 C      1.5586965550     -2.7340169291     -2.1565265625
 C      1.5409146681     -3.5821251339     -1.1093738853
 C      1.4319491994     -3.8721703458      0.0634197015
 C      0.9800450801     -3.6986385185      1.3124757901
 C      0.5639638099     -2.8747747826      2.1255510118
18
# ORCA AIMD Position Step 1611, t=1611.00 fs, E_Pot=-685.23396990 Hartree, Unit is Angstrom
 C     -0.0790915697     -1.9468190552      2.8058521856
 C     -0.6338952097     -0.9511366472      3.1683806654
 C     -1.1991493587      0.2584781722      3.0644369105
 C     -1.6200804179      1.3696435535      2.7032297823
 C     -1.7423738268      2.4218909395      1.8933303440
 C     -1.7573989292      3.1396080127      0.8760143507
 C     -1.5702848515      3.4106883004     -0.3997297052
 C     -1.2709832325      3.1866050918     -1.5558324890
 C     -0.6272575924      2.6581436233     -2.6188985181
 C     -0.0158841544      1.7575088579     -3.1487503209
 C      0.7036120879      0.6734787152     -3.3462279938
 C      1.2479550406     -0.4077114011     -3.2475758278
 C      1.5469559835     -1.6719059155     -2.8115198870
 C      1.5647663609     -2.7309887619     -2.1604302496
 C      1.5328026070     -3.5861039379     -1.1164617548
 C      1.4253694258     -3.8730495447      0.0640148106
 C      0.9735769154     -3.7045990048      1.3098221021
 C      0.5615391322     -2.8816877969      2.1255955889
18
# ORCA AIMD Position Step 1612, t=1612.00 fs, E_Pot=-685.23438270 Hartree, Unit is Angstrom
 C     -0.0856692430     -1.9457331295      2.8025341554
 C     -0.6328475189     -0.9541577216      3.1686712251
 C     -1.2021383286      0.2557930099      3.0712171610
 C     -1.6162179345      1.3670933782      2.7040566745
 C     -1.7408098053      2.4263518066      1.8950008437
 C     -1.7550752250      3.1372329100      0.8860436631
 C     -1.5677151817      3.4056388310     -0.3968834695
 C     -1.2701052048      3.1882480270     -1.5591355498
 C     -0.6190124575      2.6630552575     -2.6185339265
 C     -0.0130458908      1.7609144271     -3.1537144773
 C      0.7002285813      0.6816987329     -3.3438141006
 C      1.2475167125     -0.4045803208     -3.2462878310
 C      1.5560246997     -1.6715196966     -2.8161248439
 C      1.5710546819     -2.7263868253     -2.1652595867
 C      1.5249026834     -3.5899383821     -1.1236840987
 C      1.4186475103     -3.8741922947      0.0639325811
 C      0.9670555244     -3.7096694091      1.3078587521
 C      0.5593638279     -2.8900143981      2.1253281377
18
# ORCA AIMD Position Step 1613, t=1613.00 fs, E_Pot=-685.23502171 Hartree, Unit is Angstrom
 C     -0.0912175756     -1.9463947211      2.7989517080
 C     -0.6329592385     -0.9551292889      3.1694009933
 C     -1.2058731655      0.2548226309      3.0778201374
 C     -1.6114449520      1.3629079788      2.7054355295
 C     -1.7395576473      2.4316848501      1.8957694225
 C     -1.7528892144      3.1338452032      0.8978293141
 C     -1.5651389759      3.4007690824     -0.3949813946
 C     -1.2689207841      3.1902913598     -1.5625419298
 C     -0.6114355365      2.6682455404     -2.6176191233
 C     -0.0104869302      1.7653329256     -3.1587615958
 C      0.6978454462      0.6883400221     -3.3418766983
 C      1.2470715218     -0.4023995778     -3.2446851616
 C      1.5648008966     -1.6716367175     -2.8202830586
 C      1.5775388512     -2.7205282359     -2.1707773676
 C      1.5172130467     -3.5936433873     -1.1306661946
 C      1.4118698282     -3.8755157324      0.0625794668
 C      0.9604907310     -3.7139130718      1.3065980207
 C      0.5572429412     -2.8994510870      2.1249706500
18
# ORCA AIMD Position Step 1614, t=1614.00 fs, E_Pot=-685.23547666 Hartree, Unit is Angstrom
 C     -0.0956083452     -1.9489923827      2.7950094976
 C     -0.6342356938     -0.9540713973      3.1705928269
 C     -1.2102788187      0.2554670008      3.0842436827
 C     -1.6058781640      1.3574368690      2.7072222052
 C     -1.7385763427      2.4371383907      1.8965467088
 C     -1.7507996567      3.1300376894      0.9102327804
 C     -1.5625314500      3.3960087974     -0.3940349179
 C     -1.2675375270      3.1928020050     -1.5656076872
 C     -0.6044870401      2.6736384960     -2.6162830163
 C     -0.0083949151      1.7710524815     -3.1637898204
 C      0.6968056466      0.6927836459     -3.3404366832
 C      1.2464949013     -0.4008579946     -3.2428122402
 C      1.5732207694     -1.6718734246     -2.8241765883
 C      1.5841914931     -2.7138637581     -2.1766556868
 C      1.5097418323     -3.5971931185     -1.1371348029
 C      1.4050977355     -3.8769461539      0.0595061670
 C      0.9539564553     -3.7174935181      1.3059058902
 C      0.5549715346     -2.9096483080      2.1247955316
18
# ORCA AIMD Position Step 1615, t=1615.00 fs, E_Pot=-685.23557709 Hartree, Unit is Angstrom
 C     -0.0989329312     -1.9533184917      2.7907676752
 C     -0.6364863976     -0.9513678288      3.1721430241
 C     -1.2151942521      0.2573885104      3.0905614507
 C     -1.5997264801      1.3513002949      2.7091705122
 C     -1.7378164313      2.4418387127      1.8983913340
 C     -1.7487604729      3.1265037133      0.9219496546
 C     -1.5598977504      3.3912917963     -0.3939245658
 C     -1.2660359516      3.1958289812     -1.5679832256
 C     -0.5981358203      2.6791697296     -2.6146380985
 C     -0.0068459341      1.7781984166     -3.1687375370
 C      0.6972839709      0.6946974950     -3.3394951900
 C      1.2457213085     -0.3997648357     -3.2407064558
 C      1.5812285787     -1.6717799063     -2.8280304766
 C      1.5909832739     -2.7069316444     -2.1825128509
 C      1.5025152338     -3.6005067273     -1.1429911146
 C      1.3983433061     -3.8784464241      0.0545148714
 C      0.9475921949     -3.7206517025      1.3054915601
 C      0.5523303613     -2.9202229086      2.1251187538
18
# ORCA AIMD Position Step 1616, t=1616.00 fs, E_Pot=-685.23544011 Hartree, Unit is Angstrom
 C     -0.1014927610     -1.9588059316      2.7864486017
 C     -0.6393551937     -0.9477124837      3.1738482454
 C     -1.2204206850      0.2601121724      3.0969039351
 C     -1.5932467685      1.3452423042      2.7110032214
 C     -1.7372305736      2.4450057843      1.9022541620
 C     -1.7467289194      3.1238725377      0.9317898042
 C     -1.5572602906      3.3865774051     -0.3944579366
 C     -1.2645046549      3.1994243431     -1.5693781392
 C     -0.5923292516      2.6847783070     -2.6128239801
 C     -0.0057856393      1.7866954987     -3.1735961180
 C      0.6992697570      0.6940696516     -3.3390334695
 C      1.2447365383     -0.3989947057     -3.2384155119
 C      1.5887917107     -1.6709938909     -2.8320382344
 C      1.5978809068     -2.7002598134     -2.1879755094
 C      1.4955685706     -3.6034681926     -1.1482730467
 C      1.3915829627     -3.8799891569      0.0476066908
 C      0.9415606296     -3.7236639900      1.3049902948
 C      0.5491529923     -2.9308567341      2.1262050273
18
# ORCA AIMD Position Step 1617, t=1617.00 fs, E_Pot=-685.23547727 Hartree, Unit is Angstrom
 C     -0.1037023766     -1.9646920798      2.7823699106
 C     -0.6424120752     -0.9439420859      3.1754529652
 C     -1.2257326867      0.2630592339      3.1034455795
 C     -1.5867166801      1.3400447678      2.7124499314
 C     -1.7367808016      2.4461243587      1.9087530021
 C     -1.7446713060      3.1225660184      0.9389141538
 C     -1.5546582274      3.3818523267     -0.3953874162
 C     -1.2630110134      3.2036271868     -1.5696195163
 C     -0.5870248067      2.6904302115     -2.6109620006
 C     -0.0050236340      1.7962551121     -3.1784107646
 C      0.7025573828      0.6912305461     -3.3390188939
 C      1.2435858093     -0.3985143606     -3.2359913997
 C      1.5959000434     -1.6692822851     -2.8363348216
 C      1.6048485871     -2.6943088907     -2.1927251464
 C      1.4889504412     -3.6059337159     -1.1531468096
 C      1.3847537257     -3.8815610973      0.0389940117
 C      0.9360266026     -3.7267947511      1.3040053872
 C      0.5453340620     -2.9413181758      2.1282398487
18
# ORCA AIMD Position Step 1618, t=1618.00 fs, E_Pot=-685.23596420 Hartree, Unit is Angstrom
 C     -0.1059730555     -1.9702155342      2.7788526793
 C     -0.6452577901     -0.9408441949      3.1767060649
 C     -1.2308864598      0.2655861564      3.1103776104
 C     -1.5804083677      1.3364388391      2.7132830245
 C     -1.7364390306      2.4450740136      1.9179896300
 C     -1.7425627915      3.1226856953      0.9430033628
 C     -1.5521555615      3.3771292394     -0.3963907475
 C     -1.2615522964      3.2084282639     -1.5687345878
 C     -0.5822346871      2.6961484425     -2.6090935090
 C     -0.0042710489      1.8064282138     -3.1832627964
 C      0.7067773425      0.6868127618     -3.3394194297
 C      1.2423900181     -0.3984519221     -3.2334699185
 C      1.6025541700     -1.6665360966     -2.8409833396
 C      1.6118425791     -2.6894051503     -2.1965410856
 C      1.4827271204     -3.6077367212     -1.1579225806
 C      1.3777666640     -3.8831887920      0.0291044840
 C      0.9311342547     -3.7302440185      1.3021727813
 C      0.5408155478     -2.9514543189      2.1313269707
18
# ORCA AIMD Position Step 1619, t=1619.00 fs, E_Pot=-685.23673153 Hartree, Unit is Angstrom
 C     -0.1086425737     -1.9747463595      2.7761718923
 C     -0.6475833660     -0.9390406213      3.1774029184
 C     -1.2356724092      0.2671376354      3.1178569109
 C     -1.5745316390      1.3349283192      2.7133871869
 C     -1.7361924616      2.4421910663      1.9294773404
 C     -1.7403900546      3.1239728586      0.9443262058
 C     -1.5498323912      3.3724463439     -0.3971103121
 C     -1.2600759192      3.2137860253     -1.5669080640
 C     -0.5779971396      2.7019775773     -2.6072159875
 C     -0.0031969836      1.8166845899     -3.1882447257
 C      0.7114603198      0.6816413825     -3.3402085538
 C      1.2413136529     -0.3990167957     -3.2308838483
 C      1.6087683220     -1.6628414473     -2.8459382974
 C      1.6188156560     -2.6856942573     -2.1993327206
 C      1.4769771177     -3.6087114415     -1.1629819241
 C      1.3705219568     -3.8849181855      0.0184903106
 C      0.9269674463     -3.7340997536      1.2992432487
 C      0.5356095453     -2.9612249145      2.1354391342
18
# ORCA AIMD Position Step 1620, t=1620.00 fs, E_Pot=-685.23732103 Hartree, Unit is Angstrom
 C     -0.1119235055     -1.9778870887      2.7745116502
 C     -0.6492102285     -0.9389048300      3.1774137761
 C     -1.2399531766      0.2673675502      3.1259620208
 C     -1.5691921454      1.3356584390      2.7128082034
 C     -1.7360440422      2.4381945585      1.9422531376
 C     -1.7381522433      3.1258902178      0.9436230081
 C     -1.5477754112      3.3678588013     -0.3971842839
 C     -1.2584919971      3.2196341932     -1.5644412705
 C     -0.5743508280      2.7079537594     -2.6053084175
 C     -0.0014909741      1.8265084364     -3.1934304911
 C      0.7161136574      0.6766014480     -3.3413684524
 C      1.2405285582     -0.4004276898     -3.2282683283
 C      1.6145727438     -1.6584840222     -2.8510447204
 C      1.6257212753     -2.6831289444     -2.2011488992
 C      1.4717806129     -3.6087181938     -1.1687076234
 C      1.3629241799     -3.8868023435      0.0077361416
 C      0.9235277612     -3.7383188013      1.2951286541
 C      0.5297937852     -2.9706994845      2.1404119358
18
# ORCA AIMD Position Step 1621, t=1621.00 fs, E_Pot=-685.23736365 Hartree, Unit is Angstrom
 C     -0.1158768026     -1.9795267291      2.7739374350
 C     -0.6501075788     -0.9405274464      3.1766973074
 C     -1.2436791970      0.2662046439      3.1346680856
 C     -1.5643751386      1.3383663933      2.7117676477
 C     -1.7360106015      2.4340169242      1.9551155731
 C     -1.7358605421      3.1277766925      0.9418759492
 C     -1.5460663071      3.3634282917     -0.3962883957
 C     -1.2566896444      3.2258928221     -1.5616911996
 C     -0.5713083326      2.7140734828     -2.6033598315
 C      0.0010865043      1.8354837792     -3.1988486792
 C      0.7202981842      0.6724962862     -3.3428877266
 C      1.2401721782     -0.4028309955     -3.2256669336
 C      1.6200148699     -1.6539057034     -2.8560632758
 C      1.6325158730     -2.6814970602     -2.2021596922
 C      1.4672056606     -3.6076632470     -1.1754065485
 C      1.3548966057     -3.8888910221     -0.0026425706
 C      0.9207368574     -3.7427377102      1.2899076664
 C      0.5234891485     -2.9800305827      2.1459707703
18
# ORCA AIMD Position Step 1622, t=1622.00 fs, E_Pot=-685.23681795 Hartree, Unit is Angstrom
 C     -0.1204057034     -1.9798555229      2.7743885782
 C     -0.6503870057     -0.9437220163      3.1753006248
 C     -1.2468802367      0.2638420487      3.1438495908
 C     -1.5599605368      1.3424311296      2.7106373060
 C     -1.7361190710      2.4306188373      1.9668717782
 C     -1.7335344909      3.1290027894      0.9400702802
 C     -1.5447687304      3.3592114048     -0.3941795819
 C     -1.2545578890      3.2324816573     -1.5589980445
 C     -0.5688351125      2.7202694616     -2.6013941087
 C      0.0046702963      1.8433518651     -3.2044631215
 C      0.7236925117      0.6699227243     -3.3447549065
 C      1.2403066594     -0.4062207745     -3.2231388014
 C      1.6251561996     -1.6496308252     -2.8607148416
 C      1.6391657299     -2.6804828367     -2.2026164953
 C      1.4632983121     -3.6055189620     -1.1832396496
 C      1.3463871633     -3.8912139808     -0.0122812166
 C      0.9184478920     -3.7471057346      1.2837977598
 C      0.5168332412     -2.9894101321      2.1517737400
18
# ORCA AIMD Position Step 1623, t=1623.00 fs, E_Pot=-685.23594247 Hartree, Unit is Angstrom
 C     -0.1252764160     -1.9793306809      2.7756910443
 C     -0.6502803162     -0.9480649179      3.1733495649
 C     -1.2496380902      0.2606606615      3.1533062314
 C     -1.5557607768      1.3470074745      2.7098776962
 C     -1.7364013455      2.4288383779      1.9765220908
 C     -1.7311988768      3.1290727310      0.9390282875
 C     -1.5439152125      3.3552539032     -0.3907418118
 C     -1.2520104782      3.2393328188     -1.5566085669
 C     -0.5668361283      2.7263987829     -2.5994901354
 C      0.0092822321      1.8500249785     -3.2101672463
 C      0.7261277659      0.6691958914     -3.3469500035
 C      1.2408927633     -0.4103853534     -3.2207636833
 C      1.6300674411     -1.6461838198     -2.8647289826
 C      1.6456491328     -2.6797385618     -2.2028036926
 C      1.4600743358     -3.6023371905     -1.1921730509
 C      1.3373776851     -3.8937670519     -0.0210238376
 C      0.9164674463     -3.7511304463      1.2771091777
 C      0.5099591340     -2.9990253701      2.1574608342
18
# ORCA AIMD Position Step 1624, t=1624.00 fs, E_Pot=-685.23514147 Hartree, Unit is Angstrom
 C     -0.1301534805     -1.9786109436      2.7775859146
 C     -0.6501026005     -0.9529653353      3.1710298037
 C     -1.2520525380      0.2571280856      3.1627997198
 C     -1.5515725021      1.3512136371      2.7099477387
 C     -1.7368833799      2.4292707267      1.9833835356
 C     -1.7288810871      3.1276740388      0.9393173106
 C     -1.5434982449      3.3515879245     -0.3860154564
 C     -1.2490002628      3.2463940502     -1.5546278283
 C     -0.5651639690      2.7322550153     -2.5977776839
 C      0.0148402853      1.8555728616     -3.2157929111
 C      0.7275929394      0.6703309473     -3.3494386639
 C      1.2417926070     -0.4149167532     -3.2186406836
 C      1.6348176284     -1.6440018105     -2.8678902439
 C      1.6519580160     -2.6789521712     -2.2029929778
 C      1.4575170422     -3.5982499658     -1.2019671819
 C      1.3278839070     -3.8965071761     -0.0289291233
 C      0.9145846028     -3.7545208851      1.2701892390
 C      0.5029763088     -3.0090214480      2.1626967690
18
# ORCA AIMD Position Step 1625, t=1625.00 fs, E_Pot=-685.23476385 Hartree, Unit is Angstrom
 C     -0.1346582296     -1.9784467329      2.7797737379
 C     -0.6501974348     -0.9577683143      3.1685580996
 C     -1.2542173717      0.2537108658      3.1720887045
 C     -1.5472221483      1.3543057308      2.7112168357
 C     -1.7375740964      2.4321803932      1.9871636573
 C     -1.7266080203      3.1246939523      0.9412100746
 C     -1.5434671531      3.3482351395     -0.3802119003
 C     -1.2455267265      3.2536270313     -1.5529946717
 C     -0.5636374913      2.7375922127     -2.5964215503
 C      0.0211810066      1.8601866918     -3.2211292900
 C      0.7282127302      0.6730786990     -3.3521722557
 C      1.2427944341     -0.4192666292     -3.2168792958
 C      1.6394624279     -1.6433655413     -2.8700717757
 C      1.6580957478     -2.6778961952     -2.2034092614
 C      1.4555782587     -3.5934626108     -1.2122020900
 C      1.3179565124     -3.8993525055     -0.0362374353
 C      0.9125952446     -3.7570257511      1.2633720969
 C      0.4959671094     -3.0194808385      2.1672021632
18
# ORCA AIMD Position Step 1626, t=1626.00 fs, E_Pot=-685.23493453 Hartree, Unit is Angstrom
 C     -0.1384310893     -1.9795552104      2.7819659833
 C     -0.6508774094     -0.9618752925      3.1661456694
 C     -1.2561997536      0.2508035082      3.1809581846
 C     -1.5426065677      1.3558207868      2.7138945576
 C     -1.7384528467      2.4374513287      1.9879915569
 C     -1.7244062909      3.1202157419      0.9446776435
 C     -1.5437319833      3.3452119641     -0.3736852609
 C     -1.2416296478      3.2609961735     -1.5515110542
 C     -0.5620692608      2.7421598348     -2.5955901212
 C      0.0280838062      1.8641376888     -3.2259480061
 C      0.7282057842      0.6770080278     -3.3550920053
 C      1.2436631595     -0.4228597157     -3.2155841389
 C      1.6440295133     -1.6443389442     -2.8712580566
 C      1.6640741736     -2.6764605761     -2.2042090841
 C      1.4541848579     -3.5882332077     -1.2223352933
 C      1.3076711760     -3.9021953274     -0.0432940184
 C      0.9103268525     -3.7584530848      1.2569345641
 C      0.4889838974     -3.0304178332      2.1707667741
18
# ORCA AIMD Position Step 1627, t=1627.00 fs, E_Pot=-685.23541783 Hartree, Unit is Angstrom
 C     -0.1412135811     -1.9824640682      2.7839452070
 C     -0.6523529152     -0.9648825145      3.1639531083
 C     -1.2580388944      0.2486970756      3.1892353192
 C     -1.5377034504      1.3556245008      2.7180079699
 C     -1.7394687552      2.4445878014      1.9864177996
 C     -1.7222990887      3.1145120939      0.9493923601
 C     -1.5441717137      3.3425342156     -0.3669027489
 C     -1.2373810491      3.2684621159     -1.5498731524
 C     -0.5602886079      2.7457357343     -2.5954300330
 C      0.0353002994      1.8677334878     -3.2300286193
 C      0.7278423471      0.6815848336     -3.3581360774
 C      1.2441785798     -0.4251774850     -3.2148410177
 C      1.6485134723     -1.6467538538     -2.8715511898
 C      1.6699109587     -2.6746602060     -2.2054691823
 C      1.4532453904     -3.5828510300     -1.2317739024
 C      1.2971237397     -3.9049129173     -0.0504794916
 C      0.9076514108     -3.7586943355      1.2510657108
 C      0.4820563698     -3.0417833172      2.1732622466
18
# ORCA AIMD Position Step 1628, t=1628.00 fs, E_Pot=-685.23572795 Hartree, Unit is Angstrom
 C     -0.1429073101     -1.9873960321      2.7856108471
 C     -0.6546812765     -0.9666858833      3.1620536637
 C     -1.2597440596      0.2475542475      3.1968052096
 C     -1.5325710423      1.3539002475      2.7234159664
 C     -1.7405459010      2.4527784403      1.9833600572
 C     -1.7203032557      3.1080242716      0.9547514064
 C     -1.5446493503      3.3402179571     -0.3603776631
 C     -1.2328649164      3.2759747333     -1.5477388967
 C     -0.5581653269      2.7481601880     -2.5960373597
 C      0.0425831109      1.8712787699     -3.2331843332
 C      0.7274034610      0.6862582106     -3.3612474027
 C      1.2441716757     -0.4258379856     -3.2147051011
 C      1.6528750052     -1.6502235707     -2.8711605957
 C      1.6756283887     -2.6726280133     -2.2071853048
 C      1.4526615214     -3.5776046453     -1.2399576290
 C      1.2864131643     -3.9073839725     -0.0581339304
 C      0.9044958477     -3.7577333668      1.2458423780
 C      0.4751918806     -3.0534781621      2.1746456046
18
# ORCA AIMD Position Step 1629, t=1629.00 fs, E_Pot=-685.23541896 Hartree, Unit is Angstrom
 C     -0.1435897773     -1.9942385611      2.7869894040
 C     -0.6577574103     -0.9675039336      3.1604235710
 C     -1.2612942599      0.2473948127      3.2036205728
 C     -1.5273308937      1.3510898571      2.7298521194
 C     -1.7415975787      2.4610099904      1.9799948086
 C     -1.7184281624      3.1013158969      0.9599459636
 C     -1.5450300413      3.3382824035     -0.3545969608
 C     -1.2281483297      3.2834676035     -1.5448132931
 C     -0.5556316756      2.7493610063     -2.5974270297
 C      0.0497178122      1.8750379083     -3.2352824752
 C      0.7271393677      0.6905420814     -3.3643821456
 C      1.2435504802     -0.4246525470     -3.2151936997
 C      1.6570459746     -1.6541799736     -2.8703815712
 C      1.6812518773     -2.6705939691     -2.2092837965
 C      1.4523396911     -3.5727488592     -1.2464333810
 C      1.2756221787     -3.9095077455     -0.0664829788
 C      0.9008450458     -3.7556399251      1.2412139727
 C      0.4683745300     -3.0653690121      2.1749539280
18
# ORCA AIMD Position Step 1630, t=1630.00 fs, E_Pot=-685.23448984 Hartree, Unit is Angstrom
 C     -0.1434906974     -2.0025889388      2.7882179866
 C     -0.6613437215     -0.9678218039      3.1589545989
 C     -1.2626375064      0.2480955686      3.2097018984
 C     -1.5221450460      1.3477958255      2.7369831467
 C     -1.7425399334      2.4682282106      1.9775879858
 C     -1.7166761513      3.0949935999      0.9640780680
 C     -1.5451969610      3.3367478584     -0.3499583349
 C     -1.2232610651      3.2908574623     -1.5409096659
 C     -0.5526951514      2.7493712718     -2.5995190125
 C      0.0565504008      1.8791976623     -3.2362585653
 C      0.7272411274      0.6940779965     -3.3675139741
 C      1.2423064401     -0.4216317837     -3.2162883191
 C      1.6609395602     -1.6579541029     -2.8695557240
 C      1.6868073139     -2.6688498692     -2.2116392731
 C      1.4522049690     -3.5684744184     -1.2509119614
 C      1.2648028214     -3.9112175526     -0.0755988497
 C      0.8967384315     -3.7525605074      1.2370055343
 C      0.4615620819     -3.0772990577      2.1742985469
18
# ORCA AIMD Position Step 1631, t=1631.00 fs, E_Pot=-685.23347436 Hartree, Unit is Angstrom
 C     -0.1429417001     -2.0118529926      2.7895050708
 C     -0.6651238747     -0.9682838801      3.1574865680
 C     -1.2636942504      0.2494042518      3.2151280896
 C     -1.5171926378      1.3446890079      2.7444608921
 C     -1.7433015230      2.4735192931      1.9772660392
 C     -1.7150452006      3.0895855320      0.9663574840
 C     -1.5450631674      3.3356369932     -0.3467345063
 C     -1.2181818115      3.2980425711     -1.5359968513
 C     -0.5494469300      2.7483375738     -2.6021297097
 C      0.0630081198      1.8838343678     -3.2361243905
 C      0.7278190658      0.6966782157     -3.3706351189
 C      1.2405112329     -0.4169703625     -3.2179400181
 C      1.6644622814     -1.6608792752     -2.8690168474
 C      1.6923169305     -2.6676864481     -2.2141109754
 C      1.4522120690     -3.5648910117     -1.2533034913
 C      1.2539698296     -3.9124878702     -0.0853754184
 C      0.8922623520     -3.7487084835      1.2329301092
 C      0.4546872668     -3.0890916984      2.1728584694
18
# ORCA AIMD Position Step 1632, t=1632.00 fs, E_Pot=-685.23302561 Hartree, Unit is Angstrom
 C     -0.1423054420     -2.0213785386      2.7910771356
 C     -0.6687723669     -0.9695498338      3.1558500058
 C     -1.2643621396      0.2509717995      3.2200141770
 C     -1.5126469646      1.3424180307      2.7519641276
 C     -1.7438249109      2.4762733438      1.9797737510
 C     -1.7135380084      3.0854117299      0.9663249018
 C     -1.5445809842      3.3349755457     -0.3450498962
 C     -1.2128339603      3.3049026151     -1.5302280540
 C     -0.5460598992      2.7465160635     -2.6049770693
 C      0.0691084176      1.8888941312     -3.2349678641
 C      0.7288880952      0.6983539324     -3.3737555523
 C      1.2383109518     -0.4110291822     -3.2200748962
 C      1.6675224296     -1.6623862293     -2.8690386498
 C      1.6977923241     -2.6673323962     -2.2165812587
 C      1.4523544891     -3.5620169428     -1.2537327485
 C      1.2431026857     -3.9133415148     -0.0955191864
 C      0.8875359110     -3.7443392983      1.2286257110
 C      0.4476644124     -3.1005527800      2.1708625889
18
# ORCA AIMD Position Step 1633, t=1633.00 fs, E_Pot=-685.23334784 Hartree, Unit is Angstrom
 C     -0.1419143013     -2.0305688594      2.7931323434
 C     -0.6720125658     -0.9721701273      3.1539027184
 C     -1.2645258096      0.2524062870      3.2244801559
 C     -1.5086554008      1.3415183231      2.7592351547
 C     -1.7440648589      2.4762935002      1.9852916133
 C     -1.7121697601      3.0824947531      0.9640215145
 C     -1.5437471173      3.3347914461     -0.3448730233
 C     -1.2070938713      3.3113021729     -1.5239431733
 C     -0.5427750257      2.7442561594     -2.6076997423
 C      0.0749509870      1.8941916536     -3.2329467956
 C      0.7303663482      0.6993165197     -3.3768986584
 C      1.2359160031     -0.4043069323     -3.2226001435
 C      1.6700389505     -1.6620901368     -2.8697859387
 C      1.7032288326     -2.6678917920     -2.2189943458
 C      1.4526685900     -3.5597813055     -1.2525333240
 C      1.2321544041     -3.9138514637     -0.1055640425
 C      0.8826920088     -3.7397228610      1.2237092251
 C      0.4404019513     -3.1114757887      2.1685646558
18
# ORCA AIMD Position Step 1634, t=1634.00 fs, E_Pot=-685.23404259 Hartree, Unit is Angstrom
 C     -0.1420243813     -2.0389721453      2.7958053989
 C     -0.6746591769     -0.9764942782      3.1515551872
 C     -1.2640733752      0.2533421353      3.2286193312
 C     -1.5053165430      1.3423249866      2.7661144672
 C     -1.7439880918      2.4738123789      1.9933954192
 C     -1.7109712196      3.0805518594      0.9600174465
 C     -1.5426038913      3.3351110540     -0.3460194946
 C     -1.2008056691      3.3171019288     -1.5176400842
 C     -0.5398714359      2.7419648511     -2.6098957423
 C      0.0806972551      1.8994385289     -3.2302711970
 C      0.7320885147      0.6999482993     -3.3800980263
 C      1.2335812790     -0.3973961718     -3.2254115818
 C      1.6719507385     -1.6598509607     -2.8712831748
 C      1.7086044071     -2.6693006455     -2.2213823212
 C      1.4532300433     -3.5580362661     -1.2502143298
 C      1.2210618397     -3.9141353621     -0.1149229756
 C      0.8778508705     -3.7351100806      1.2178428665
 C      0.4328197889     -3.1216602056      2.1662088212
18
# ORCA AIMD Position Step 1635, t=1635.00 fs, E_Pot=-685.23456878 Hartree, Unit is Angstrom
 C     -0.1427860746     -2.0463435614      2.7991477102
 C     -0.6766418145     -0.9826208027      3.1487838079
 C     -1.2629143055      0.2535103808      3.2324729251
 C     -1.5026618811      1.3449055730      2.7725693365
 C     -1.7435773126      2.4694060930      2.0031881154
 C     -1.7099826838      3.0790798549      0.9552666222
 C     -1.5412340870      3.3359536682     -0.3481708015
 C     -1.1937999955      3.3221758117     -1.5119128820
 C     -0.5376210094      2.7400494588     -2.6111764402
 C      0.0865337444      1.9043048436     -3.2271708055
 C      0.7338411671      0.7007359643     -3.3833920852
 C      1.2315759544     -0.3909134334     -3.2284053926
 C      1.6732228382     -1.6557850081     -2.8734145791
 C      1.7138837142     -2.6713227582     -2.2238691373
 C      1.4541429225     -3.5565828978     -1.2473894107
 C      1.2097555351     -3.9143395916     -0.1229786161
 C      0.8730885476     -3.7306950679      1.2108009472
 C      0.4248633138     -3.1309414781      2.1639867076
18
# ORCA AIMD Position Step 1636, t=1636.00 fs, E_Pot=-685.23473736 Hartree, Unit is Angstrom
 C     -0.1442325762     -2.0526702063      2.8031229831
 C     -0.6780127344     -0.9903902988      3.1456331420
 C     -1.2609922436      0.2527842046      3.2360163342
 C     -1.5006471427      1.3490389164      2.7787039861
 C     -1.7428360430      2.4638418782      2.0135363120
 C     -1.7092423376      3.0774932655      0.9508574630
 C     -1.5397470286      3.3373263273     -0.3509163654
 C     -1.1859181658      3.3264270003     -1.5073614487
 C     -0.5362361542      2.7388497358     -2.6112286445
 C      0.0926258874      1.9084990881     -3.2238507566
 C      0.7354086315      0.7021711290     -3.3868177307
 C      1.2301451591     -0.3854104514     -3.2314927177
 C      1.6738499833     -1.6502241367     -2.8759527401
 C      1.7190224955     -2.6735893170     -2.2266482359
 C      1.4555195923     -3.5552063726     -1.2446748188
 C      1.1981760726     -3.9146136626     -0.1292041828
 C      0.8684118739     -3.7265863334      1.2025241363
 C      0.4165161347     -3.1392168633      2.1620013695
18
# ORCA AIMD Position Step 1637, t=1637.00 fs, E_Pot=-685.23479498 Hartree, Unit is Angstrom
 C     -0.1462855466     -2.0581623899      2.8076137222
 C     -0.6789327598     -0.9994093790      3.1422107518
 C     -1.2582870707      0.2511871447      3.2391636378
 C     -1.4991628629      1.3542477283      2.7847394926
 C     -1.7417905362      2.4579286176      2.0233020480
 C     -1.7087773606      3.0752542573      0.9477701304
 C     -1.5382570488      3.3392186773     -0.3538132986
 C     -1.1770418745      3.3297954841     -1.5044879553
 C     -0.5358208036      2.7385766786     -2.6098682027
 C      0.0990659700      1.9118426704     -3.2204495601
 C      0.7366271063      0.7046389070     -3.3904007060
 C      1.2294676079     -0.3812836576     -3.2346132335
 C      1.6738552065     -1.6436383378     -2.8786099098
 C      1.7239707263     -2.6756702223     -2.2299385217
 C      1.4574559105     -3.5537171173     -1.2425771186
 C      1.1862985797     -3.9150777038     -0.1332836983
 C      0.8637474701     -3.7227955650      1.1931509097
 C      0.4078068035     -3.1464559102      2.1602489768
18
# ORCA AIMD Position Step 1638, t=1638.00 fs, E_Pot=-685.23509793 Hartree, Unit is Angstrom
 C     -0.1487724882     -2.0632114928      2.8124376617
 C     -0.6796499388     -1.0091018476      3.1386741497
 C     -1.2548132728      0.2488655934      3.2417816722
 C     -1.4980543697      1.3598797638      2.7909708374
 C     -1.7404847483      2.4523922964      2.0315184997
 C     -1.7085938253      3.0719642216      0.9467056462
 C     -1.5368595471      3.3415992850     -0.3564588658
 C     -1.1671285485      3.3322653750     -1.5035934837
 C     -0.5363412636      2.7392732176     -2.6070780395
 C      0.1058399156      1.9143163369     -3.2170131981
 C      0.7374258676      0.7083236724     -3.3941458782
 C      1.2296230448     -0.3787023360     -3.2377454885
 C      1.6732834539     -1.6365472991     -2.8810921293
 C      1.7286783192     -2.6771534579     -2.2339313535
 C      1.4600064752     -3.5519846242     -1.2414034474
 C      1.1741601137     -3.9157950919     -0.1352037952
 C      0.8589461584     -3.7192473028      1.1830150039
 C      0.3988079206     -3.1526924631      2.1586265289
18
# ORCA AIMD Position Step 1639, t=1639.00 fs, E_Pot=-685.23574846 Hartree, Unit is Angstrom
 C     -0.1514616615     -2.0683176500      2.8173735829
 C     -0.6804599146     -1.0187874957      3.1352131696
 C     -1.2506127998      0.2460428777      3.2437171430
 C     -1.4971485863      1.3652231805      2.7977072015
 C     -1.7389720294      2.4477865009      2.0374986619
 C     -1.7086768887      3.0674094097      0.9479984209
 C     -1.5356063766      3.3444150668     -0.3585570176
 C     -1.1562421532      3.3338682309     -1.5046965099
 C     -0.5376183010      2.7408069115     -2.6030188731
 C      0.1128165933      1.9160694516     -3.2134928531
 C      0.7378467768      0.7131615632     -3.3980333527
 C      1.2305791472     -0.3775806208     -3.2409082759
 C      1.6721961008     -1.6294478033     -2.8831426093
 C      1.7330919757     -2.6777121377     -2.2387491463
 C      1.4631656127     -3.5499505690     -1.2412225946
 C      1.1618798913     -3.9167591055     -0.1352895746
 C      0.8538063953     -3.7158061116      1.1726109089
 C      0.3896287813     -3.1580068683      2.1569618223
18
# ORCA AIMD Position Step 1640, t=1640.00 fs, E_Pot=-685.23653678 Hartree, Unit is Angstrom
 C     -0.1541085226     -2.0739967570      2.8221940861
 C     -0.6816573646     -1.0277816187      3.1320232618
 C     -1.2457429088      0.2429636539      3.2448244022
 C     -1.4962865511      1.3696300072      2.8052083159
 C     -1.7373006077      2.4444295924      2.0408990482
 C     -1.7089923455      3.0615733410      0.9515918662
 C     -1.5344912237      3.3475900530     -0.3599512654
 C     -1.1445671459      3.3346846417     -1.5075040422
 C     -0.5393475752      2.7428993070     -2.5980083514
 C      0.1197701064      1.9173835543     -3.2097676915
 C      0.7380358863      0.7188568784     -3.4020179624
 C      1.2322016740     -0.3776028164     -3.2441565986
 C      1.6706628619     -1.6227504312     -2.8845762029
 C      1.7371576420     -2.6771571705     -2.2444110238
 C      1.4668655785     -3.5476197913     -1.2418910742
 C      1.1496581759     -3.9178975399     -0.1341651160
 C      0.8481053967     -3.7123115136      1.1625264459
 C      0.3803938058     -3.1625012307      2.1550586871
18
# ORCA AIMD Position Step 1641, t=1641.00 fs, E_Pot=-685.23709892 Hartree, Unit is Angstrom
 C     -0.1565163254     -2.0806622201      2.8267097809
 C     -0.6834771862     -1.0355196261      3.1292700183
 C     -1.2402709960      0.2398556506      3.2449884052
 C     -1.4953415375      1.3726076212      2.8136413665
 C     -1.7355067471      2.4423739119      2.0417428684
 C     -1.7094874492      3.0546263531      0.9570672795
 C     -1.5334474874      3.3510298594     -0.3606400232
 C     -1.1324052306      3.3348489869     -1.5114182656
 C     -0.5411414805      2.7451750263     -2.5924873823
 C      0.1264296483      1.9186079790     -3.2056827968
 C      0.7382101310      0.7249497188     -3.4060379603
 C      1.2342827448     -0.3782839151     -3.2475717607
 C      1.6687560540     -1.6167481254     -2.8852928170
 C      1.7408245256     -2.6754577916     -2.2508271133
 C      1.4709901641     -3.5450378886     -1.2431211661
 C      1.1377537976     -3.9190952540     -0.1326583842
 C      0.8416322046     -3.7086133382      1.1533625816
 C      0.3712210816     -3.1662816063      2.1527416578
18
# ORCA AIMD Position Step 1642, t=1642.00 fs, E_Pot=-685.23713790 Hartree, Unit is Angstrom
 C     -0.1585850583     -2.0885314422      2.8308039280
 C     -0.6860481261     -1.0416600232      3.1270630280
 C     -1.2342629024      0.2368930112      3.2441383674
 C     -1.4942396418      1.3738960660      2.8230456688
 C     -1.7336023968      2.4413910479      2.0404182688
 C     -1.7100988148      3.0469017467      0.9637035403
 C     -1.5323617518      3.3546279839     -0.3607382711
 C     -1.1201416834      3.3345402403     -1.5156289896
 C     -0.5425849240      2.7472301868     -2.5869562523
 C      0.1325334788      1.9200849788     -3.2010923731
 C      0.7386120275      0.7309162275     -3.4100251189
 C      1.2365857713     -0.3790730640     -3.2512435104
 C      1.6665408317     -1.6115887789     -2.8852834812
 C      1.7440497511     -2.6727406024     -2.2578043851
 C      1.4753970579     -3.5422623317     -1.2445747119
 C      1.1264442534     -3.9202171716     -0.1316496777
 C      0.8342186169     -3.7046033792      1.1456307774
 C      0.3622030175     -3.1694406568      2.1498927715
18
# ORCA AIMD Position Step 1643, t=1643.00 fs, E_Pot=-685.23657992 Hartree, Unit is Angstrom
 C     -0.1603454549     -2.0975615736      2.8344549003
 C     -0.6893629851     -1.0461487209      3.1254397691
 C     -1.2277767460      0.2341794957      3.2422544240
 C     -1.4929625781      1.3734788709      2.8333333052
 C     -1.7315755387      2.4410102639      2.0376279575
 C     -1.7107588846      3.0388581418      0.9705628533
 C     -1.5310940392      3.3582740702     -0.3604326371
 C     -1.1082008658      3.3339664228     -1.5192257827
 C     -0.5432918191      2.7486971942     -2.5819091571
 C      0.1378781928      1.9220816952     -3.1958963554
 C      0.7394666951      0.7362651059     -3.4139144469
 C      1.2388861971     -0.3794453435     -3.2552560915
 C      1.6640693806     -1.6072802481     -2.8846197127
 C      1.7468010003     -2.6692589653     -2.2650741904
 C      1.4799426418     -3.5393408041     -1.2459409212
 C      1.1159856748     -3.9211286103     -0.1319289555
 C      0.8257648450     -3.7002412206      1.1396665951
 C      0.3533928634     -3.1720484221      2.1464742736
18
# ORCA AIMD Position Step 1644, t=1644.00 fs, E_Pot=-685.23567041 Hartree, Unit is Angstrom
 C     -0.1619634683     -2.1074415243      2.8377401318
 C     -0.6932753316     -1.0492300188      3.1243645056
 C     -1.2208617968      0.2317483655      3.2393684469
 C     -1.4915399421      1.3715525283      2.8443109622
 C     -1.7293975677      2.4406022448      2.0342792917
 C     -1.7114022575      3.0310198995      0.9766130457
 C     -1.5295026049      3.3618631669     -0.3599294987
 C     -1.0969966837      3.3333466370     -1.5213184998
 C     -0.5429529299      2.7492944263     -2.5777753185
 C      0.1423560106      1.9247399979     -3.1900665055
 C      0.7409492453      0.7406093570     -3.4176492436
 C      1.2409978354     -0.3789595933     -3.2596787595
 C      1.6613784188     -1.6037184307     -2.8834315825
 C      1.7490580892     -2.6653505158     -2.2723276416
 C      1.4845004900     -3.5362990697     -1.2469839446
 C      1.1065816798     -3.9217067881     -0.1340891603
 C      0.8162548167     -3.6955674688      1.1355718130
 C      0.3448008101     -3.1741497084      2.1425343196
18
# ORCA AIMD Position Step 1645, t=1645.00 fs, E_Pot=-685.23493260 Hartree, Unit is Angstrom
 C     -0.1637105187     -2.1176478742      2.8408166690
 C     -0.6975305445     -1.0513829195      3.1237455694
 C     -1.2135557300      0.2295596887      3.2355597208
 C     -1.4900378357      1.3684721127      2.8557140630
 C     -1.7270310767      2.4394999754      2.0313236635
 C     -1.7119728626      3.0238988808      0.9808798851
 C     -1.5274657631      3.3653021306     -0.3594052326
 C     -1.0868794448      3.3328775263     -1.5211684776
 C     -0.5413816492      2.7488778858     -2.5748470592
 C      0.1459756614      1.9280430832     -3.1836634133
 C      0.7431627922      0.7437178596     -3.4211834728
 C      1.2427914208     -0.3773091334     -3.2645561781
 C      1.6584905264     -1.6007190156     -2.8818867066
 C      1.7508143370     -2.6613848766     -2.2792522382
 C      1.4889731850     -3.5331380886     -1.2475721103
 C      1.0983611897     -3.9218468511     -0.1384475313
 C      0.8057630610     -3.6907103119      1.1331800747
 C      0.3363938943     -3.1757597737      2.1382082091
18
# ORCA AIMD Position Step 1646, t=1646.00 fs, E_Pot=-685.23490124 Hartree, Unit is Angstrom
 C     -0.1659117850     -2.1275410286      2.8438871797
 C     -0.7018161717     -1.0532150308      3.1234626410
 C     -1.2058862765      0.2275079967      3.2309481537
 C     -1.4885447270      1.3646880279      2.8672416264
 C     -1.7244386195      2.4371354217      2.0295631313
 C     -1.7124294970      3.0178999192      0.9826225164
 C     -1.5249020837      3.3685146929     -0.3589657032
 C     -1.0780908941      3.3327002179     -1.5182999511
 C     -0.5385495802      2.7474804728     -2.5732192925
 C      0.1488685128      1.9318036848     -3.1768452412
 C      0.7461263956      0.7455431455     -3.4244826888
 C      1.2442072784     -0.3743556615     -3.2699010645
 C      1.6554162682     -1.5980562663     -2.8801667249
 C      1.7520741775     -2.6577143595     -2.2855632212
 C      1.4932997659     -3.5298345594     -1.2476896569
 C      1.0913698247     -3.9214668561     -0.1450175570
 C      0.7944527252     -3.6858797420      1.1320680784
 C      0.3281027125     -3.1768640090      2.1337101149
18
# ORCA AIMD Position Step 1647, t=1647.00 fs, E_Pot=-685.23572578 Hartree, Unit is Angstrom
 C     -0.1688853649     -2.1364784167      2.8471593197
 C     -0.7058187777     -1.0553402209      3.1233954350
 C     -1.1978759156      0.2254382402      3.2256831753
 C     -1.4871565126      1.3606827905      2.8785874875
 C     -1.7215908148      2.4331625631      2.0294668174
 C     -1.7127491302      3.0132321712      0.9814976255
 C     -1.5217864747      3.3714443151     -0.3586129270
 C     -1.0707328983      3.3328750477     -1.5125816561
 C     -0.5346066319      2.7453328500     -2.5727531415
 C      0.1512819730      1.9356719437     -3.1698672314
 C      0.7497703705      0.7462308276     -3.4275248008
 C      1.2452624668     -0.3701515197     -3.2756868509
 C      1.6521592668     -1.5955022930     -2.8784460115
 C      1.7528503167     -2.6546294261     -2.2910290424
 C      1.4974589612     -3.5263433237     -1.2474394121
 C      1.0855708482     -3.9205153175     -0.1535210395
 C      0.7825618070     -3.6813475348      1.1316115645
 C      0.3198336437     -3.1774216106      2.1293141760
18
# ORCA AIMD Position Step 1648, t=1648.00 fs, E_Pot=-685.23700123 Hartree, Unit is Angstrom
 C     -0.1728860964     -2.1439250665      2.8508062504
 C     -0.7092774776     -1.0582645560      3.1234494977
 C     -1.1895469312      0.2231716403      3.2199283808
 C     -1.4859613192      1.3569075678      2.8894696308
 C     -1.7184724093      2.4275288509      2.0310591624
 C     -1.7129259630      3.0098553841      0.9776565784
 C     -1.5181624810      3.3740575909     -0.3582215129
 C     -1.0647518694      3.3333731312     -1.5042632270
 C     -0.5298684275      2.7428487266     -2.5730814418
 C      0.1535563340      1.9391716919     -3.1630636489
 C      0.7539406829      0.7461108971     -3.4303022213
 C      1.2460516222     -0.3649462378     -3.2818468066
 C      1.6487210560     -1.5928629125     -2.8768728144
 C      1.7531612307     -2.6523225371     -2.2954921340
 C      1.5014703591     -3.5225999629     -1.2470348115
 C      1.0808521114     -3.9189798303     -0.1634378512
 C      0.7703710659     -3.6774095380      1.1310812800
 C      0.3114848335     -3.1773775439      2.1253177642
18
# ORCA AIMD Position Step 1649, t=1649.00 fs, E_Pot=-685.23803324 Hartree, Unit is Angstrom
 C     -0.1780647695     -2.1495450801      2.8549363830
 C     -0.7120260122     -1.0622992833      3.1235743633
 C     -1.1809249665      0.2205402935      3.2138416226
 C     -1.4850242512      1.3537211146      2.8996585764
 C     -1.7150852318      2.4204685988      2.0339296470
 C     -1.7129684736      3.0074883618      0.9717225364
 C     -1.5141445608      3.3763469654     -0.3575312079
 C     -1.0599448977      3.3340888268     -1.4939476453
 C     -0.5247621471      2.7405621244     -2.5736704507
 C      0.1560769242      1.9417727458     -3.1568034241
 C      0.7584172988      0.7456629072     -3.4328245342
 C      1.2467390933     -0.3591654812     -3.2882819688
 C      1.6451054672     -1.5900080464     -2.8755528156
 C      1.7530285435     -2.6508611027     -2.2988857868
 C      1.5053917459     -3.5185255121     -1.2467750987
 C      1.0770387175     -3.9168913165     -0.1740887933
 C      0.7581542813     -3.6743344938      1.1297671385
 C      0.3029665343     -3.1766847867      2.1219843187
18
# ORCA AIMD Position Step 1650, t=1650.00 fs, E_Pot=-685.23836697 Hartree, Unit is Angstrom
 C     -0.1844460765     -2.1532586112      2.8595748559
 C     -0.7140171762     -1.0675093458      3.1237746534
 C     -1.1720439597      0.2174256806      3.2075553183
 C     -1.4843748636      1.3513418118      2.9089976503
 C     -1.7114474401      2.4124247910      2.0373588778
 C     -1.7128950617      3.0056792661      0.9646499950
 C     -1.5099077326      3.3783299895     -0.3561672516
 C     -1.0559913151      3.3348685692     -1.4824994286
 C     -0.5197366824      2.7390219156     -2.5739289803
 C      0.1592021325      1.9429938767     -3.1514241865
 C      0.7629462615      0.7454485537     -3.4351191052
 C      1.2475380896     -0.3533554470     -3.2948753509
 C      1.6413207268     -1.5868905552     -2.8745400804
 C      1.7524749413     -2.6501783442     -2.3012404862
 C      1.5093082022     -3.5140383862     -1.2469995841
 C      1.0739162491     -3.9143181858     -0.1847382703
 C      0.7461243529     -3.6723118407      1.1271037621
 C      0.2942251931     -3.1753325528      2.1194772624
18
# ORCA AIMD Position Step 1651, t=1651.00 fs, E_Pot=-685.23807266 Hartree, Unit is Angstrom
 C     -0.1919233775     -2.1552611255      2.8646571164
 C     -0.7153293873     -1.0736967011      3.1241135691
 C     -1.1629535911      0.2137915086      3.2011652600
 C     -1.4839997289      1.3498240565      2.9174041370
 C     -1.7075904919      2.4039338226      2.0405029122
 C     -1.7127288392      3.0039074448      0.9575308680
 C     -1.5056633754      3.3800452279     -0.3536950309
 C     -1.0525072740      3.3355456134     -1.4709069006
 C     -0.5151565042      2.7386689307     -2.5733342125
 C      0.1631784962      1.9425162633     -3.1471604941
 C      0.7672829945      0.7460177286     -3.4372272717
 C      1.2486758334     -0.3480972398     -3.3015094422
 C      1.6373823679     -1.5835492182     -2.8738385719
 C      1.7515229876     -2.6500841037     -2.3026766032
 C      1.5133107664     -3.5090743775     -1.2480237496
 C      1.0712627512     -3.9113506761     -0.1946983673
 C      0.7343946616     -3.6714137248      1.1227643236
 C      0.2852646693     -3.1733718961      2.1178064724
18
# ORCA AIMD Position Step 1652, t=1652.00 fs, E_Pot=-685.23758503 Hartree, Unit is Angstrom
 C     -0.2002689290     -2.1560070113      2.8700344960
 C     -0.7161549972     -1.0804181965      3.1247081414
 C     -1.1537264521      0.2097017054      3.1947294015
 C     -1.4838436433      1.3490656050      2.9248565871
 C     -1.7035543957      2.3955143646      2.0425695003
 C     -1.7124942016      3.0016810545      0.9514105278
 C     -1.5016206370      3.3815430554     -0.3497076970
 C     -1.0491118874      3.3359702210     -1.4601238582
 C     -0.5112146025      2.7397326691     -2.5715363011
 C      0.1680664693      1.9402788658     -3.1440855102
 C      0.7712406205      0.7477981649     -3.4391970383
 C      1.2503511428     -0.3439033552     -3.3080830303
 C      1.6333145189     -1.5800958056     -2.8734122617
 C      1.7501952330     -2.6502949792     -2.3033881720
 C      1.5174691091     -3.5036111087     -1.2500691330
 C      1.0688841360     -3.9080783876     -0.2034198524
 C      0.7229666728     -3.6715814132      1.1167019404
 C      0.2761564970     -3.1709282156      2.1168072027
18
# ORCA AIMD Position Step 1653, t=1653.00 fs, E_Pot=-685.23731330 Hartree, Unit is Angstrom
 C     -0.2091585571     -2.1561575373      2.8754911708
 C     -0.7167731682     -1.0870399829      3.1257163934
 C     -1.1444625781      0.2053210311      3.1882755701
 C     -1.4838166766      1.3488433807      2.9313704660
 C     -1.6993819492      2.3875829409      2.0429497557
 C     -1.7122138375      2.9986086444      0.9471514258
 C     -1.4979427183      3.3828754267     -0.3439314810
 C     -1.0454941294      3.3360317123     -1.4509135925
 C     -0.5078912125      2.7421808919     -2.5684134226
 C      0.1737068183      1.9365231345     -3.1420870192
 C      0.7747324086      0.7509948684     -3.4410759386
 C      1.2526924874     -0.3411204659     -3.3145234192
 C      1.6291483517     -1.5766866282     -2.8732034833
 C      1.7485176466     -2.6504764362     -2.3036171341
 C      1.5218045155     -3.4976914640     -1.2532042844
 C      1.0666462905     -3.9045673343     -0.2105559646
 C      0.7117442271     -3.6726386814      1.1091316261
 C      0.2670336528     -3.1681959629      2.1161600648
18
# ORCA AIMD Position Step 1654, t=1654.00 fs, E_Pot=-685.23739690 Hartree, Unit is Angstrom
 C     -0.2182142256     -2.1564895810      2.8807726280
 C     -0.7175041355     -1.0928338667      3.1273148627
 C     -1.1352880883      0.2008984403      3.1818137519
 C     -1.4838084096      1.3488689141      2.9369705599
 C     -1.6951134805      2.3804000926      2.0412996955
 C     -1.7119056263      2.9944414274      0.9453482193
 C     -1.4947060597      3.3840867944     -0.3363221119
 C     -1.0414673992      3.3356678098     -1.4437226347
 C     -0.5049717528      2.7457384614     -2.5640653038
 C      0.1797414962      1.9317679407     -3.1408893311
 C      0.7777960123      0.7555298653     -3.4429056884
 C      1.2557316120     -0.3398662435     -3.3207919399
 C      1.6249217877     -1.5734861416     -2.8731535661
 C      1.7465209957     -2.6502902393     -2.3036249446
 C      1.5262718671     -3.4914356158     -1.2573136331
 C      1.0644931396     -3.9008439438     -0.2159902582
 C      0.7005685886     -3.6743267935      1.1004646476
 C      0.2580675554     -3.1654149556      2.1154452485
18
# ORCA AIMD Position Step 1655, t=1655.00 fs, E_Pot=-685.23771694 Hartree, Unit is Angstrom
 C     -0.2270654655     -2.1577648035      2.8856239440
 C     -0.7186462198     -1.0971162113      3.1296680931
 C     -1.1263475288      0.1967378267      3.1753488734
 C     -1.4837038831      1.3488504825      2.9416674552
 C     -1.6907819034      2.3740394182      2.0375816403
 C     -1.7115811905      2.9890955258      0.9462780750
 C     -1.4918774934      3.3852066291     -0.3271114994
 C     -1.0369984163      3.3348681606     -1.4386143495
 C     -0.5021121895      2.7499625759     -2.5587594354
 C      0.1856851868      1.9267201675     -3.1401117069
 C      0.7805904032      0.7610454773     -3.4447208812
 C      1.2593990102     -0.3400186974     -3.3268825475
 C      1.6206746400     -1.5706285749     -2.8732234283
 C      1.7442439299     -2.6494414816     -2.3036616522
 C      1.5307592046     -3.4850355393     -1.2621065963
 C      1.0624475863     -3.8968910685     -0.2198239158
 C      0.6892594409     -3.6763504989      1.0912156304
 C      0.2494362516     -3.1628372487      2.1142152554
18
# ORCA AIMD Position Step 1656, t=1656.00 fs, E_Pot=-685.23807456 Hartree, Unit is Angstrom
 C     -0.2354228095     -2.1605760828      2.8898333625
 C     -0.7204039847     -1.0994077803      3.1328941751
 C     -1.1177917566      0.1931627160      3.1688919724
 C     -1.4833996087      1.3485481905      2.9454430147
 C     -1.6864093081      2.3683746031      2.0320776199
 C     -1.7112452236      2.9826624422      0.9498724480
 C     -1.4893186086      3.3862441338     -0.3167799865
 C     -1.0322004342      3.3336695099     -1.4352846414
 C     -0.4989237867      2.7543457987     -2.5528529421
 C      0.1910200420      1.9221475278     -3.1393437617
 C      0.7833639607      0.7669761544     -3.4465499150
 C      1.2635444345     -0.3412593066     -3.3328150551
 C      1.6164419444     -1.5681883756     -2.8734081463
 C      1.7417321424     -2.6477181114     -2.3039373108
 C      1.5351055328     -3.4787303984     -1.2671678089
 C      1.0605959275     -3.8926555830     -0.2223262818
 C      0.6776517716     -3.6784257594      1.0819060259
 C      0.2412931527     -3.1606916823      2.1120662893
18
# ORCA AIMD Position Step 1657, t=1657.00 fs, E_Pot=-685.23827123 Hartree, Unit is Angstrom
 C     -0.2431373555     -2.1652144739      2.8932711872
 C     -0.7228329711     -1.0995711248      3.1370341819
 C     -1.1097631734      0.1904805297      3.1624654642
 C     -1.4828166359      1.3478116241      2.9482467929
 C     -1.6820044176      2.3630883158      2.0253747457
 C     -1.7108943297      2.9754093882      0.9557181610
 C     -1.4868199080      3.3871873973     -0.3059689420
 C     -1.0272980235      3.3321426412     -1.4331514792
 C     -0.4950491644      2.7584135840     -2.5467134026
 C      0.1952900409      1.9187468032     -3.1382203705
 C      0.7864018810      0.7726667939     -3.4484138642
 C      1.2679708103     -0.3431512233     -3.3386242969
 C      1.6122530257     -1.5661639157     -2.8737435657
 C      1.7390358531     -2.6450162112     -2.3045979290
 C      1.5391276203     -3.4727704176     -1.2720307353
 C      1.0590595984     -3.8880647791     -0.2238625957
 C      0.6656248015     -3.6803166149      1.0729817693
 C      0.2337415644     -3.1591571713      2.1086937781
18
# ORCA AIMD Position Step 1658, t=1658.00 fs, E_Pot=-685.23818612 Hartree, Unit is Angstrom
 C     -0.2502272060     -2.1716049852      2.8959078204
 C     -0.7258183226     -1.0978696983      3.1420400800
 C     -1.1023822195      0.1889484080      3.1561076653
 C     -1.4819068029      1.3465939411      2.9500046721
 C     -1.6775645749      2.3577071769      2.0183094190
 C     -1.7105196650      2.9677602221      0.9630959071
 C     -1.4841439750      3.3880055803     -0.2953634266
 C     -1.0225728824      3.3303796472     -1.4314863284
 C     -0.4902186503      2.7617960922     -2.5406560382
 C      0.1981736296      1.9170329188     -3.1364760898
 C      0.7899679072      0.7775031835     -3.4503239630
 C      1.2724698306     -0.3452209836     -3.3443512000
 C      1.6081303504     -1.5644824121     -2.8743042418
 C      1.7362072354     -2.6413471432     -2.3057109423
 C      1.5426485699     -3.4673807727     -1.2762545323
 C      1.0579661272     -3.8830438453     -0.2248190498
 C      0.6531166422     -3.6818607746      1.0647569938
 C      0.2268221029     -3.1583443400      2.1039253511
18
# ORCA AIMD Position Step 1659, t=1659.00 fs, E_Pot=-685.23789104 Hartree, Unit is Angstrom
 C     -0.2568582846     -2.1793371155      2.8978078598
 C     -0.7290994137     -1.0949240977      3.1477830898
 C     -1.0957359272      0.1887424370      3.1498740091
 C     -1.4806540369      1.3449442755      2.9506360969
 C     -1.6730790765      2.3516721679      2.0118579729
 C     -1.7101118969      2.9602471771      0.9710802910
 C     -1.4810663437      3.3886548077     -0.2855892641
 C     -1.0183102657      3.3284779435     -1.4295492309
 C     -0.4842789827      2.7642687046     -2.5348997690
 C      0.1995253965      1.9172670672     -3.1339782556
 C      0.7942555494      0.7810217119     -3.4522758479
 C      1.2768502890     -0.3470234104     -3.3500367350
 C      1.6040919761     -1.5630215616     -2.8751916576
 C      1.7332947193     -2.6368269755     -2.3072639681
 C      1.5455222891     -3.4627317134     -1.2794848920
 C      1.0574240996     -3.8775312537     -0.2255421738
 C      0.6401304363     -3.6829811149      1.0573870135
 C      0.2205091123     -3.1582867678      2.0977326744
18
# ORCA AIMD Position Step 1660, t=1660.00 fs, E_Pot=-685.23771342 Hartree, Unit is Angstrom
 C     -0.2632897800     -2.1877740596      2.8991016549
 C     -0.7323295867     -1.0915799199      3.1540790957
 C     -1.0898687420      0.1899260004      3.1438382123
 C     -1.4790710578      1.3429845300      2.9500763464
 C     -1.6685367126      2.3444440597      2.0069759810
 C     -1.7096645202      2.9534296954      0.9786963233
 C     -1.4774068419      3.3890851620     -0.2771422795
 C     -1.0147513877      3.3265267631     -1.4267046538
 C     -0.4772073177      2.7657685772     -2.5295400338
 C      0.1993913763      1.9194275228     -3.1307377652
 C      0.7993554947      0.7829775840     -3.4542463758
 C      1.2809557861     -0.3481850387     -3.3557183972
 C      1.6001549443     -1.5616397284     -2.8765191935
 C      1.7303416829     -2.6316518497     -2.3091742863
 C      1.5476486215     -3.4589226872     -1.2814934797
 C      1.0575053438     -3.8714905028     -0.2262953036
 C      0.6267322285     -3.6836848270      1.0508659127
 C      0.2147144074     -3.1589400485      2.0902307399
18
# ORCA AIMD Position Step 1661, t=1661.00 fs, E_Pot=-685.23806100 Hartree, Unit is Angstrom
 C     -0.2698060385     -2.1961952293      2.8999473534
 C     -0.7351482493     -1.0887340674      3.1607184296
 C     -1.0847755546      0.1924198687      3.1380938076
 C     -1.4771939213      1.3408776446      2.9482986140
 C     -1.6639373524      2.3356334413      2.0044047076
 C     -1.7091738119      2.9477885447      0.9851138433
 C     -1.4730499019      3.3892484540     -0.2703478391
 C     -1.0120591340      3.3245951485     -1.4225107372
 C     -0.4691154130      2.7663983788     -2.5245321515
 C      0.1980016276      1.9232167881     -3.1269072074
 C      0.8052422856      0.7833718623     -3.4561934936
 C      1.2846756243     -0.3484351079     -3.3614257748
 C      1.5963396536     -1.5602056493     -2.8783954679
 C      1.7273843190     -2.6260672036     -2.3113063053
 C      1.5489819336     -3.4559748995     -1.2821987536
 C      1.0582334727     -3.8649203421     -0.2272329380
 C      0.6130461174     -3.6840534554      1.0450423432
 C      0.2092956622     -3.1601849120      2.0816686477
18
# ORCA AIMD Position Step 1662, t=1662.00 fs, E_Pot=-685.23902560 Hartree, Unit is Angstrom
 C     -0.2766556255     -2.2039282479      2.9004930705
 C     -0.7372433823     -1.0871736866      3.1674918712
 C     -1.0804012631      0.1959877344      3.1327538636
 C     -1.4750733961      1.3387887753      2.9453358650
 C     -1.6593056727      2.3251261392      2.0044852502
 C     -1.7086364522      2.9436184981      0.9898353748
 C     -1.4679561680      3.3891064109     -0.2653440027
 C     -1.0102957271      3.3227245456     -1.4167751107
 C     -0.4602459017      2.7664165900     -2.5196899435
 C      0.1957428096      1.9281047146     -3.1227652673
 C      0.8117794889      0.7824374209     -3.4580615619
 C      1.2879524917     -0.3476300985     -3.3671759101
 C      1.5926724039     -1.5586186040     -2.8809110232
 C      1.7244511879     -2.6203348157     -2.3134942593
 C      1.5495345820     -3.4538339653     -1.2816711028
 C      1.0595784891     -3.8578623498     -0.2283913832
 C      0.5992443105     -3.6842263044      1.0396521619
 C      0.2040685989     -3.1618352618      2.0724133336
18
# ORCA AIMD Position Step 1663, t=1663.00 fs, E_Pot=-685.24011656 Hartree, Unit is Angstrom
 C     -0.2840101540     -2.2104502916      2.9008471375
 C     -0.7383997663     -1.0874410842      3.1742130979
 C     -1.0766366199      0.2002148911      3.1279515852
 C     -1.4727683603      1.3368538885      2.9412979896
 C     -1.6547024649      2.3131734509      2.0070297027
 C     -1.7080405133      2.9409530131      0.9928107369
 C     -1.4621748947      3.3886329536     -0.2620477222
 C     -1.0094059517      3.3209253485     -1.4095925744
 C     -0.4509492417      2.7662085465     -2.5147054945
 C      0.1931128626      1.9333981600     -3.1186846700
 C      0.8187323963      0.7806145012     -3.4597911821
 C      1.2907907449     -0.3457779991     -3.3729701143
 C      1.5891841416     -1.5568267551     -2.8841251474
 C      1.7215619025     -2.6147026315     -2.3155617226
 C      1.5493812510     -3.4523693902     -1.2801383786
 C      1.0614529116     -3.8504050049     -0.2296826781
 C      0.5855301659     -3.6843806392      1.0343570643
 C      0.1988220581     -3.1636531525      2.0629193537
18
# ORCA AIMD Position Step 1664, t=1664.00 fs, E_Pot=-685.24052880 Hartree, Unit is Angstrom
 C     -0.2919445654     -2.2154596168      2.9010576269
 C     -0.7385213870     -1.0897650571      3.1807371313
 C     -1.0733294395      0.2045479469      3.1238313174
 C     -1.4703312289      1.3351375152      2.9363803272
 C     -1.6502251882      2.3003758405      2.0113574150
 C     -1.7073636538      2.9395744266      0.9944033204
 C     -1.4558398230      3.3878160056     -0.2601555180
 C     -1.0092199048      3.3191765149     -1.4013330584
 C     -0.4416320765      2.7662282768     -2.5091946924
 C      0.1906518735      1.9383428772     -3.1150776090
 C      0.8257997524      0.7784945300     -3.4613304288
 C      1.2932558539     -0.3430366770     -3.3787961723
 C      1.5859077855     -1.5548241025     -2.8880657142
 C      1.7187276483     -2.6093837230     -2.3173413210
 C      1.5486498614     -3.4513887934     -1.2779598599
 C      1.0637172341     -3.8426752299     -0.2309073506
 C      0.5721112403     -3.6847042238      1.0287933723
 C      0.1933347751     -3.1653741831      2.0536774743
18
# ORCA AIMD Position Step 1665, t=1665.00 fs, E_Pot=-685.23974962 Hartree, Unit is Angstrom
 C     -0.3004364347     -2.2189019965      2.9011028643
 C     -0.7376338628     -1.0940502443      3.1869736936
 C     -1.0703002475      0.2083523793      3.1205387745
 C     -1.4677973741      1.3336029314      2.9308599313
 C     -1.6459981193      2.2875895306      2.0164385517
 C     -1.7065739226      2.9390892910      0.9952515062
 C     -1.4491597514      3.3866560505     -0.2591553243
 C     -1.0094701388      3.3174350330     -1.3925928760
 C     -0.4326803298      2.7669064368     -2.5027767931
 C      0.1888554608      1.9422536792     -3.1123210990
 C      0.8326529234      0.7767436833     -3.4626442679
 C      1.2954658432     -0.3396946917     -3.3846319859
 C      1.5828760406     -1.5526504833     -2.8927300753
 C      1.7159512031     -2.6045275103     -2.3186962290
 C      1.5475077170     -3.4506601430     -1.2755888333
 C      1.0661958014     -3.8348276473     -0.2317892458
 C      0.5591625209     -3.6853607904      1.0226450645
 C      0.1873982861     -3.1667430823      2.0451451947
18
# ORCA AIMD Position Step 1666, t=1666.00 fs, E_Pot=-685.23801600 Hartree, Unit is Angstrom
 C     -0.3093766020     -2.2209654835      2.9008932317
 C     -0.7358691190     -1.0999148092      3.1928946001
 C     -1.0673677892      0.2109980598      3.1182080693
 C     -1.4651744948      1.3321000560      2.9250740553
 C     -1.6421567340      2.2757743403      2.0211142467
 C     -1.7056342240      2.9390422835      0.9960733282
 C     -1.4423956192      3.3851647539     -0.2583768805
 C     -1.0098290038      3.3156456208     -1.3841081595
 C     -0.4243735647      2.7685472223     -2.4951644676
 C      0.1880857144      1.9446398283     -3.1106801973
 C      0.8389800087      0.7760140349     -3.4637172162
 C      1.2975716146     -0.3361205464     -3.3904525453
 C      1.5801176396     -1.5503858490     -2.8980865896
 C      1.7132247966     -2.6002052166     -2.3195374884
 C      1.5461405780     -3.4499395018     -1.2735129162
 C      1.0687030899     -3.8270252275     -0.2320282115
 C      0.5467969742     -3.6864571880      1.0157120280
 C      0.1808398427     -3.1675552351      2.0376756660
18
# ORCA AIMD Position Step 1667, t=1667.00 fs, E_Pot=-685.23619364 Hartree, Unit is Angstrom
 C     -0.3185876518     -2.2220411013      2.9002823772
 C     -0.7334401251     -1.1067632527      3.1985339272
 C     -1.0643746211      0.2119434485      3.1169506004
 C     -1.4624388108      1.3303746319      2.9193874444
 C     -1.6388299637      2.2658364276      2.0243093535
 C     -1.7045079099      2.9390279922      0.9974899180
 C     -1.4358252728      3.3833588337     -0.2570831648
 C     -1.0099624751      3.3137608823     -1.3766287265
 C     -0.4168144087      2.7712363093     -2.4862554629
 C      0.1885075221      1.9452963285     -3.1102427816
 C      0.8445257401      0.7768547459     -3.4645513675
 C      1.2997210283     -0.3326731897     -3.3962409027
 C      1.5776607923     -1.5481562436     -2.9040733962
 C      1.7105324201     -2.5964113127     -2.3198308127
 C      1.5447240753     -3.4490007564     -1.2721840572
 C      1.0710776859     -3.8194200444     -0.2313755972
 C      0.5350436138     -3.6880163383      1.0079763020
 C      0.1735437161     -3.1676929513      2.0314599504
18
# ORCA AIMD Position Step 1668, t=1668.00 fs, E_Pot=-685.23526722 Hartree, Unit is Angstrom
 C     -0.3278464386     -2.2226660454      2.8990863726
 C     -0.7306088844     -1.1138695130      3.2039779957
 C     -1.0612091204      0.2107987490      3.1168454038
 C     -1.4595388352      1.3281149462      2.9141396893
 C     -1.6361242999      2.2584875825      2.0252132184
 C     -1.7031623613      2.9387681677      0.9999062282
 C     -1.4297026426      3.3812580790     -0.2545979240
 C     -1.0095895384      3.3117531566     -1.3707817889
 C     -0.4099073885      2.7748059799     -2.4761766825
 C      0.1900667718      1.9443369691     -3.1108939008
 C      0.8491256939      0.7796248216     -3.4651619080
 C      1.3020283921     -0.3296274837     -3.4019889980
 C      1.5755362433     -1.5461172084     -2.9106056652
 C      1.7078508982     -2.5930709053     -2.3195981037
 C      1.5433919516     -3.4476690472     -1.2719480248
 C      1.0732131174     -3.8121348144     -0.2296963473
 C      0.5238487456     -3.6899690970      0.9996250670
 C      0.1654641237     -3.1671423367      2.0265044787
18
# ORCA AIMD Position Step 1669, t=1669.00 fs, E_Pot=-685.23573401 Hartree, Unit is Angstrom
 C     -0.3369107036     -2.2234375888      2.8971123567
 C     -0.7276486556     -1.1204827994      3.2093446167
 C     -1.0578219514      0.2073716059      3.1179323475
 C     -1.4564106171      1.3250193107      2.9095873451
 C     -1.6341043369      2.2541252080      2.0234176705
 C     -1.7015771007      2.9381596125      1.0034458816
 C     -1.4242150156      3.3788830537     -0.2504460491
 C     -1.0085386732      3.3096320432     -1.3669363493
 C     -0.4033907727      2.7788613188     -2.4652848270
 C      0.1925201726      1.9421612659     -3.1123368915
 C      0.8527284140      0.7844252290     -3.4655737075
 C      1.3045431733     -0.3271101318     -3.4076962607
 C      1.5737718298     -1.5444310907     -2.9175813299
 C      1.7051614473     -2.5900660410     -2.3189087704
 C      1.5422178025     -3.4458419705     -1.2729859070
 C      1.0750774024     -3.8052531562     -0.2270221293
 C      0.5130958170     -3.6921640446      0.9910389285
 C      0.1566300561     -3.1659921582      2.0226452216
18
# ORCA AIMD Position Step 1670, t=1670.00 fs, E_Pot=-685.23731184 Hartree, Unit is Angstrom
 C     -0.3455560277     -2.2249034995      2.8941970818
 C     -0.7248022983     -1.1259504116      3.2147553025
 C     -1.0542297071      0.2016882752      3.1202042005
 C     -1.4529946845      1.3208693404      2.9058540433
 C     -1.6327815641      2.2527468253      2.0190051170
 C     -1.6997503401      2.9372931112      1.0079278989
 C     -1.4194441843      3.3762560669     -0.2444737045
 C     -1.0067890299      3.3074514134     -1.3651000543
 C     -0.3969031546      2.7828617426     -2.4541110695
 C      0.1954985045      1.9393661731     -3.1141555278
 C      0.8554037245      0.7910707230     -3.4658193084
 C      1.3072374317     -0.3250739525     -3.4133651418
 C      1.5723916937     -1.5432435126     -2.9248882612
 C      1.7024536040     -2.5872569532     -2.3178712799
 C      1.5412037303     -3.4435016101     -1.2752834209
 C      1.0767190066     -3.7988139679     -0.2235679554
 C      0.5026347273     -3.6943952665      0.9827331875
 C      0.1471375239     -3.1644150563      2.0195926054
18
# ORCA AIMD Position Step 1671, t=1671.00 fs, E_Pot=-685.23911026 Hartree, Unit is Angstrom
 C     -0.3536222823     -2.2274478765      2.8902482357
 C     -0.7222381685     -1.1298471426      3.2203070018
 C     -1.0505093485      0.1939870901      3.1236052048
 C     -1.4492472141      1.3155773811      2.9029043709
 C     -1.6321086328      2.2539205160      2.0125678243
 C     -1.6977007949      2.9364493551      1.0128856563
 C     -1.4153512716      3.3734039063     -0.2368945209
 C     -1.0044739072      3.3053032186     -1.3648984420
 C     -0.3900617751      2.7862343740     -2.4432611529
 C      0.1985896229      1.9366266380     -3.1158967848
 C      0.8573315942      0.7991196717     -3.4659400009
 C      1.3100162347     -0.3233184581     -3.4189966955
 C      1.5714118136     -1.5426540626     -2.9324224972
 C      1.6997249034     -2.5845014453     -2.3166181834
 C      1.5402840095     -3.4407079704     -1.2786413960
 C      1.0782540909     -3.7928096941     -0.2196980351
 C      0.4923099295     -3.6964444387      0.9752564312
 C      0.1371249957     -3.1626352197      2.0169928838
18
# ORCA AIMD Position Step 1672, t=1672.00 fs, E_Pot=-685.24020495 Hartree, Unit is Angstrom
 C     -0.3610520481     -2.2312030958      2.8852741170
 C     -0.7200190861     -1.1320746717      3.2260491601
 C     -1.0467844228      0.1846845172      3.1280384374
 C     -1.4451466389      1.3091866396      2.9005616929
 C     -1.6319810379      2.2568414969      2.0051230110
 C     -1.6954689959      2.9360650571      1.0176403530
 C     -1.4117870369      3.3703609290     -0.2282412998
 C     -1.0018449630      3.3033017313     -1.3656599177
 C     -0.3825332948      2.7884849262     -2.4332997184
 C      0.2014196806      1.9345734225     -3.1171551432
 C      0.8587716098      0.8079588493     -3.4659836484
 C      1.3127413974     -0.3215440875     -3.4245905489
 C      1.5708316842     -1.5426934236     -2.9401069565
 C      1.6969827204     -2.5816725603     -2.3152914550
 C      1.5393455951     -3.4375804154     -1.2827212868
 C      1.0798353235     -3.7871921162     -0.2158514664
 C      0.4819868374     -3.6981208942      0.9690794536
 C      0.1267405244     -3.1608929603      2.0144923166
18
# ORCA AIMD Position Step 1673, t=1673.00 fs, E_Pot=-685.24023745 Hartree, Unit is Angstrom
 C     -0.3678981735     -2.2360271305      2.8793947776
 C     -0.7180950887     -1.1328905267      3.2319698420
 C     -1.0432058690      0.1743177024      3.1333832036
 C     -1.4406897359      1.3018410793      2.8985551502
 C     -1.6322610496      2.2604742171      1.9979424167
 C     -1.6931130438      2.9366610424      1.0214181057
 C     -1.4085350082      3.3671758374     -0.2192428632
 C     -0.9991956347      3.3015554721     -1.3665871797
 C     -0.3740942488      2.7892816578     -2.4246478661
 C      0.2037109187      1.9337041153     -3.1176325374
 C      0.8600158245      0.8169153392     -3.4660040700
 C      1.3152685988     -0.3194430558     -3.4301365806
 C      1.5706342696     -1.5433084683     -2.9479075236
 C      1.6942402938     -2.5786689998     -2.3140248845
 C      1.5382557482     -3.4342640360     -1.2871257448
 C      1.0816038259     -3.7818871334     -0.2124386330
 C      0.4715860855     -3.6992966691      0.9645000949
 C      0.1161104232     -3.1594055589      2.0117931722
18
# ORCA AIMD Position Step 1674, t=1674.00 fs, E_Pot=-685.23961673 Hartree, Unit is Angstrom
 C     -0.3743058402     -2.2415387194      2.8728297911
 C     -0.7163249891     -1.1328547350      3.2380036547
 C     -1.0399350275      0.1634913460      3.1395062596
 C     -1.4358885948      1.2937301862      2.8965946630
 C     -1.6328032410      2.2637675027      1.9922768778
 C     -1.6907035263      2.9387185146      1.0235495421
 C     -1.4053525950      3.3639132256     -0.2107018044
 C     -0.9967961195      3.3001496374     -1.3669208051
 C     -0.3646644903      2.7884959685     -2.4175217953
 C      0.2053195879      1.9343177359     -3.1171770473
 C      0.8613424950      0.8253592146     -3.4660553135
 C      1.3174673908     -0.3167445321     -3.4356178828
 C      1.5707921475     -1.5443885696     -2.9558225900
 C      1.6915153083     -2.5754122510     -2.3129431354
 C      1.5368834099     -3.4309067538     -1.2914545272
 C      1.0836610521     -3.7768132262     -0.2097817201
 C      0.4610992635     -3.6999198730      0.9616034651
 C      0.1053273871     -3.1583533076      2.0086877311
18
# ORCA AIMD Position Step 1675, t=1675.00 fs, E_Pot=-685.23911401 Hartree, Unit is Angstrom
 C     -0.3804737872     -2.2472079302      2.8658715992
 C     -0.7145124765     -1.1327231291      3.2440440477
 C     -1.0371312595      0.1528253158      3.1462763683
 C     -1.4307661766      1.2850505708      2.8944169425
 C     -1.6334794595      2.2658613462      1.9891048020
 C     -1.6883164994      2.9425400901      1.0236778779
 C     -1.4020100186      3.3606617545     -0.2033932506
 C     -0.9948309551      3.2991260282     -1.3660897643
 C     -0.3543298688      2.7862178150     -2.4118988105
 C      0.2062476528      1.9364910875     -3.1157926268
 C      0.8629803917      0.8327751146     -3.4661878514
 C      1.3192399715     -0.3132675723     -3.4410051472
 C      1.5712666620     -1.5457723082     -2.9638794101
 C      1.6888305645     -2.5718444857     -2.3121579376
 C      1.5351226201     -3.4276405390     -1.2953578186
 C      1.0860372482     -3.7718982277     -0.2080573960
 C      0.4506028150     -3.7000163371      0.9602516073
 C      0.0944476052     -3.1578654122      2.0050708665
18
# ORCA AIMD Position Step 1676, t=1676.00 fs, E_Pot=-685.23919425 Hartree, Unit is Angstrom
 C     -0.3866116137     -2.2524615219      2.8588499602
 C     -0.7124507012     -1.1333065881      3.2499648846
 C     -1.0349383293      0.1429014027      3.1535732829
 C     -1.4253539212      1.2759808337      2.8918211961
 C     -1.6341984804      2.2662585256      1.9889166083
 C     -1.6860251090      2.9481304090      1.0219270255
 C     -1.3983203320      3.3575313943     -0.1979892504
 C     -0.9933646282      3.2984777077     -1.3637916710
 C     -0.3433458026      2.7827482750     -2.4075208345
 C      0.2066444739      1.9400698183     -3.1136382042
 C      0.8650810913      0.8388103443     -3.4664443890
 C      1.3205317857     -0.3089397692     -3.4462562330
 C      1.5720191594     -1.5472808926     -2.9721155703
 C      1.6862072193     -2.5679190835     -2.3117712156
 C      1.5328988545     -3.4245698505     -1.2985667892
 C      1.0886890956     -3.7670912642     -0.2072907910
 C      0.4402553321     -3.6996811909      0.9601157274
 C      0.0834950963     -3.1580179458      2.0009397496
18
# ORCA AIMD Position Step 1677, t=1677.00 fs, E_Pot=-685.23969967 Hartree, Unit is Angstrom
 C     -0.3928959064     -2.2568018976      2.8520854027
 C     -0.7099733562     -1.1352986540      3.2556467479
 C     -1.0334580245      0.1341705089      3.1613028702
 C     -1.4196985801      1.2666925840      2.8886745651
 C     -1.6349096120      2.2648959035      1.9916326725
 C     -1.6838912513      2.9551589986      1.0189218976
 C     -1.3941723057      3.3546416058     -0.1949499831
 C     -0.9923286196      3.2981528791     -1.3600421331
 C     -0.3321222171      2.7785816603     -2.4039200272
 C      0.2068103187      1.9446557976     -3.1110324326
 C      0.8676922796      0.8433240844     -3.4668488486
 C      1.3213396644     -0.3038258076     -3.4513171357
 C      1.5730083868     -1.5487227341     -2.9805698066
 C      1.6836627039     -2.5636212044     -2.3118490339
 C      1.5301833806     -3.4217471221     -1.3009351966
 C      1.0914978535     -3.7623673460     -0.2073585304
 C      0.4302923157     -3.6990719823      0.9607075441
 C      0.0724608076     -3.1588226859      1.9963947652
18
# ORCA AIMD Position Step 1678, t=1678.00 fs, E_Pot=-685.24010195 Hartree, Unit is Angstrom
 C     -0.3994633864     -2.2598476099      2.8458554575
 C     -0.7069657416     -1.1392209100      3.2610016270
 C     -1.0327574358      0.1269755337      3.1693832506
 C     -1.4138511379      1.2573111829      2.8849327563
 C     -1.6355963456      2.2621161317      1.9966417861
 C     -1.6819745790      2.9629942748      1.0157438755
 C     -1.3895230588      3.3521186477     -0.1945273010
 C     -0.9915429683      3.2980670778     -1.3551379410
 C     -0.3211472243      2.7743133707     -2.4005119046
 C      0.2070998738      1.9497476053     -3.1083681801
 C      0.8707987630      0.8463269622     -3.4674242498
 C      1.3217023567     -0.2980819719     -3.4561423349
 C      1.5742015830     -1.5499665351     -2.9892494206
 C      1.6812166774     -2.5589053745     -2.3124853402
 C      1.5269780622     -3.4192068212     -1.3023858059
 C      1.0943162677     -3.7577340526     -0.2080657011
 C      0.4209539163     -3.6983572177      0.9615172833
 C      0.0613324560     -3.1602729768      1.9915764518
18
# ORCA AIMD Position Step 1679, t=1679.00 fs, E_Pot=-685.24008917 Hartree, Unit is Angstrom
 C     -0.4063751538     -2.2614452110      2.8403490735
 C     -0.7034097757     -1.1452565633      3.2659912741
 C     -1.0328359772      0.1214297022      3.1777756466
 C     -1.4078715532      1.2479532292      2.8805990346
 C     -1.6362623787      2.2584986746      2.0030613600
 C     -1.6803135345      2.9708994132      1.0135711970
 C     -1.3844402077      3.3500624874     -0.1966178612
 C     -0.9907327497      3.2981187274     -1.3496317296
 C     -0.3109279548      2.7705782038     -2.3966744178
 C      0.2079228177      1.9547424720     -3.1060970217
 C      0.8742927634      0.8480330876     -3.4681762601
 C      1.3217111259     -0.2919931124     -3.4606869128
 C      1.5755665011     -1.5508820937     -2.9981634207
 C      1.6788790711     -2.5537770952     -2.3137134698
 C      1.5233314021     -3.4169151770     -1.3029841429
 C      1.0969573006     -3.7532202729     -0.2091332735
 C      0.4124927931     -3.6977203581      0.9620180739
 C      0.0500692651     -3.1623156874      1.9866694607
18
# ORCA AIMD Position Step 1680, t=1680.00 fs, E_Pot=-685.23972783 Hartree, Unit is Angstrom
 C     -0.4136185684     -2.2616838802      2.8356360474
 C     -0.6993832702     -1.1532361606      3.2706451394
 C     -1.0336284205      0.1174240914      3.1864779545
 C     -1.4018250096      1.2387226447      2.8757203801
 C     -1.6369218634      2.2547174346      2.0099268517
 C     -1.6789191494      2.9781749523      1.0134523151
 C     -1.3790981725      3.3485330382     -0.2007557999
 C     -0.9895675333      3.2982075984     -1.3442538770
 C     -0.3018918935      2.7679204875     -2.3918771577
 C      0.2096404781      1.9590995040     -3.1046198365
 C      0.8780128503      0.8487945197     -3.4691044698
 C      1.3215010050     -0.2859405710     -3.4649179569
 C      1.5770748508     -1.5513666914     -3.0073110338
 C      1.6766527444     -2.5482669826     -2.3155327955
 C      1.5193240192     -3.4147865990     -1.3029036015
 C      1.0992347466     -3.7488773422     -0.2102603784
 C      0.4051167923     -3.6973195997      0.9617722192
 C      0.0386215649     -3.1648809116      1.9818555459
18
# ORCA AIMD Position Step 1681, t=1681.00 fs, E_Pot=-685.23930522 Hartree, Unit is Angstrom
 C     -0.4211082050     -2.2609025204      2.8316579618
 C     -0.6950551597     -1.1626445567      3.2750700555
 C     -1.0350124042      0.1146558403      3.1955187126
 C     -1.3957827312      1.2297273646      2.8703616019
 C     -1.6375894185      2.2513968519      2.0163788234
 C     -1.6777656583      2.9842774034      1.0161017555
 C     -1.3737717415      3.3475436860     -0.2061295144
 C     -0.9877045160      3.2982498538     -1.3398163160
 C     -0.2943047192      2.7666823507     -2.3858008191
 C      0.2124935372      1.9624555344     -3.1041956187
 C      0.8817686956      0.8490503022     -3.4702060737
 C      1.3212380155     -0.2803698334     -3.4688166744
 C      1.5787014807     -1.5513385717     -3.0166856607
 C      1.6745332749     -2.5424417763     -2.3179005448
 C      1.5150603541     -3.4126896570     -1.3024053119
 C      1.1009779154     -3.7447705180     -0.2111562067
 C      0.3989711004     -3.6972663850      0.9604786377
 C      0.0269435345     -3.1679015862      1.9772756437
18
# ORCA AIMD Position Step 1682, t=1682.00 fs, E_Pot=-685.23910026 Hartree, Unit is Angstrom
 C     -0.4286989949     -2.2596565350      2.8282371298
 C     -0.6906641760     -1.1726875294      3.2794489142
 C     -1.0368262758      0.1126897591      3.2049451315
 C     -1.3898220359      1.2210917239      2.8645853645
 C     -1.6382720966      2.2490135889      2.0217801301
 C     -1.6767890049      2.9888778185      1.0218066067
 C     -1.3688023415      3.3470647895     -0.2116909256
 C     -0.9848428544      3.2981925524     -1.3370807374
 C     -0.2882140549      2.7669244237     -2.3784249073
 C      0.2165484188      1.9647111786     -3.1048718855
 C      0.8853717046      0.8492556725     -3.4714788770
 C      1.3210980844     -0.2757373706     -3.4723802510
 C      1.5804255400     -1.5507382628     -3.0262723854
 C      1.6725109600     -2.5364027922     -2.3207344563
 C      1.5106544083     -3.4104616605     -1.3018010522
 C      1.1020486034     -3.7409691994     -0.2115778108
 C      0.3941239838     -3.6976109591      0.9580068251
 C      0.0150092343     -3.1713314983      1.9729995214
18
# ORCA AIMD Position Step 1683, t=1683.00 fs, E_Pot=-685.23926688 Hartree, Unit is Angstrom
 C     -0.4362129170     -2.2586388162      2.8251104367
 C     -0.6864831734     -1.1824130018      3.2840218867
 C     -1.0388935665      0.1110424674      3.2148058176
 C     -1.3840238440      1.2129577876      2.8584402998
 C     -1.6389634163      2.2478331034      2.0257828290
 C     -1.6758957444      2.9918789665      1.0304219607
 C     -1.3645357193      3.3470341823     -0.2163521557
 C     -0.9807888137      3.2980280003     -1.3365925626
 C     -0.2834377647      2.7684103122     -2.3700539152
 C      0.2216867709      1.9660483468     -3.1064679000
 C      0.8886672487      0.8498040849     -3.4729235290
 C      1.3212401044     -0.2724378386     -3.4756233116
 C      1.5822293137     -1.5495364482     -3.0360429902
 C      1.6705715686     -2.5302780754     -2.3239223628
 C      1.5062154925     -3.4079301272     -1.3014040815
 C      1.1023593958     -3.7375348649     -0.2113690908
 C      0.3905598970     -3.6983382345      0.9544060664
 C      0.0028275447     -3.1751581007      1.9690080973
18
# ORCA AIMD Position Step 1684, t=1684.00 fs, E_Pot=-685.23978606 Hartree, Unit is Angstrom
 C     -0.4434765008     -2.2585519699      2.8219884314
 C     -0.6827738461     -1.1908793123      3.2890465850
 C     -1.0410503482      0.1092759121      3.2251301947
 C     -1.3784657665      1.2054673776      2.8519617778
 C     -1.6396398907      2.2478766347      2.0283534560
 C     -1.6749794365      2.9934079470      1.0414253800
 C     -1.3612439379      3.3473681115     -0.2192231291
 C     -0.9755200925      3.2978059579     -1.3385121770
 C     -0.2796001817      2.7706635237     -2.3612701407
 C      0.2276415716      1.9668739171     -3.1086205810
 C      0.8915635117      0.8509527136     -3.4745448838
 C      1.3217762275     -0.2707271862     -3.4785779081
 C      1.5841006161     -1.5477466883     -3.0459482612
 C      1.6686992201     -2.5242028755     -2.3273418022
 C      1.5018310000     -3.4049383955     -1.3014749877
 C      1.1018869830     -3.7345083950     -0.2104949897
 C      0.3881816759     -3.6993753771      0.9498904387
 C     -0.0095484167     -3.1794095592      1.9651905642
18
# ORCA AIMD Position Step 1685, t=1685.00 fs, E_Pot=-685.24041526 Hartree, Unit is Angstrom
 C     -0.4503595888     -2.2599524047      2.8186296416
 C     -0.6797416089     -1.1973397911      3.2947358511
 C     -1.0431680093      0.1070708047      3.2359133522
 C     -1.3732120350      1.1987339213      2.8451785617
 C     -1.6402608297      2.2489178346      2.0297667721
 C     -1.6739358517      2.9937939980      1.0539922030
 C     -1.3590668695      3.3479712001     -0.2197878948
 C     -0.9692234968      3.2976397154     -1.3425112437
 C     -0.2762033651      2.7730760928     -2.3528318313
 C      0.2340750508      1.9676972452     -3.1108805071
 C      0.8940427699      0.8527839495     -3.4763497566
 C      1.3227493272     -0.2706605414     -3.4812938590
 C      1.5860334486     -1.5454378457     -3.0559137575
 C      1.6668741149     -2.5183095323     -2.3308693065
 C      1.4975581354     -3.4013596414     -1.3021881912
 C      1.1006806354     -3.7319005890     -0.2090627309
 C      0.3868240927     -3.7006126153      0.9447977555
 C     -0.0220282767     -3.1841440535      1.9613698685
18
# ORCA AIMD Position Step 1686, t=1686.00 fs, E_Pot=-685.24074392 Hartree, Unit is Angstrom
 C     -0.4568078370     -2.2631081916      2.8149124767
 C     -0.6774972501     -1.2014115748      3.3011940481
 C     -1.0451723204      0.1042868264      3.2471028296
 C     -1.3683031709      1.1928066512      2.8381305024
 C     -1.6407713034      2.2505139072      2.0305583810
 C     -1.6726761089      2.9935291128      1.0671011769
 C     -1.3579865506      3.3487454804     -0.2179778040
 C     -0.9622789815      3.2976946919     -1.3477956587
 C     -0.2727205170      2.7750361655     -2.3455324161
 C      0.2406592763      1.9690061846     -3.1128173571
 C      0.8961606230      0.8551980816     -3.4783458604
 C      1.3241253836     -0.2720704729     -3.4838372114
 C      1.5880328118     -1.5427400565     -3.0658387571
 C      1.6650778350     -2.5127093045     -2.3343970208
 C      1.4934146429     -3.3971085458     -1.3036118459
 C      1.0988543391     -3.7296886272     -0.2073179696
 C      0.3862777031     -3.7019290320      0.9395312911
 C     -0.0345017742     -3.1894336894      1.9573389999
18
# ORCA AIMD Position Step 1687, t=1687.00 fs, E_Pot=-685.24045627 Hartree, Unit is Angstrom
 C     -0.4628577922     -2.2679222614      2.8108802687
 C     -0.6760425252     -1.2031560736      3.3083788112
 C     -1.0470492063      0.1009783334      3.2585954774
 C     -1.3637474816      1.1876380636      2.8308913999
 C     -1.6411108532      2.2520845798      2.0314239595
 C     -1.6711343074      2.9932057803      1.0796573662
 C     -1.3578466165      3.3495959495     -0.2141080222
 C     -0.9551930357      3.2981652544     -1.3532573203
 C     -0.2686854773      2.7760402636     -2.3400628239
 C      0.2471459826      1.9711622667     -3.1141087069
 C      0.8980294668      0.8579476165     -3.4805395366
 C      1.3258010648     -0.2745869243     -3.4862877432
 C      1.5901141044     -1.5398426042     -3.0756008155
 C      1.6632949864     -2.5074792574     -2.3378459467
 C      1.4893797852     -3.3921461180     -1.3057088695
 C      1.0965714286     -3.7278180095     -0.2056144443
 C      0.3863178429     -3.7032189426      0.9344909716
 C     -0.0468575445     -3.1953468878      1.9529030065
18
# ORCA AIMD Position Step 1688, t=1688.00 fs, E_Pot=-685.23963904 Hartree, Unit is Angstrom
 C     -0.4686205673     -2.2739692341      2.8067316119
 C     -0.6752855228     -1.2030451366      3.3161016675
 C     -1.0488388811      0.0973700173      3.2702459400
 C     -1.3595212720      1.1830805279      2.8235777564
 C     -1.6412218162      2.2530248077      2.0330812401
 C     -1.6692685570      2.9934222661      1.0906407748
 C     -1.3584045213      3.3504390322     -0.2087315397
 C     -0.9484899219      3.2992338817     -1.3577119097
 C     -0.2637760369      2.7757794227     -2.3368906564
 C      0.2534137218      1.9743319060     -3.1145940863
 C      0.8997874855      0.8607066459     -3.4829341637
 C      1.3276253238     -0.2776964241     -3.4887339166
 C      1.5923010343     -1.5369806071     -3.0850661303
 C      1.6615112515     -2.5026629130     -2.3411674069
 C      1.4854062675     -3.3864708107     -1.3083632288
 C      1.0940207683     -3.7262121367     -0.2043626562
 C      0.3867359425     -3.7044126013      0.9300115833
 C     -0.0590071392     -3.2019217778      1.9479257678
18
# ORCA AIMD Position Step 1689, t=1689.00 fs, E_Pot=-685.23876116 Hartree, Unit is Angstrom
 C     -0.4742465358     -2.2806154796      2.8027664213
 C     -0.6750751351     -1.2018321731      3.3240681049
 C     -1.0506176338      0.0937987611      3.2818816283
 C     -1.3555764328      1.1789039989      2.8163513975
 C     -1.6410591210      2.2528452334      2.0361011323
 C     -1.6670582564      2.9946632363      1.0992694296
 C     -1.3593876395      3.3512098329     -0.2024871902
 C     -0.9426026538      3.3010251438     -1.3601315129
 C     -0.2578788665      2.7741946453     -2.3361709616
 C      0.2594850812      1.9784606827     -3.1142949960
 C      0.9015688604      0.8631432918     -3.4855287406
 C      1.3294271008     -0.2808219594     -3.4912657685
 C      1.5946227619     -1.5344136807     -3.0940994461
 C      1.6597156829     -2.4982730238     -2.3443423146
 C      1.4814323544     -3.3801102452     -1.3114132999
 C      1.0913884272     -3.7247840686     -0.2039720536
 C      0.3873669000     -3.7054871761      0.9263178844
 C     -0.0709030269     -3.2091437525      1.9423651479
18
# ORCA AIMD Position Step 1690, t=1690.00 fs, E_Pot=-685.23827508 Hartree, Unit is Angstrom
 C     -0.4798859487     -2.2871705785      2.7993117853
 C     -0.6752417839     -1.2003810330      3.3319363129
 C     -1.0524739100      0.0906387664      3.2933201951
 C     -1.3518520654      1.1748289047      2.8094139185
 C     -1.6405983772      2.2513039454      2.0407529678
 C     -1.6645011517      2.9971843240      1.1051409742
 C     -1.3605362741      3.3518678768     -0.1959865083
 C     -0.9377964007      3.3035695709     -1.3598087967
 C     -0.2511225941      2.7714973382     -2.3377039841
 C      0.2655176483      1.9832835726     -3.1134079289
 C      0.9034814605      0.8649782796     -3.4883179930
 C      1.3310422646     -0.2834057108     -3.4939676834
 C      1.5971090046     -1.5323981358     -3.1025731430
 C      1.6579022927     -2.4942972294     -2.3473793564
 C      1.4773956899     -3.3731158437     -1.3146809732
 C      1.0888329344     -3.7234487686     -0.2047980756
 C      0.3881068329     -3.7064657755      0.9235038659
 C     -0.0825445286     -3.2169311984      1.9362898671
18
# ORCA AIMD Position Step 1691, t=1691.00 fs, E_Pot=-685.23824708 Hartree, Unit is Angstrom
 C     -0.4856581825     -2.2930177374      2.7966561335
 C     -0.6756318569     -1.1995084045      3.3393706872
 C     -1.0544845666      0.0882243306      3.3043888994
 C     -1.3482865845      1.1705657116      2.8029916731
 C     -1.6398400701      2.2484841505      2.0469188224
 C     -1.6616112301      3.0009428552      1.1083067571
 C     -1.3616320788      3.3523995003     -0.1897448490
 C     -0.9341369443      3.3067906830     -1.3564331029
 C     -0.2438671678      2.7681461133     -2.3409557060
 C      0.2717738016      1.9883666437     -3.1122736283
 C      0.9055942594      0.8660242890     -3.4912933385
 C      1.3323377034     -0.2849852666     -3.4969094695
 C      1.5997831988     -1.5311552910     -3.1103773614
 C      1.6560712170     -2.4907032031     -2.3503117221
 C      1.4732444910     -3.3655591095     -1.3179942707
 C      1.0864685208     -3.7221327418     -0.2071004710
 C      0.3889164725     -3.7074089395      0.9215356507
 C     -0.0939723435     -3.2251325934      1.9298752226
18
# ORCA AIMD Position Step 1692, t=1692.00 fs, E_Pot=-685.23840388 Hartree, Unit is Angstrom
 C     -0.4916385898     -2.2976988672      2.7950036920
 C     -0.6761305566     -1.1998700004      3.3460842385
 C     -1.0566968988      0.0867863200      3.3149434197
 C     -1.3448261443      1.1658501122      2.7973165758
 C     -1.6388079671      2.2447884297      2.0541084168
 C     -1.6584185969      3.0056060172      1.1092511078
 C     -1.3625148918      3.3528180749     -0.1841424144
 C     -0.9315041471      3.3105203559     -1.3500854950
 C     -0.2366371336      2.7647670713     -2.3451523863
 C      0.2785694569      1.9931851621     -3.1113166730
 C      0.9079340019      0.8662052497     -3.4944449801
 C      1.3332301737     -0.2852538896     -3.5001403759
 C      1.6026566204     -1.5308403634     -3.1174334924
 C      1.6542306727     -2.4874427555     -2.3531943800
 C      1.4689434688     -3.3575297398     -1.3212021515
 C      1.0843551186     -3.7207803034     -0.2110177894
 C      0.3898118555     -3.7083978615      0.9202769113
 C     -0.1052538096     -3.2335419953      1.9233733018
18
# ORCA AIMD Position Step 1693, t=1693.00 fs, E_Pot=-685.23848992 Hartree, Unit is Angstrom
 C     -0.4978503671     -2.3009592228      2.7944486571
 C     -0.6766791621     -1.2018829842      3.3518648080
 C     -1.0591125722      0.0863991357      3.3248869960
 C     -1.3414347876      1.1604850573      2.7925917222
 C     -1.6375398202      2.2408346195      2.0615866593
 C     -1.6549675402      3.0106352132      1.1087662035
 C     -1.3630929274      3.3531642361     -0.1794013973
 C     -0.9296331601      3.3145303361     -1.3411758448
 C     -0.2300201665      2.7620407930     -2.3494245594
 C      0.2862115158      1.9972241144     -3.1109628240
 C      0.9104869372      0.8655663142     -3.4977656114
 C      1.3337029040     -0.2841176895     -3.5036837939
 C      1.6057235455     -1.5315028960     -3.1237121305
 C      1.6523952957     -2.4844644343     -2.3560950959
 C      1.4644799156     -3.3491260449     -1.3241929200
 C      1.0824933437     -3.7193608656     -0.2165543173
 C      0.3908492899     -3.7095153311      0.9195257961
 C     -0.1164753550     -3.2419218547      1.9170763287
18
# ORCA AIMD Position Step 1694, t=1694.00 fs, E_Pot=-685.23847552 Hartree, Unit is Angstrom
 C     -0.5042718821     -2.3027565296      2.7949712449
 C     -0.6772779880     -1.2056984973      3.3565915625
 C     -1.0616850937      0.0869637257      3.3341799412
 C     -1.3381011139      1.1543741052      2.7889646895
 C     -1.6360759945      2.2373163201      2.0685359692
 C     -1.6513131181      3.0154062966      1.1077834874
 C     -1.3633469337      3.3534997609     -0.1755726063
 C     -0.9281693063      3.3185735118     -1.3303533270
 C     -0.2245390027      2.7605515993     -2.3529882143
 C      0.2949175093      2.0001058486     -3.1115292400
 C      0.9132053320      0.8642653159     -3.5012529415
 C      1.3338113360     -0.2817127733     -3.5075380712
 C      1.6089593816     -1.5330713283     -3.1292425357
 C      1.6505853224     -2.4817238691     -2.3590838195
 C      1.4598647571     -3.3404448993     -1.3269066989
 C      1.0808278121     -3.7178713287     -0.2235825153
 C      0.3920986139     -3.7108267441      0.9190649211
 C     -0.1277182060     -3.2500366693      1.9112619741
18
# ORCA AIMD Position Step 1695, t=1695.00 fs, E_Pot=-685.23842184 Hartree, Unit is Angstrom
 C     -0.5108423777     -2.3032533092      2.7964428271
 C     -0.6779841429     -1.2111999838      3.3602424656
 C     -1.0643222569      0.0882133623      3.3428404537
 C     -1.3348457139      1.1475530820      2.7865022308
 C     -1.6344474210      2.2348589141      2.0742158932
 C     -1.6475140987      3.0193263639      1.1071995759
 C     -1.3633302222      3.3538984649     -0.1725291416
 C     -0.9267164836      3.3224149168     -1.3184195296
 C     -0.2205439255      2.7606594197     -2.3552969326
 C      0.3047425841      2.0016998356     -3.1131253625
 C      0.9160155467      0.8625557645     -3.5049112924
 C      1.3336799070     -0.2783964740     -3.5116800286
 C      1.6123208614     -1.5353510677     -3.1341155980
 C      1.6488249641     -2.4791993927     -2.3622163309
 C      1.4551353763     -3.3315694502     -1.3293505023
 C      1.0792535841     -3.7163386101     -0.2318519031
 C      0.3936174850     -3.7123644204      0.9187070408
 C     -0.1390369739     -3.2576800098      1.9061490518
18
# ORCA AIMD Position Step 1696, t=1696.00 fs, E_Pot=-685.23824000 Hartree, Unit is Angstrom
 C     -0.5174707250     -2.3027924127      2.7986405589
 C     -0.6789005813     -1.2180371018      3.3628923749
 C     -1.0668960634      0.0897484133      3.3509381438
 C     -1.3317272264      1.1402112480      2.7851725502
 C     -1.6326647886      2.2339083786      2.0780792352
 C     -1.6436271606      3.0219170020      1.1077507386
 C     -1.3631566181      3.3544380128     -0.1699918942
 C     -0.9248793277      3.3258522113     -1.3062388805
 C     -0.2181496141      2.7624283638     -2.3561275365
 C      0.3155370176      2.0021788087     -3.1156001957
 C      0.9188295855      0.8607552865     -3.5087517134
 C      1.3334891104     -0.2746978151     -3.5160722735
 C      1.6157516487     -1.5380474433     -3.1384749862
 C      1.6471382953     -2.4768954965     -2.3655292217
 C      1.4503535209     -3.3225660922     -1.3315941628
 C      1.0776266581     -3.7148178732     -0.2410089048
 C      0.3954300069     -3.7141168619      0.9183294729
 C     -0.1504402715     -3.2646972664      1.9018620349
18
# ORCA AIMD Position Step 1697, t=1697.00 fs, E_Pot=-685.23770928 Hartree, Unit is Angstrom
 C     -0.5240463659     -2.3018727862      2.8012614673
 C     -0.6801621820     -1.2256668477      3.3647093798
 C     -1.0692612890      0.0910933564      3.3585774287
 C     -1.3288372449      1.1326770118      2.7848490090
 C     -1.6307125932      2.2346536050      2.0798515154
 C     -1.6396988623      3.0228797980      1.1099107545
 C     -1.3629837512      3.3551891066     -0.1675650013
 C     -0.9222965792      3.3287282149     -1.2946532550
 C     -0.2172297413      2.7656282299     -2.3555832531
 C      0.3269583447      2.0019980034     -3.1185562124
 C      0.9215566315      0.8592039133     -3.5127897741
 C      1.3334485383     -0.2712379296     -3.5206720535
 C      1.6191885915     -1.5407992661     -3.1425051055
 C      1.6455507230     -2.4748473767     -2.3690327642
 C      1.4456004431     -3.3134772522     -1.3337694306
 C      1.0757739978     -3.7133897948     -0.2506200917
 C      0.3975134794     -3.7160269800      0.9178930257
 C     -0.1618794577     -3.2709937349      1.8984146228
18
# ORCA AIMD Position Step 1698, t=1698.00 fs, E_Pot=-685.23669855 Hartree, Unit is Angstrom
 C     -0.5304518549     -2.3010960810      2.8039535781
 C     -0.6819170043     -1.2334295208      3.3659333705
 C     -1.0712761250      0.0917660135      3.3658776521
 C     -1.3262901420      1.1253767008      2.7853315725
 C     -1.6285489254      2.2369975401      2.0795637612
 C     -1.6357621456      3.0221296378      1.1138414765
 C     -1.3629747808      3.3562070436     -0.1648210649
 C     -0.9186764035      3.3309344485     -1.2843791869
 C     -0.2174746993      2.7698203722     -2.3540095768
 C      0.3385352446      2.0017991487     -3.1214366991
 C      0.9241239095      0.8582049920     -3.5170453907
 C      1.3337630856     -0.2686254957     -3.5254398308
 C      1.6225692924     -1.5432315978     -3.1464085624
 C      1.6440879336     -2.4731058034     -2.3727195220
 C      1.4409645594     -3.3043253314     -1.3360449573
 C      1.0735128078     -3.7121482252     -0.2602165969
 C      0.3997929389     -3.7180009342      0.9174381841
 C     -0.1732513732     -3.2765371013      1.8957169083
18
# ORCA AIMD Position Step 1699, t=1699.00 fs, E_Pot=-685.23539421 Hartree, Unit is Angstrom
 C     -0.5365764235     -2.3010905875      2.8063556165
 C     -0.6843101908     -1.2406462157      3.3668373310
 C     -1.0728194074      0.0913436182      3.3729486015
 C     -1.3242056917      1.1187712610      2.7863852281
 C     -1.6261108714      2.2405677296      2.0775502069
 C     -1.6318335351      3.0198031578      1.1193774644
 C     -1.3632619410      3.3575282392     -0.1613911808
 C     -0.9138259606      3.3324092376     -1.2759191098
 C     -0.2184743053      2.7744721524     -2.3518777663
 C      0.3497579000      2.0022751267     -3.1236395815
 C      0.9264900599      0.8579753732     -3.5215380607
 C      1.3345987903     -0.2673453995     -3.5303483018
 C      1.6258426527     -1.5450079258     -3.1503791513
 C      1.6427689149     -2.4717223425     -2.3765791176
 C      1.4365287598     -3.2951233232     -1.3385866259
 C      1.0706684419     -3.7111872404     -0.2693463153
 C      0.4021544355     -3.7199197346      0.9170631350
 C     -0.1844140526     -3.2813462290      1.8936023194
18
# ORCA AIMD Position Step 1700, t=1700.00 fs, E_Pot=-685.23415521 Hartree, Unit is Angstrom
 C     -0.5423338837     -2.3024123941      2.8081515587
 C     -0.6874592371     -1.2467323223      3.3676800233
 C     -1.0738141521      0.0895442914      3.3798553645
 C     -1.3226865569      1.1132685320      2.7877925189
 C     -1.6233246161      2.2447481732      2.0744238632
 C     -1.6279163245      3.0162538594      1.1260506582
 C     -1.3639054790      3.3591699450     -0.1570709158
 C     -0.9076780691      3.3331325614     -1.2694884834
 C     -0.2198004573      2.7790645341     -2.3496729916
 C      0.3601597652      2.0040478516     -3.1246218888
 C      0.9286595249      0.8585974824     -3.5262831243
 C      1.3360510854     -0.2676697821     -3.5353858306
 C      1.6289710364     -1.5458766085     -3.1545749038
 C      1.6416148228     -2.4707189614     -2.3806243599
 C      1.4323507583     -3.2858990402     -1.3415070690
 C      1.0670932862     -3.7105819766     -0.2776244068
 C      0.4044564887     -3.7216569853      0.9168971666
 C     -0.1951977591     -3.2854795551      1.8918547211
18
# ORCA AIMD Position Step 1701, t=1701.00 fs, E_Pot=-685.23329534 Hartree, Unit is Angstrom
 C     -0.5476751103     -2.3054409214      2.8091263378
 C     -0.6914363064     -1.2513103103      3.3686467144
 C     -1.0742398460      0.0862827247      3.3865899528
 C     -1.3217985121      1.1091438559      2.7894038087
 C     -1.6201179165      2.2487466657      2.0710183669
 C     -1.6240069234      3.0120183006      1.1331435720
 C     -1.3648684971      3.3611324432     -0.1518805579
 C     -0.9003019205      3.3331196481     -1.2649932320
 C     -0.2210718547      2.7831716289     -2.3478112672
 C      0.3693837528      2.0075624891     -3.1239785622
 C      0.9306801949      0.8600126433     -3.5312827348
 C      1.3381248818     -0.2696036996     -3.5405560120
 C      1.6319340182     -1.5457024711     -3.1590965534
 C      1.6406492226     -2.4700722083     -2.3849040233
 C      1.4284513347     -3.2767145445     -1.3448228287
 C      1.0626822462     -3.7103720535     -0.2847756175
 C      0.4065518776     -3.7230946083      0.9170655747
 C     -0.2054227552     -3.2890187768      1.8902465021
18
# ORCA AIMD Position Step 1702, t=1702.00 fs, E_Pot=-685.23293011 Hartree, Unit is Angstrom
 C     -0.5525943428     -2.3102987947      2.8092083413
 C     -0.6962554962     -1.2542915122      3.3698041880
 C     -1.0741386925      0.0816963225      3.3930564060
 C     -1.3215566900      1.1064900727      2.7911692461
 C     -1.6164317312      2.2516942491      2.0682841181
 C     -1.6201001334      3.0077455061      1.1397962034
 C     -1.3660138417      3.3634009156     -0.1460760178
 C     -0.8918940954      3.3324151324     -1.2620629340
 C     -0.2220002054      2.7865078756     -2.3465835217
 C      0.3772235924      2.0130200465     -3.1214920699
 C      0.9326304191      0.8620465941     -3.5365163772
 C      1.3407359915     -0.2728803466     -3.5458758126
 C      1.6347295659     -1.5444808836     -3.1639756996
 C      1.6398932621     -2.4697076901     -2.3895057896
 C      1.4248074151     -3.2676829077     -1.3484308346
 C      1.0573874609     -3.7105473100     -0.2906584159
 C      0.4083062186     -3.7241373933      0.9176599048
 C     -0.2149158857     -3.2920520398      1.8885713737
18
# ORCA AIMD Position Step 1703, t=1703.00 fs, E_Pot=-685.23302444 Hartree, Unit is Angstrom
 C     -0.5571330534     -2.3168252886      2.8084837430
 C     -0.7018670396     -1.2559000248      3.3710842659
 C     -1.0736114738      0.0761309243      3.3990793167
 C     -1.3219218362      1.1052048079      2.7931464953
 C     -1.6122291219      2.2527858913      2.0671281184
 C     -1.6161943686      3.0040784874      1.1451707002
 C     -1.3671239096      3.3659490227     -0.1401028523
 C     -0.8827474847      3.3310862246     -1.2601354826
 C     -0.2224182407      2.7889539119     -2.3461237768
 C      0.3836463628      2.0203439912     -3.1171566794
 C      0.9345980575      0.8644607011     -3.5419338166
 C      1.3437243378     -0.2770012101     -3.5513733731
 C      1.6373728678     -1.5423333624     -3.1691766798
 C      1.6393674353     -2.4695083925     -2.3945467457
 C      1.4213544621     -3.2589658885     -1.3521109893
 C      1.0512191488     -3.7110450475     -0.2952665495
 C      0.4096153177     -3.7247227429      0.9187121835
 C     -0.2235262460     -3.2946633013      1.8866714183
18
# ORCA AIMD Position Step 1704, t=1704.00 fs, E_Pot=-685.23345239 Hartree, Unit is Angstrom
 C     -0.5613712793     -2.3246138497      2.8071739718
 C     -0.7081670299     -1.2566268064      3.3723026383
 C     -1.0728016739      0.0700821047      3.4044323786
 C     -1.3228075834      1.1050167045      2.7954850076
 C     -1.6075003610      2.2514486232      2.0682173391
 C     -1.6122933373      3.0015033699      1.1486513752
 C     -1.3679361992      3.3687431967     -0.1345129194
 C     -0.8732035943      3.3292142638     -1.2585708501
 C     -0.2222947714      2.7905631554     -2.3463931144
 C      0.3887955760      2.0291825342     -3.1111805591
 C      0.9366602738      0.8670148140     -3.5474536062
 C      1.3468805586     -0.2813126691     -3.5570848616
 C      1.6398908481     -1.5394847828     -3.1746111411
 C      1.6390887551     -2.4693389073     -2.4001472914
 C      1.4179960402     -3.2507571340     -1.3555617571
 C      1.0442411089     -3.7117551458     -0.2987106905
 C      0.4104189581     -3.7248276420      0.9201816667
 C     -0.2311427872     -3.2969199183      1.8844552809
18
# ORCA AIMD Position Step 1705, t=1705.00 fs, E_Pot=-685.23398754 Hartree, Unit is Angstrom
 C     -0.5654136741     -2.3331072905      2.8055821505
 C     -0.7150176659     -1.2571201078      3.3732047779
 C     -1.0718712011      0.0641027718      3.4088814350
 C     -1.3240953243      1.1055438388      2.7983915302
 C     -1.6022642535      2.2474813206      2.0718107730
 C     -1.6084061645      3.0002152619      1.1500106669
 C     -1.3681879794      3.3717462570     -0.1298582849
 C     -0.8635964845      3.3268861648     -1.2567712305
 C     -0.2217364086      2.7915549020     -2.3471797103
 C      0.3929762591      2.0389455772     -3.1039679476
 C      0.9388661197      0.8695239737     -3.5529674746
 C      1.3499813868     -0.2851098407     -3.5630494437
 C      1.6423178426     -1.5362163771     -3.1801639346
 C      1.6390654983     -2.4690783168     -2.4063972564
 C      1.4146213034     -3.2432509396     -1.3584596535
 C      1.0365548101     -3.7125360662     -0.3011786303
 C      0.4107078991     -3.7244701124      0.9219498937
 C     -0.2377067001     -3.2988644111      1.8819100082
18
# ORCA AIMD Position Step 1706, t=1706.00 fs, E_Pot=-685.23431547 Hartree, Unit is Angstrom
 C     -0.5693741793     -2.3417016637      2.8040362920
 C     -0.7222708747     -1.2580676069      3.3735165740
 C     -1.0709770301      0.0587126853      3.4122259864
 C     -1.3256492736      1.1063467129      2.8021011189
 C     -1.5965686343      2.2411290117      2.0776758373
 C     -1.6045439921      3.0000568070      1.1494851758
 C     -1.3676531805      3.3749215458     -0.1266085224
 C     -0.8542126850      3.3241875051     -1.2542636746
 C     -0.2209615448      2.7922739244     -2.3481353481
 C      0.3966114073      2.0488875346     -3.0960646867
 C      0.9412333597      0.8718824623     -3.5583519849
 C      1.3528166170     -0.2877155812     -3.5693084708
 C      1.6446931816     -1.5328315533     -3.1857145690
 C      1.6392944272     -2.4686460198     -2.4133307921
 C      1.4111209409     -3.2366131829     -1.3605122476
 C      1.0282878283     -3.7132311429     -0.3029118979
 C      0.4105128280     -3.7237033567      0.9238481166
 C     -0.2432118026     -3.3005161739      1.8790912232
18
# ORCA AIMD Position Step 1707, t=1707.00 fs, E_Pot=-685.23427070 Hartree, Unit is Angstrom
 C     -0.5733597990     -2.3498562771      2.8028289898
 C     -0.7297966480     -1.2600611875      3.3729976903
 C     -1.0702453801      0.0543018345      3.4143312502
 C     -1.3273365447      1.1070014443      2.8068355877
 C     -1.5904826087      2.2330128020      2.0851624593
 C     -1.6007147895      3.0005729771      1.1476910583
 C     -1.3661758902      3.3782324172     -0.1250663965
 C     -0.8452545002      3.3211941667     -1.2507654790
 C     -0.2202612077      2.7931387353     -2.3488262757
 C      0.4001855005      2.0582052314     -3.0880872728
 C      0.9437467440      0.8740829302     -3.5634812033
 C      1.3552207200     -0.2885872835     -3.5758950596
 C      1.6470516263     -1.5295856731     -3.1911690727
 C      1.6397574699     -2.4680267264     -2.4209034235
 C      1.4074044497     -3.2309522272     -1.3615150775
 C      1.0195713146     -3.7136897545     -0.3041546951
 C      0.4098996152     -3.7226075302      0.9256685964
 C     -0.2477024611     -3.3018692941      1.8761160617
18
# ORCA AIMD Position Step 1708, t=1708.00 fs, E_Pot=-685.23401839 Hartree, Unit is Angstrom
 C     -0.5774601807     -2.3571573998      2.8021812655
 C     -0.7374997375     -1.2635141476      3.3714734330
 C     -1.0697568225      0.0510733792      3.4151436853
 C     -1.3290407505      1.1071468577      2.8127792394
 C     -1.5840907081      2.2239930240      2.0933600504
 C     -1.5969187654      3.0011367687      1.1454528557
 C     -1.3636868674      3.3816414694     -0.1253222730
 C     -0.8368315519      3.3179727952     -1.2461959067
 C     -0.2199258254      2.7945527572     -2.3488279186
 C      0.4041619053      2.0661599283     -3.0806237817
 C      0.9463639440      0.8762090747     -3.5682390586
 C      1.3570896368     -0.2873729205     -3.5828274414
 C      1.6494168686     -1.5266507458     -3.1964744265
 C      1.6404214942     -2.4672749112     -2.4289895163
 C      1.4034095204     -3.2263084830     -1.3613791427
 C      1.0105300929     -3.7137812259     -0.3051332944
 C      0.4089507320     -3.7212766785      0.9272012666
 C     -0.2512581300     -3.3029000403      1.8731386946
18
# ORCA AIMD Position Step 1709, t=1709.00 fs, E_Pot=-685.23403597 Hartree, Unit is Angstrom
 C     -0.5817391772     -2.3633650720      2.8022203208
 C     -0.7453339512     -1.2685834507      3.3688634661
 C     -1.0695322265      0.0489940660      3.4146936101
 C     -1.3306793362      1.1065488244      2.8200421799
 C     -1.5774807236      2.2149873401      2.1012975571
 C     -1.5931442834      3.0011004264      1.1435905857
 C     -1.3602237821      3.3851045204     -0.1271939315
 C     -0.8289620899      3.3145856016     -1.2406822686
 C     -0.2201559326      2.7968050216     -2.3478300354
 C      0.4089063954      2.0721633042     -3.0741502453
 C      0.9490044528      0.8784616431     -3.5725120487
 C      1.3583958333     -0.2839648825     -3.5901033578
 C      1.6517944256     -1.5240806795     -3.2016304380
 C      1.6412379717     -2.4665221846     -2.4373724854
 C      1.3991125878     -3.2226408542     -1.3601540147
 C      1.0012635814     -3.7134033752     -0.3060092199
 C      0.4077626968     -3.7198136978      0.9282262078
 C     -0.2539777165     -3.3035768403      1.8703327172
18
# ORCA AIMD Position Step 1710, t=1710.00 fs, E_Pot=-685.23461191 Hartree, Unit is Angstrom
 C     -0.5862266606     -2.3683856243      2.8029813411
 C     -0.7532772646     -1.2752488519      3.3651599931
 C     -1.0695555665      0.0478683864      3.4130878718
 C     -1.3321963847      1.1050701154      2.8286776383
 C     -1.5707488197      2.2068817118      2.1080610012
 C     -1.5893717931      2.9998913997      1.1428131653
 C     -1.3558962212      3.3885758639     -0.1303332705
 C     -0.8216027509      3.3110812704     -1.2344700056
 C     -0.2209999712      2.7999994355     -2.3457249161
 C      0.4145718786      2.0759453930     -3.0689013906
 C      0.9516074820      0.8810163914     -3.5762392159
 C      1.3591720136     -0.2784516473     -3.5976930524
 C      1.6541715622     -1.5218502434     -3.2066627289
 C      1.6421498860     -2.4659037409     -2.4458167615
 C      1.3945236273     -3.2198716981     -1.3579735317
 C      0.9918947761     -3.7124901017     -0.3069703021
 C      0.4063652827     -3.7182940812      0.9286594632
 C     -0.2559528620     -3.3038776732      1.8678469476
18
# ORCA AIMD Position Step 1711, t=1711.00 fs, E_Pot=-685.23568772 Hartree, Unit is Angstrom
 C     -0.5909164813     -2.3723114423      2.8043965580
 C     -0.7613494455     -1.2832280008      3.3604624832
 C     -1.0697582428      0.0472911298      3.4105042306
 C     -1.3335865836      1.1027758536      2.8386157658
 C     -1.5639778782      2.2003571688      2.1129519107
 C     -1.5855701811      2.9971085758      1.1435691307
 C     -1.3509141479      3.3919984273     -0.1341434917
 C     -0.8146509809      3.3075127873     -1.2279388362
 C     -0.2223012386      2.8040012055     -2.3426587973
 C      0.4210964765      2.0775175394     -3.0648779455
 C      0.9540848756      0.8841254134     -3.5793702247
 C      1.3595234439     -0.2711605571     -3.6055395821
 C      1.6565128867     -1.5198369131     -3.2116261289
 C      1.6430900083     -2.4655813117     -2.4540444256
 C      1.3896942385     -3.2178631424     -1.3550930009
 C      0.9825212584     -3.7110135794     -0.3081227056
 C      0.4047753690     -3.7167826335      0.9284511010
 C     -0.2572622585     -3.3037908267      1.8658074762
18
# ORCA AIMD Position Step 1712, t=1712.00 fs, E_Pot=-685.23681455 Hartree, Unit is Angstrom
 C     -0.5957670944     -2.3753999518      2.8063054099
 C     -0.7695988280     -1.2920419386      3.3549619970
 C     -1.0700381084      0.0467154623      3.4071767321
 C     -1.3348922140      1.0999298872      2.8496658339
 C     -1.5572313684      2.1958229572      2.1155559009
 C     -1.5816993561      2.9925574496      1.1460181668
 C     -1.3455530247      3.3953103948     -0.1378774725
 C     -0.8079698622      3.3039319602     -1.2215254269
 C     -0.2237195577      2.8084648392     -2.3390093584
 C      0.4282097362      2.0771768374     -3.0618504963
 C      0.9563493781      0.8880464127     -3.5818833773
 C      1.3596056538     -0.2625917266     -3.6135642162
 C      1.6587657830     -1.5178699384     -3.2165783364
 C      1.6439894031     -2.4656915283     -2.4617889499
 C      1.3847095474     -3.2164408305     -1.3518522442
 C      0.9732229833     -3.7089858934     -0.3095195490
 C      0.4029747259     -3.7153212345      0.9276263657
 C     -0.2579633671     -3.3033229150      1.8642991570
18
# ORCA AIMD Position Step 1713, t=1713.00 fs, E_Pot=-685.23751979 Hartree, Unit is Angstrom
 C     -0.6007081262     -2.3780483704      2.8084730749
 C     -0.7780964196     -1.3010746424      3.3489216511
 C     -1.0702762957      0.0455224885      3.4033701367
 C     -1.3361976742      1.0969768543      2.8615289810
 C     -1.5505445786      2.1933675442      2.1157910774
 C     -1.5777136924      2.9862643965      1.1500265005
 C     -1.3401122132      3.3984492848     -0.1407384627
 C     -0.8014142735      3.3003872912     -1.2156530517
 C     -0.2247981190      2.8129131190     -2.3353012595
 C      0.4354996778      2.0754278436     -3.0594313752
 C      0.9583289868      0.8930042016     -3.5837874620
 C      1.3596025266     -0.2533408445     -3.6216792749
 C      1.6608680941     -1.5157755425     -3.2215591348
 C      1.6447806932     -2.4663151992     -2.4688335590
 C      1.3796791657     -3.2154078781     -1.3486443953
 C      0.9640559109     -3.7064535238     -0.3111611587
 C      0.4009139743     -3.7139290240      0.9262737036
 C     -0.2580922385     -3.3024994084      1.8633629736
18
# ORCA AIMD Position Step 1714, t=1714.00 fs, E_Pot=-685.23763268 Hartree, Unit is Angstrom
 C     -0.6056509468     -2.3807425932      2.8106239606
 C     -0.7869256574     -1.3096551314      3.3426439681
 C     -1.0703602188      0.0431131424      3.3993437555
 C     -1.3376110153      1.0944739696      2.8738390156
 C     -1.5439229708      2.1927531754      2.1139205192
 C     -1.5735668701      2.9784736236      1.1551862626
 C     -1.3348639399      3.4013535967     -0.1420016437
 C     -0.7948630309      3.2969239334     -1.2106544407
 C     -0.2250560695      2.8168399916     -2.3320944184
 C      0.4425042647      2.0728750291     -3.0571713377
 C      0.9599839274      0.8991453944     -3.5851208415
 C      1.3596974449     -0.2440061974     -3.6297980157
 C      1.6627551767     -1.5134193562     -3.2265721915
 C      1.6454033710     -2.4674541230     -2.4750390627
 C      1.3747237830     -3.2145628592     -1.3458785595
 C      0.9550493809     -3.7034872141     -0.3130051737
 C      0.3985235248     -3.7126069808      0.9245217985
 C     -0.2576672270     -3.3013624664      1.8630013205
18
# ORCA AIMD Position Step 1715, t=1715.00 fs, E_Pot=-685.23735978 Hartree, Unit is Angstrom
 C     -0.6105041642     -2.3839781358      2.8124871922
 C     -0.7961673569     -1.3171571170      3.3364283913
 C     -1.0702093055      0.0390155307      3.3953093509
 C     -1.3392356801      1.0929786862      2.8862235773
 C     -1.5373484451      2.1934517801      2.1105283399
 C     -1.5692177742      2.9696309741      1.1608519722
 C     -1.3300023747      3.4039603255     -0.1411316234
 C     -0.7882539815      3.2935858467     -1.2067038823
 C     -0.2240743473      2.8198048771     -2.3298785839
 C      0.4487935973      2.0701194166     -3.0546500779
 C      0.9613216271      0.9064939076     -3.5859489626
 C      1.3600459972     -0.2351007192     -3.6378400566
 C      1.6643652781     -1.5107347538     -3.2315739337
 C      1.6458061328     -2.4690227922     -2.4803560102
 C      1.3699609194     -3.2137190212     -1.3439412239
 C      0.9462130520     -3.7001676484     -0.3149850227
 C      0.3957279517     -3.7113450887      0.9225126636
 C     -0.2566943961     -3.2999673644      1.8631874104
18
# ORCA AIMD Position Step 1716, t=1716.00 fs, E_Pot=-685.23709335 Hartree, Unit is Angstrom
 C     -0.6151912653     -2.3881625250      2.8138505785
 C     -0.8058789057     -1.3231078586      3.3305230462
 C     -1.0698001340      0.0329935200      3.3913929231
 C     -1.3411395006      1.0929192544      2.8983696006
 C     -1.5307895211      2.1947201732      2.1064549530
 C     -1.5646366778      2.9603445639      1.1662026716
 C     -1.3256046953      3.4062016307     -0.1378697089
 C     -0.7816090861      3.2904177330     -1.2037793579
 C     -0.2215612297      2.8215028470     -2.3289899728
 C      0.4540303350      2.0676777325     -3.0515445082
 C      0.9624072033      0.9149194806     -3.5863606809
 C      1.3607540259     -0.2269887234     -3.6457306674
 C      1.6656429789     -1.5077323169     -3.2364730556
 C      1.6459489126     -2.4708539029     -2.4848227550
 C      1.3654916613     -3.2127211590     -1.3431582259
 C      0.9375476824     -3.6965707421     -0.3170347883
 C      0.3924612555     -3.7101306544      0.9203761927
 C     -0.2551754599     -3.2983802928      1.8638758964
18
# ORCA AIMD Position Step 1717, t=1717.00 fs, E_Pot=-685.23715626 Hartree, Unit is Angstrom
 C     -0.6196687712     -2.3935226470      2.8146079561
 C     -0.8160735062     -1.3272854105      3.3250831120
 C     -1.0691843654      0.0251278642      3.3876138276
 C     -1.3433295764      1.0944864429      2.9100721060
 C     -1.5242126712      2.1957141507      2.1026829546
 C     -1.5598098727      2.9513092557      1.1703472928
 C     -1.3216169690      3.4080042697     -0.1322725995
 C     -0.7750391114      3.2874649836     -1.2016695215
 C     -0.2173959765      2.8218105507     -2.3295532517
 C      0.4580093359      2.0659239921     -3.0476742633
 C      0.9633641345      0.9241316509     -3.5864633806
 C      1.3618664437     -0.2198567966     -3.6533963502
 C      1.6665411540     -1.5044902046     -3.2411412015
 C      1.6458027282     -2.4727169475     -2.4885491528
 C      1.3613878792     -3.2114605812     -1.3437615013
 C      0.9290596531     -3.6927541088     -0.3191152376
 C      0.3886804029     -3.7089557267      0.9182091246
 C     -0.2531147050     -3.2966763651      1.8650124074
18
# ORCA AIMD Position Step 1718, t=1718.00 fs, E_Pot=-685.23762139 Hartree, Unit is Angstrom
 C     -0.6239384446     -2.4000481472      2.8147860804
 C     -0.8267064419     -1.3297752178      3.3201478094
 C     -1.0684912162      0.0158377398      3.3838907895
 C     -1.3457430122      1.0975843084      2.9212535097
 C     -1.5175932623      2.1956369926      2.1001702720
 C     -1.5547419894      2.9431878338      1.1724809380
 C     -1.3178677264      3.4092949050     -0.1246936502
 C     -0.7687207245      3.2847701070     -1.2000258886
 C     -0.2116543420      2.8208108612     -2.3314503104
 C      0.4606816491      2.0650478304     -3.0430291473
 C      0.9643627397      0.9337056282     -3.5863761959
 C      1.3633697350     -0.2137200784     -3.6607603625
 C      1.6670215086     -1.5011307105     -3.2454314262
 C      1.6453490303     -2.4743459921     -2.4916941909
 C      1.3576827070     -3.2098850033     -1.3458648861
 C      0.9207723805     -3.6887476184     -0.3212332850
 C      0.3843756411     -3.7078221237      0.9160594775
 C     -0.2505256200     -3.2949367937      1.8665416068
18
# ORCA AIMD Position Step 1719, t=1719.00 fs, E_Pot=-685.23827399 Hartree, Unit is Angstrom
 C     -0.6280505732     -2.4074930135      2.8145392782
 C     -0.8376752413     -1.3309611322      3.3156457363
 C     -1.0679115830      0.0058259460      3.3800752748
 C     -1.3482566489      1.1018561090      2.9319474151
 C     -1.5109234093      2.1939043731      2.0996526042
 C     -1.5494528223      2.9364634298      1.1720775113
 C     -1.3141032882      3.4100119701     -0.1157199266
 C     -0.7628600298      3.2823649874     -1.1984453740
 C     -0.2046097456      2.8187966782     -2.3343141477
 C      0.4621658247      2.0650305055     -3.0377791702
 C      0.9655987503      0.9431391569     -3.5862189354
 C      1.3652023147     -0.2084602126     -3.6677420551
 C      1.6670559668     -1.4977894736     -3.2492015647
 C      1.6445794238     -2.4754711696     -2.4944409580
 C      1.3543651824     -3.2080011021     -1.3494553109
 C      0.9127316549     -3.6845487581     -0.3234510064
 C      0.3795750367     -3.7067441573      0.9139185903
 C     -0.2474346663     -3.2932450110      1.8684131939
18
# ORCA AIMD Position Step 1720, t=1720.00 fs, E_Pot=-685.23867491 Hartree, Unit is Angstrom
 C     -0.6320941616     -2.4154392486      2.8141133042
 C     -0.8488363096     -1.3314454264      3.3114257563
 C     -1.0676656358     -0.0040459738      3.3759980615
 C     -1.3507136433      1.1067738617      2.9422628070
 C     -1.5042169059      2.1902793239      2.1014718580
 C     -1.5439721145      2.9313085442      1.1690538019
 C     -1.3100323003      3.4101186333     -0.1060782870
 C     -0.7576463410      3.2802646166     -1.1965570945
 C     -0.1967130169      2.8162501654     -2.3375568839
 C      0.4627405694      2.0656450271     -3.0322637503
 C      0.9672666139      0.9519233435     -3.5861013426
 C      1.3672759552     -0.2038810923     -3.6742594502
 C      1.6666259914     -1.4945827382     -3.2523381640
 C      1.6434934137     -2.4758505128     -2.4969702803
 C      1.3513828031     -3.2058664942     -1.3544016108
 C      0.9050020443     -3.6801243902     -0.3258816412
 C      0.3743422788     -3.7057473955      0.9117212787
 C     -0.2438830126     -3.2916813635      1.8705872914
18
# ORCA AIMD Position Step 1721, t=1721.00 fs, E_Pot=-685.23840065 Hartree, Unit is Angstrom
 C     -0.6361792492     -2.4233967334      2.8137904782
 C     -0.8600338263     -1.3319203679      3.3073031200
 C     -1.0679663256     -0.0129126373      3.3715139343
 C     -1.3529547969      1.1117546051      2.9523401123
 C     -1.4975083602      2.1849177196      2.1055061634
 C     -1.5383331505      2.9275329069      1.1638332124
 C     -1.3053705028      3.4096137353     -0.0965361978
 C     -0.7532141840      3.2784638378     -1.1940903095
 C     -0.1885416087      2.8137898135     -2.3404370487
 C      0.4628117593      2.0664934398     -3.0269495080
 C      0.9695354234      0.9596098869     -3.5861142698
 C      1.3694979525     -0.1997719593     -3.6802337207
 C      1.6657214240     -1.4915789063     -3.2547739861
 C      1.6420963048     -2.4752934015     -2.4994411804
 C      1.3486474032     -3.2035777420     -1.3604834362
 C      0.8976577643     -3.6754183454     -0.3286723060
 C      0.3687678292     -3.7048640229      0.9093558897
 C     -0.2399209369     -3.2903181051      1.8730352911
18
# ORCA AIMD Position Step 1722, t=1722.00 fs, E_Pot=-685.23743199 Hartree, Unit is Angstrom
 C     -0.6404161680     -2.4309047320      2.8138353013
 C     -0.8711287358     -1.3330269704      3.3031047200
 C     -1.0689882661     -0.0200523308      3.3665314442
 C     -1.3548447950      1.1162678715      2.9623135488
 C     -1.4908466538      2.1783055878      2.1112328682
 C     -1.5325711130      2.9246372257      1.1572715158
 C     -1.2998756213      3.4085355843     -0.0878124536
 C     -0.7496223694      3.2769395515     -1.1909116525
 C     -0.1807135639      2.8120801373     -2.3421651246
 C      0.4628433143      2.0670882180     -3.0223543619
 C      0.9725314808      0.9658602156     -3.5863245094
 C      1.3717919468     -0.1959615853     -3.6855951351
 C      1.6643390489     -1.4887809357     -3.2564987075
 C      1.6403962715     -2.4736765507     -2.5019747787
 C      1.3460482557     -3.2012519865     -1.3674284592
 C      0.8907711708     -3.6703621844     -0.3319822703
 C      0.3629537775     -3.7041251504      0.9066834086
 C     -0.2356008504     -3.2892177905      1.8757362384
18
# ORCA AIMD Position Step 1723, t=1723.00 fs, E_Pot=-685.23633557 Hartree, Unit is Angstrom
 C     -0.6448973304     -2.4376069368      2.8144539506
 C     -0.8820199384     -1.3352369429      3.2987029880
 C     -1.0708476679     -0.0249969822      3.3610251082
 C     -1.3562883723      1.1199113859      2.9722832473
 C     -1.4842860626      2.1711206894      2.1178874999
 C     -1.5267237559      2.9219460192      1.1504771996
 C     -1.2933721180      3.4069567867     -0.0805027584
 C     -0.7468506563      3.2756578402     -1.1870319461
 C     -0.1737747994      2.8117090342     -2.3420401049
 C      0.4632565546      2.0669742206     -3.0189401628
 C      0.9763297350      0.9704690853     -3.5867746657
 C      1.3741120851     -0.1923572928     -3.6902872414
 C      1.6624806505     -1.4861227368     -3.2575596705
 C      1.6384024766     -2.4709497535     -2.5046457088
 C      1.3434674102     -3.1990096036     -1.3749510479
 C      0.8844034727     -3.6648869554     -0.3359599873
 C      0.3569976907     -3.7035521538      0.9035641266
 C     -0.2309679426     -3.2884351885      1.8786665893
18
# ORCA AIMD Position Step 1724, t=1724.00 fs, E_Pot=-685.23594655 Hartree, Unit is Angstrom
 C     -0.6496819628     -2.4432902310      2.8157710673
 C     -0.8926521872     -1.3387786232      3.2940364399
 C     -1.0735946923     -0.0275880426      3.3550352610
 C     -1.3572361214      1.1224506338      2.9822959633
 C     -1.4778804469      2.1640853335      2.1246421370
 C     -1.5208305248      2.9187583643      1.1445992244
 C     -1.2857709429      3.4049712878     -0.0750178251
 C     -0.7448091827      3.2745822168     -1.1825933126
 C     -0.1680855201      2.8130552387     -2.3395890393
 C      0.4643219685      2.0658656503     -3.0169980431
 C      0.9809517067      0.9733658564     -3.5874866151
 C      1.3764491910     -0.1889651326     -3.6942691179
 C      1.6601530498     -1.4834783191     -3.2580557324
 C      1.6361240093     -2.4671349511     -2.5074776018
 C      1.3407931455     -3.1969594432     -1.3827834563
 C      0.8786008745     -3.6589362796     -0.3407235341
 C      0.3509794562     -3.7031485854      0.8998863700
 C     -0.2260534733     -3.2880226449      1.8817865838
18
# ORCA AIMD Position Step 1725, t=1725.00 fs, E_Pot=-685.23675943 Hartree, Unit is Angstrom
 C     -0.6547854071     -2.4478957712      2.8178198048
 C     -0.9030115789     -1.3436097945      3.2891186219
 C     -1.0772128588     -0.0279837038      3.3486631865
 C     -1.3576840667      1.1238342742      2.9923313288
 C     -1.4716832885      2.1578518112      2.1307483742
 C     -1.5149292111      2.9144733412      1.1406381726
 C     -1.2770867413      3.4026762040     -0.0715297485
 C     -0.7433533623      3.2736817250     -1.1778458017
 C     -0.1637408595      2.8161881152     -2.3346750227
 C      0.4660807876      2.0637506084     -3.0165635647
 C      0.9863656440      0.9746044171     -3.5884656117
 C      1.3788289095     -0.1858916629     -3.6975170849
 C      1.6573712186     -1.4806798321     -3.2581250961
 C      1.6335712960     -2.4623223432     -2.5104436276
 C      1.3379338165     -3.1951882988     -1.3906967459
 C      0.8733921279     -3.6524803858     -0.3463420746
 C      0.3449547663     -3.7028939906      0.8955928523
 C     -0.2208721453     -3.2880348559      1.8850261554
18
# ORCA AIMD Position Step 1726, t=1726.00 fs, E_Pot=-685.23857402 Hartree, Unit is Angstrom
 C     -0.6601737617     -2.4515154817      2.8205400993
 C     -0.9131173649     -1.3494358320      3.2840355274
 C     -1.0816261937     -0.0266279735      3.3420624580
 C     -1.3576711953      1.1241980430      3.0022948446
 C     -1.4657450206      2.1529209091      2.1356379808
 C     -1.5090479215      2.9086793450      1.1393020944
 C     -1.2674483195      3.4001519926     -0.0699293699
 C     -0.7423013095      3.2729359938     -1.1731186679
 C     -0.1605512355      2.8208377830     -2.3275369978
 C      0.4683296636      2.0609179452     -3.0173946645
 C      0.9924881564      0.9743533415     -3.5897019102
 C      1.3813059815     -0.1833255106     -3.7000279388
 C      1.6541617621     -1.4775452564     -3.2579307718
 C      1.6307566503     -2.4566627945     -2.5134722882
 C      1.3348274632     -3.1937520304     -1.3985181447
 C      0.8687853540     -3.6455264945     -0.3528186004
 C      0.3389539992     -3.7027414777      0.8906943714
 C     -0.2154248452     -3.2885282715      1.8882802879
18
# ORCA AIMD Position Step 1727, t=1727.00 fs, E_Pot=-685.24064094 Hartree, Unit is Angstrom
 C     -0.6657666039     -2.4543744235      2.8237913242
 C     -0.9230175629     -1.3557741434      3.2789284646
 C     -1.0867130426     -0.0241817040      3.3354212225
 C     -1.3572748812      1.1238524885      3.0120267221
 C     -1.4601056011      2.1495865395      2.1389893785
 C     -1.5031945817      2.9012030378      1.1409125164
 C     -1.2570893943      3.3974462799     -0.0698170341
 C     -0.7414538806      3.2723363410     -1.1687782844
 C     -0.1580909789      2.8264551459     -2.3187432408
 C      0.4706775312      2.0578922553     -3.0190231027
 C      0.9991936173      0.9728805406     -3.5911723033
 C      1.3839515616     -0.1814961055     -3.7018259598
 C      1.6505652538     -1.4739131885     -3.2576391583
 C      1.6276955425     -2.4503495726     -2.5164641771
 C      1.3314469346     -3.1926688804     -1.4061453497
 C      0.8647589047     -3.6381207650     -0.3600828120
 C      0.3329841536     -3.7026200806      0.8852679862
 C     -0.2097039744     -3.2895570771      1.8914141454
18
# ORCA AIMD Position Step 1728, t=1728.00 fs, E_Pot=-685.24216118 Hartree, Unit is Angstrom
 C     -0.6714469772     -2.4568091508      2.8273656897
 C     -0.9327846110     -1.3620314469      3.2739716028
 C     -1.0923270249     -0.0214394468      3.3289408597
 C     -1.3565998128      1.1232579181      3.0213190171
 C     -1.4547877497      2.1478912221      2.1407816638
 C     -1.4973503896      2.8921350699      1.1453593906
 C     -1.2463227555      3.3945613346     -0.0705366489
 C     -0.7406115537      3.2718892667     -1.1651942886
 C     -0.1558043003      2.8323416727     -2.3090624421
 C      0.4726658762      2.0552806293     -3.0208859915
 C      1.0063202430      0.9705416362     -3.5928294673
 C      1.3868436637     -0.1806366961     -3.7029583351
 C      1.6466307448     -1.4696591774     -3.2574051651
 C      1.6244028009     -2.4435945051     -2.5193054026
 C      1.3278047514     -3.1919105116     -1.4135715123
 C      0.8612517489     -3.6303454727     -0.3679782047
 C      0.3270399277     -3.7024483767      0.8794201175
 C     -0.2037054945     -3.2911557535      1.8942979580
18
# ORCA AIMD Position Step 1729, t=1729.00 fs, E_Pot=-685.24271092 Hartree, Unit is Angstrom
 C     -0.6770797851     -2.4592041568      2.8310257967
 C     -0.9425018800     -1.3676201546      3.2693382206
 C     -1.0983239643     -0.0191989083      3.3228110300
 C     -1.3557600481      1.1229454818      3.0299480355
 C     -1.4497955196      2.1476284613      2.1412997359
 C     -1.4914719225      2.8818101715      1.1521330893
 C     -1.2354913792      3.3914608984     -0.0712910317
 C     -0.7396007684      3.2716125232     -1.1626790158
 C     -0.1531169532      2.8377873562     -2.2993293397
 C      0.4738704647      2.0536466430     -3.0224340205
 C      1.0136919943      0.9677356205     -3.5946118432
 C      1.3900476307     -0.1809186403     -3.7034973804
 C      1.6424188129     -1.4647348536     -3.2573472846
 C      1.6208940692     -2.4365988472     -2.5218932101
 C      1.3239433408     -3.1914129727     -1.4208686543
 C      0.8581640290     -3.6223117281     -0.3762780188
 C      0.3211116453     -3.7021392789      0.8732669472
 C     -0.1974316526     -3.2933380847      1.8968153586
18
# ORCA AIMD Position Step 1730, t=1730.00 fs, E_Pot=-685.24237606 Hartree, Unit is Angstrom
 C     -0.6825266828     -2.4619304618      2.8345359893
 C     -0.9522478905     -1.3720488605      3.2651716632
 C     -1.1045832881     -0.0181513559      3.3171888360
 C     -1.3548601301      1.1234282596      3.0377044762
 C     -1.4451146279      2.1483595969      2.1411192212
 C     -1.4855010171      2.8707796082      1.1603857181
 C     -1.2249185564      3.3880764398     -0.0712700038
 C     -0.7382989708      3.2715387393     -1.1614435760
 C     -0.1495283308      2.8421810417     -2.2903149140
 C      0.4739923077      2.0533821012     -3.0232434086
 C      1.0211249647      0.9648818108     -3.5964330362
 C      1.3936038109     -0.1824091612     -3.7035336080
 C      1.6379966701     -1.4591793662     -3.2575382882
 C      1.6171820584     -2.4295410997     -2.5241432956
 C      1.3199330951     -3.1910768073     -1.4281827125
 C      0.8553604787     -3.6141506167     -0.3846925571
 C      0.3152026649     -3.7016147955      0.8668967206
 C     -0.1909070296     -3.2960847827      1.8988926879
18
# ORCA AIMD Position Step 1731, t=1731.00 fs, E_Pot=-685.24161680 Hartree, Unit is Angstrom
 C     -0.6876681899     -2.4652712022      2.8376980967
 C     -0.9620740565     -1.3750142557      3.2615592405
 C     -1.1110327796     -0.0187536908      3.3121764358
 C     -1.3539708528      1.1250755620      3.0444361506
 C     -1.4407198175      2.1494775853      2.1410413624
 C     -1.4793759031      2.8597478921      1.1690420178
 C     -1.2148558335      3.3843226586     -0.0698046464
 C     -0.7366613543      3.2717175948     -1.1615358682
 C     -0.1446713083      2.8450822128     -2.2826407982
 C      0.4729049055      2.0546475548     -3.0230778019
 C      1.0284428374      0.9623684423     -3.5981898862
 C      1.3975098541     -0.1850181382     -3.7031701478
 C      1.6334404236     -1.4531406974     -3.2579894169
 C      1.6132773156     -2.4225548944     -2.5260069800
 C      1.3158584651     -3.1907877214     -1.4356993481
 C      0.8526870934     -3.6060010942     -0.3929042916
 C      0.3093345991     -3.7008129425      0.8603602914
 C     -0.1841816847     -3.2993452122      1.9005067064
18
# ORCA AIMD Position Step 1732, t=1732.00 fs, E_Pot=-685.24096496 Hartree, Unit is Angstrom
 C     -0.6924187322     -2.4693679947      2.8403722185
 C     -0.9719866031     -1.3764588388      3.2585156526
 C     -1.1176599150     -0.0211476445      3.3078107727
 C     -1.3531139069      1.1280166097      3.0500763531
 C     -1.4365804844      2.1503042783      2.1419765458
 C     -1.4730446915      2.8494826017      1.1769491368
 C     -1.2054430695      3.3801094732     -0.0664936296
 C     -0.7347318185      3.2722104572     -1.1628103957
 C     -0.1383525124      2.8462661334     -2.2767066775
 C      0.4706718497      2.0573488916     -3.0219159726
 C      1.0354866740      0.9605148842     -3.5997685336
 C      1.4017120838     -0.1884709162     -3.7025198254
 C      1.6288339798     -1.4468696759     -3.2586562968
 C      1.6091926439     -2.4157320270     -2.5274722684
 C      1.3118007206     -3.1904357531     -1.4435989253
 C      0.8499906257     -3.5979971189     -0.4006060704
 C      0.3035500924     -3.6996893027      0.8536678023
 C     -0.1773347454     -3.3030372829      1.9016883156
18
# ORCA AIMD Position Step 1733, t=1733.00 fs, E_Pot=-685.24075413 Hartree, Unit is Angstrom
 C     -0.6967336511     -2.4741952739      2.8424871626
 C     -0.9819382555     -1.3765844340      3.2559813179
 C     -1.1245086811     -0.0251388463      3.3040684081
 C     -1.3522626286      1.1320928487      3.0546612786
 C     -1.4326693286      2.1502361702      2.1447559859
 C     -1.4664719420      2.8406814132      1.1830788439
 C     -1.1966938120      3.3753564460     -0.0612657683
 C     -0.7326288582      3.2730810443     -1.1649434097
 C     -0.1305770012      2.8457424159     -2.2726462336
 C      0.4675361069      2.0611518780     -3.0199515380
 C      1.0421258574      0.9595432398     -3.6010553428
 C      1.4061084693     -0.1923167874     -3.7016999904
 C      1.6242665447     -1.4406980345     -3.2594517445
 C      1.6049430451     -2.4091286406     -2.5285615655
 C      1.3078206576     -3.1899362946     -1.4520071704
 C      0.8471400034     -3.5902539261     -0.4075436909
 C      0.2979087506     -3.6982182905      0.8467966828
 C     -0.1704693452     -3.3070534046      1.9025142351
18
# ORCA AIMD Position Step 1734, t=1734.00 fs, E_Pot=-685.24090445 Hartree, Unit is Angstrom
 C     -0.7006091072     -2.4795742385      2.8440353322
 C     -0.9918292920     -1.3758200656      3.2538345851
 C     -1.1316638904     -0.0302461860      3.3008822842
 C     -1.3513516598      1.1368747022      3.0583289114
 C     -1.4289708361      2.1489072170      2.1499166719
 C     -1.4596421233      2.8338209724      1.1867507347
 C     -1.1885083716      3.3700090771     -0.0543753935
 C     -0.7305169782      3.2743841043     -1.1674866145
 C     -0.1215490978      2.8437513326     -2.2703137300
 C      0.4638969712      2.0655182079     -3.0175738556
 C      1.0482610345      0.9595693555     -3.6019465028
 C      1.4105579691     -0.1959683137     -3.7008276706
 C      1.6198299846     -1.4349989733     -3.2602687727
 C      1.6005489927     -2.4027786258     -2.5293226122
 C      1.3039429983     -3.1892493251     -1.4609526790
 C      0.8440461598     -3.5828559588     -0.4135553545
 C      0.2924774029     -3.6963891468      0.8397135827
 C     -0.1637041478     -3.3112707484      1.9030876216
18
# ORCA AIMD Position Step 1735, t=1735.00 fs, E_Pot=-685.24093510 Hartree, Unit is Angstrom
 C     -0.7040698103     -2.4852287031      2.8450469882
 C     -1.0015254747     -1.3747350605      3.2519176166
 C     -1.1392262100     -0.0358240339      3.2981655096
 C     -1.3502989476      1.1417468422      3.0612985758
 C     -1.4254853433      2.1463082721      2.1575332370
 C     -1.4525576076      2.8290415374      1.1878012513
 C     -1.1807040665      3.3640483667     -0.0463395626
 C     -0.7285649776      3.2761509313     -1.1699484584
 C     -0.1116583283      2.8407473786     -2.2692878020
 C      0.4602761613      2.0697543832     -3.0153358831
 C      1.0538201162      0.9606191102     -3.6023541674
 C      1.4149045065     -0.1987838495     -3.7000137379
 C      1.6156119261     -1.4301256422     -3.2610076152
 C      1.5960355366     -2.3967132803     -2.5298130277
 C      1.3001471341     -3.1883869625     -1.4703489127
 C      0.8406716086     -3.5758478558     -0.4185963280
 C      0.2873203688     -3.6942007675      0.8323905064
 C     -0.1571644280     -3.3155578316      1.9035262878
18
# ORCA AIMD Position Step 1736, t=1736.00 fs, E_Pot=-685.24032123 Hartree, Unit is Angstrom
 C     -0.7071567657     -2.4908469073      2.8455692527
 C     -1.0108815512     -1.3739404010      3.2500634465
 C     -1.1472890778     -0.0412088741      3.2958359326
 C     -1.3490271167      1.1460219709      3.0638440427
 C     -1.4222260433      2.1428128192      2.1671758348
 C     -1.4452380301      2.8261180389      1.1866246863
 C     -1.1730544649      3.3574988675     -0.0378323791
 C     -0.7269057622      3.2783804421     -1.1718807444
 C     -0.1014208645      2.8373350622     -2.2689415339
 C      0.4572486082      2.0731007216     -3.0138803789
 C      1.0587616273      0.9626478524     -3.6022170035
 C      1.4189991854     -0.2001552578     -3.6993526347
 C      1.6116871329     -1.4263484512     -3.2616057631
 C      1.5914302764     -2.3909762280     -2.5300847179
 C      1.2963656379     -3.1874148434     -1.4799951622
 C      0.8370350944     -3.5692305577     -0.4227533574
 C      0.2824837224     -3.6916559810      0.8248307325
 C     -0.1509673194     -3.3197880254      1.9039393827
18
# ORCA AIMD Position Step 1737, t=1737.00 fs, E_Pot=-685.23902999 Hartree, Unit is Angstrom
 C     -0.7099118107     -2.4961465828      2.8456420113
 C     -1.0197672728     -1.3739832983      3.2481201091
 C     -1.1559220357     -0.0458587117      3.2938338160
 C     -1.3474797393      1.1490598613      3.0662540651
 C     -1.4192091061      2.1390795704      2.1780299888
 C     -1.4377209576      2.8245413637      1.1840619807
 C     -1.1653286919      3.3504279027     -0.0295708335
 C     -0.7256059551      3.2810368879     -1.1729548177
 C     -0.0913896156      2.8341622176     -2.2685578107
 C      0.4553532836      2.0748530790     -3.0138327629
 C      1.0630706511      0.9655710962     -3.6015047150
 C      1.4227273682     -0.1996107043     -3.6989096235
 C      1.6081091117     -1.4237906239     -3.2620667394
 C      1.5867595227     -2.3856333657     -2.5301713878
 C      1.2924927786     -3.1864410438     -1.4896044803
 C      0.8332006761     -3.5629677109     -0.4262237276
 C      0.2779859721     -3.6887542114      0.8170825330
 C     -0.1452107844     -3.3238498181      1.9044094000
18
# ORCA AIMD Position Step 1738, t=1738.00 fs, E_Pot=-685.23765779 Hartree, Unit is Angstrom
 C     -0.7123659635     -2.5009156412      2.8452842084
 C     -1.0280848091     -1.3752683910      3.2459678916
 C     -1.1651599771     -0.0494504310      3.2921313818
 C     -1.3456319407      1.1503626468      3.0687891808
 C     -1.4164450681      2.1358852667      2.1891131698
 C     -1.4300601663      2.8236655627      1.1811865196
 C     -1.1573238938      3.3429386420     -0.0222159171
 C     -0.7246575993      3.2840549393     -1.1729966255
 C     -0.0820438060      2.8317845400     -2.2674847697
 C      0.4549925162      2.0745038867     -3.0156697116
 C      1.0667549760      0.9692888726     -3.6002205490
 C      1.4260248252     -0.1968888966     -3.6987121119
 C      1.6049066742     -1.4223931129     -3.2624744676
 C      1.5820474016     -2.3807752603     -2.5300837234
 C      1.2884006121     -3.1855991669     -1.4988451415
 C      0.8292606472     -3.5570001554     -0.4292753923
 C      0.2738147677     -3.6854876643      0.8092498877
 C     -0.1399677994     -3.3276552771      1.9049752697
18
# ORCA AIMD Position Step 1739, t=1739.00 fs, E_Pot=-685.23700356 Hartree, Unit is Angstrom
 C     -0.7145332420     -2.5050263527      2.8444902724
 C     -1.0357745815     -1.3780163743      3.2435290888
 C     -1.1749977363     -0.0519255155      3.2907356061
 C     -1.3434931112      1.1496428533      3.0716407875
 C     -1.4139338175      2.1339590010      2.1994896639
 C     -1.4223213671      2.8228533174      1.1790774420
 C     -1.1488941702      3.3351559176     -0.0162911472
 C     -0.7239833132      3.2873481991     -1.1719928107
 C     -0.0736907544      2.8305326762     -2.2652938193
 C      0.4563390935      2.0718751826     -3.0195890989
 C      1.0698447766      0.9736954128     -3.5984054841
 C      1.4288836265     -0.1919737363     -3.6987481693
 C      1.6020854546     -1.4219185215     -3.2629858890
 C      1.5773162881     -2.3765097991     -2.5298157166
 C      1.2839602153     -3.1850298335     -1.5073829323
 C      0.8253176639     -3.5512644479     -0.4321988716
 C      0.2699295525     -3.6818403650      0.8014975311
 C     -0.1352843552     -3.3311443295      1.9056216790
18
# ORCA AIMD Position Step 1740, t=1740.00 fs, E_Pot=-685.23741540 Hartree, Unit is Angstrom
 C     -0.7164094333     -2.5084304221      2.8432354026
 C     -1.0428122562     -1.3822580345      3.2407718428
 C     -1.1853860426     -0.0534861391      3.2896850608
 C     -1.3411062231      1.1468664594      3.0748960788
 C     -1.4116629593      2.1338523442      2.2084264751
 C     -1.4145766393      2.8215842889      1.1786393356
 C     -1.1399739415      3.3272105680     -0.0121198727
 C     -0.7234499827      3.2908179776     -1.1700784802
 C     -0.0664106579      2.8304320155     -2.2618853576
 C      0.4592815975      2.0672040401     -3.0254260900
 C      1.0723951742      0.9786733320     -3.5961435240
 C      1.4313473948     -0.1850920451     -3.6989733137
 C      1.5996337875     -1.4219933201     -3.2638032207
 C      1.5725912528     -2.3729423617     -2.5293612488
 C      1.2790637978     -3.1848622480     -1.5149180855
 C      0.8214672427     -3.5457138617     -0.4352580752
 C      0.2662707462     -3.6777920084      0.7940481547
 C     -0.1311825516     -3.3342855383      1.9062753256
18
# ORCA AIMD Position Step 1741, t=1741.00 fs, E_Pot=-685.23851585 Hartree, Unit is Angstrom
 C     -0.7179762015     -2.5111482978      2.8414847756
 C     -1.0492049161     -1.3878547123      3.2377085044
 C     -1.1962345727     -0.0545534845      3.2890392688
 C     -1.3385454760      1.1422672132      3.0785186024
 C     -1.4096099961      2.1358524849      2.2154908379
 C     -1.4068913035      2.8195268799      1.1804771414
 C     -1.1305880875      3.3192211186     -0.0097827381
 C     -0.7228864910      3.2943605146     -1.1675122433
 C     -0.0600658430      2.8312064673     -2.2574986380
 C      0.4634351300      2.0611392657     -3.0326550595
 C      1.0744922419      0.9840798525     -3.5935655278
 C      1.4335024079     -0.1766776583     -3.6993230875
 C      1.5975290981     -1.4221825482     -3.2651318952
 C      1.5679012698     -2.3701445050     -2.5287376140
 C      1.2736419949     -3.1851949446     -1.5212229313
 C      0.8177820204     -3.5403321933     -0.4386448209
 C      0.2627694847     -3.6733242249      0.7871613167
 C     -0.1276618772     -3.3370750180      1.9068129426
18
# ORCA AIMD Position Step 1742, t=1742.00 fs, E_Pot=-685.23952338 Hartree, Unit is Angstrom
 C     -0.7192055833     -2.5132598179      2.8392015494
 C     -1.0549921374     -1.3945411493      3.2343894940
 C     -1.2074290127     -0.0556945140      3.2888684338
 C     -1.3359053810      1.1363197009      3.0823560878
 C     -1.4077407165      2.1399494690      2.2205998034
 C     -1.3993072177      2.8165703991      1.1848129282
 C     -1.1208480802      3.3112697635     -0.0090961917
 C     -0.7221005582      3.2978752263     -1.1646463465
 C     -0.0543621049      2.8323683752     -2.2526283640
 C      0.4682148930      2.0546391222     -3.0404866298
 C      1.0762593950      0.9897371917     -3.5908458468
 C      1.4354650179     -0.1672999310     -3.6997285984
 C      1.5957414627     -1.4220777056     -3.2671300619
 C      1.5632771899     -2.3681191501     -2.5280099535
 C      1.2676754495     -3.1860828069     -1.5261791676
 C      0.8142933399     -3.5351395051     -0.4424450143
 C      0.2593600793     -3.6684246181      0.7810968946
 C     -0.1247041856     -3.3395329462      1.9070808439
18
# ORCA AIMD Position Step 1743, t=1743.00 fs, E_Pot=-685.23976843 Hartree, Unit is Angstrom
 C     -0.7200649949     -2.5148958986      2.8363498018
 C     -1.0602435498     -1.4019760723      3.2308936475
 C     -1.2188534264     -0.0575282382      3.2892387914
 C     -1.3332878024      1.1296591631      3.0861729204
 C     -1.4060149425      2.1458420666      2.2240257154
 C     -1.3918284346      2.8128350943      1.1914624801
 C     -1.1109288315      3.3033889906     -0.0096413686
 C     -0.7208945106      3.3012724710     -1.1618864112
 C     -0.0489420850      2.8333566579     -2.2478785090
 C      0.4729518402      2.0488012300     -3.0480264084
 C      1.0778542094      0.9954356651     -3.5881890509
 C      1.4373674501     -0.1575785625     -3.7001302451
 C      1.5942366987     -1.4213751145     -3.2698711445
 C      1.5587479769     -2.3667778678     -2.5273051298
 C      1.2611961342     -3.1875262930     -1.5298042474
 C      0.8109792223     -3.5301914612     -0.4466155432
 C      0.2559904745     -3.6630900752      0.7760680137
 C     -0.1222794816     -3.3416941075      1.9069257777
18
# ORCA AIMD Position Step 1744, t=1744.00 fs, E_Pot=-685.23909104 Hartree, Unit is Angstrom
 C     -0.7205186061     -2.5162266183      2.8328957866
 C     -1.0650536903     -1.4097912903      3.2273177407
 C     -1.2304099124     -0.0606204687      3.2902009486
 C     -1.3307877336      1.1229635663      3.0896995455
 C     -1.4043914330      2.1529861617      2.2263586540
 C     -1.3844194260      2.8086508154      1.1998654181
 C     -1.1010368063      3.2955618802     -0.0108397573
 C     -0.7190802879      3.3044775945     -1.1596462458
 C     -0.0434734313      2.8336667496     -2.2438205260
 C      0.4770067085      2.0446835169     -3.0544331057
 C      1.0794539244      1.0009543691     -3.5858085790
 C      1.4393425927     -0.1481070214     -3.7004856229
 C      1.5929800145     -1.4199199281     -3.2733264751
 C      1.5543373153     -2.3659411741     -2.5268106696
 C      1.2542852882     -3.1894683514     -1.5322581611
 C      0.8077576813     -3.5255767203     -0.4509790664
 C      0.2526355675     -3.6573299881      0.7722021637
 C     -0.1203583700     -3.3435958051      1.9062264885
18
# ORCA AIMD Position Step 1745, t=1745.00 fs, E_Pot=-685.23791599 Hartree, Unit is Angstrom
 C     -0.7205303809     -2.5174444583      2.8288098747
 C     -1.0695312374     -1.4176322974      3.2237663210
 C     -1.2420300217     -0.0653815969      3.2917774582
 C     -1.3284826319      1.1168211541      3.0926845620
 C     -1.4028339353      2.1606690638      2.2284303122
 C     -1.3770122665      2.8045107311      1.2091695252
 C     -1.0913743630      3.2877368853     -0.0120660557
 C     -0.7164949078      3.3074311003     -1.1582948149
 C     -0.0377148802      2.8329403604     -2.2408876370
 C      0.4798677822      2.0431496509     -3.0590435025
 C      1.0812261923      1.0060998320     -3.5838987500
 C      1.4415110634     -0.1393949566     -3.7007721146
 C      1.5919383857     -1.4177140883     -3.2773723357
 C      1.5500618026     -2.3653628575     -2.5267551030
 C      1.2470653701     -3.1917974117     -1.5338308041
 C      0.8044943788     -3.5214094799     -0.4552390761
 C      0.2493063065     -3.6511710167      0.7695154848
 C     -0.1189241577     -3.3452653131      1.9049220944
18
# ORCA AIMD Position Step 1746, t=1746.00 fs, E_Pot=-685.23703270 Hartree, Unit is Angstrom
 C     -0.7200688996     -2.5187405018      2.8240726880
 C     -1.0737859697     -1.4251922056      3.2203424810
 C     -1.2536757226     -0.0719826210      3.2939532873
 C     -1.3264276532      1.1116134349      3.0949381762
 C     -1.4013168648      2.1681083637      2.2311948028
 C     -1.3695217310      2.8009945724      1.2183657427
 C     -1.0821056798      3.2798495901     -0.0127726621
 C     -0.7130166661      3.3100866258     -1.1580970016
 C     -0.0315587508      2.8310187161     -2.2393096029
 C      0.4812265068      2.0447457288     -3.0614608978
 C      1.0832936028      1.0107521546     -3.5826052993
 C      1.4439701856     -0.1318331945     -3.7009845416
 C      1.5910833271     -1.4148925298     -3.2818151460
 C      1.5459298312     -2.3647699942     -2.5273762830
 C      1.2396883997     -3.1943570313     -1.5349071238
 C      0.8010209696     -3.5178175857     -0.4590198346
 C      0.2460528319     -3.6446618385      0.7679046772
 C     -0.1179808276     -3.3467115527      1.9030312583
18
# ORCA AIMD Position Step 1747, t=1747.00 fs, E_Pot=-685.23713684 Hartree, Unit is Angstrom
 C     -0.7191150197     -2.5202754376      2.8186868846
 C     -1.0779141108     -1.4322382224      3.2171385549
 C     -1.2653287654     -0.0803071692      3.2966709279
 C     -1.3246581352      1.1074441775      3.0963592457
 C     -1.3998269510      2.1745751769      2.2355576724
 C     -1.3618656120      2.7986578136      1.2264745262
 C     -1.0733308082      3.2718487203     -0.0126005198
 C     -0.7085828497      3.3124059185     -1.1591593725
 C     -0.0250564661      2.8279719965     -2.2390741321
 C      0.4810275653      2.0496138961     -3.0616129899
 C      1.0857043162      1.0148984964     -3.5820032408
 C      1.4467844254     -0.1256755373     -3.7011302851
 C      1.5903931028     -1.4116809833     -3.2864245490
 C      1.5419429448     -2.3639080258     -2.5288848094
 C      1.2323200602     -3.1969634622     -1.5359121450
 C      0.7971644909     -3.5149257036     -0.4619296996
 C      0.2429621004     -3.6378786992      0.7671581370
 C     -0.1175566613     -3.3479223210      1.9006585793
18
# ORCA AIMD Position Step 1748, t=1748.00 fs, E_Pot=-685.23833177 Hartree, Unit is Angstrom
 C     -0.7176743112     -2.5221488926      2.8126925687
 C     -1.0819839819     -1.4386319045      3.2142271577
 C     -1.2769746182     -0.0899583933      3.2998322224
 C     -1.3231965560      1.1041322497      3.0969444186
 C     -1.3983593044      2.1795283974      2.2421702649
 C     -1.3539875590      2.7979028352      1.2327640183
 C     -1.0650722553      3.2637188086     -0.0114516220
 C     -0.7032037701      3.3143534505     -1.1613943151
 C     -0.0184314120      2.8241143325     -2.2399054135
 C      0.4794930164      2.0574488104     -3.0597826880
 C      1.0884210445      1.0186367998     -3.5820883517
 C      1.4499776589     -0.1210300666     -3.7012237698
 C      1.5898540310     -1.4083476405     -3.2909685311
 C      1.5380966093     -2.3625835365     -2.5314282324
 C      1.2251168947     -3.1994282670     -1.5372415915
 C      0.7927871249     -3.5128329967     -0.4636437037
 C      0.2401487463     -3.6309287171      0.7669822883
 C     -0.1176997404     -3.3488685072      1.8979866605
18
# ORCA AIMD Position Step 1749, t=1749.00 fs, E_Pot=-685.23993629 Hartree, Unit is Angstrom
 C     -0.7157879719     -2.5243757540      2.8061790171
 C     -1.0860287587     -1.4443402612      3.2116524449
 C     -1.2885931698     -0.1003323729      3.3033101431
 C     -1.3220597939      1.1012666682      3.0967807205
 C     -1.3969070877      2.1827282300      2.2512529186
 C     -1.3458730104      2.7988685370      1.2369407624
 C     -1.0572743708      3.2554896117     -0.0095003542
 C     -0.6969634463      3.3158963448     -1.1645215711
 C     -0.0120678765      2.8199940093     -2.2412684798
 C      0.4771077922      2.0675178327     -3.0566013954
 C      1.0913347335      1.0221439022     -3.5827858369
 C      1.4535296241     -0.1178541685     -3.7012815858
 C      1.5894607611     -1.4051526132     -3.2952488809
 C      1.5343772921     -2.3606989382     -2.5350620797
 C      1.2181988099     -3.2015828484     -1.5391886472
 C      0.7878218565     -3.5115889792     -0.4639910271
 C      0.2377369740     -3.6239441427      0.7670419384
 C     -0.1184649702     -3.3495161788      1.8952497505
18
# ORCA AIMD Position Step 1750, t=1750.00 fs, E_Pot=-685.24089126 Hartree, Unit is Angstrom
 C     -0.7135375475     -2.5268783945      2.7992848315
 C     -1.0900491009     -1.4494307185      3.2094248903
 C     -1.3001606117     -0.1107424503      3.3069691952
 C     -1.3212643779      1.0983068386      3.0960215934
 C     -1.3954497898      2.1842785304      2.2625323571
 C     -1.3375519400      2.8013898815      1.2392295803
 C     -1.0498153479      3.2472293755     -0.0071371149
 C     -0.6900040475      3.3170084697     -1.1681135343
 C     -0.0064652255      2.8163405383     -2.2424208698
 C      0.4745541136      2.0787675262     -3.0529811691
 C      1.0943001912      1.0256185610     -3.5839753707
 C      1.4573804519     -0.1159618382     -3.7013189341
 C      1.5892154823     -1.4023002215     -3.2991320226
 C      1.5307587536     -2.3582718791     -2.5397352169
 C      1.2116224825     -3.2033006389     -1.5418922806
 C      0.7822939969     -3.5111768358     -0.4630186388
 C      0.2358382922     -3.6170669465      0.7670131659
 C     -0.1198985495     -3.3498420981      1.8926898615
18
# ORCA AIMD Position Step 1751, t=1751.00 fs, E_Pot=-685.24060596 Hartree, Unit is Angstrom
 C     -0.7110429348     -2.5294965951      2.7921898802
 C     -1.0940223079     -1.4540451889      3.2075243612
 C     -1.3116529831     -0.1205479929      3.3106851568
 C     -1.3208303744      1.0946971590      3.0948523106
 C     -1.3939477044      2.1845676727      2.2753305151
 C     -1.3290900290      2.8050511827      1.2402959574
 C     -1.0425335621      3.2390295425     -0.0048644106
 C     -0.6825019568      3.3176770812     -1.1716676825
 C     -0.0021536648      2.8139495530     -2.2425347272
 C      0.4725959077      2.0900153168     -3.0499701563
 C      1.0971789516      1.0292186942     -3.5855234800
 C      1.4614409656     -0.1150504806     -3.7013486597
 C      1.5891265033     -1.3999055371     -3.3025667870
 C      1.5271997850     -2.3554368910     -2.5452939397
 C      1.2053705276     -3.2045073454     -1.5453229889
 C      0.7763222373     -3.5115121637     -0.4610053159
 C      0.2345298474     -3.6104307189      0.7666381177
 C     -0.1220205920     -3.3498503168      1.8905049935
18
# ORCA AIMD Position Step 1752, t=1752.00 fs, E_Pot=-685.23946104 Hartree, Unit is Angstrom
 C     -0.7084498222     -2.5320128912      2.7851002671
 C     -1.0979166237     -1.4583524581      3.2059109346
 C     -1.3230446525     -0.1292637351      3.3143607024
 C     -1.3207838644      1.0899701406      3.0934517522
 C     -1.3923437709      2.1841420126      2.2887546797
 C     -1.3205702348      2.8093062883      1.2410405184
 C     -1.0352662045      3.2309850227     -0.0031669545
 C     -0.6746459602      3.3179097786     -1.1746778500
 C      0.0004280571      2.8135056618     -2.2408958948
 C      0.4719294103      2.1001897611     -3.0485407465
 C      1.0998687191      1.0330224230     -3.5873094067
 C      1.4656062639     -0.1147462723     -3.7013805233
 C      1.5892071638     -1.3979778784     -3.3055867877
 C      1.5236444275     -2.3524345634     -2.5514964782
 C      1.1993639525     -3.2051731653     -1.5493137386
 C      0.7701002189     -3.5124588777     -0.4584244203
 C      0.2338423355     -3.6041466457      0.7657691574
 C     -0.1248173065     -3.3495806665      1.8888091645
18
# ORCA AIMD Position Step 1753, t=1753.00 fs, E_Pot=-685.23837094 Hartree, Unit is Angstrom
 C     -0.7059195709     -2.5341803593      2.7782382427
 C     -1.1017037587     -1.4625036935      3.2045396894
 C     -1.3343050437     -0.1366125838      3.3179306743
 C     -1.3211570330      1.0838216486      3.0919622688
 C     -1.3905704558      2.1835663545      2.3018943706
 C     -1.3120754425      2.8135994142      1.2423791250
 C     -1.0278850658      3.2231782427     -0.0024003574
 C     -0.6666269385      3.3177435950     -1.1766854039
 C      0.0010660169      2.8153925282     -2.2371352284
 C      0.4730307066      2.1085631139     -3.0493545605
 C      1.1023206437      1.0370095205     -3.5892415499
 C      1.4697660075     -0.1146534213     -3.7014221782
 C      1.5894736637     -1.3964268672     -3.3082961682
 C      1.5200268625     -2.3495832141     -2.5580387149
 C      1.1934866513     -3.2052992669     -1.5536136844
 C      0.7638679310     -3.5138521661     -0.4558717198
 C      0.2337559786     -3.5982984229      0.7643898599
 C     -0.1282319628     -3.3491153192      1.8876040839
18
# ORCA AIMD Position Step 1754, t=1754.00 fs, E_Pot=-685.23788358 Hartree, Unit is Angstrom
 C     -0.7036171099     -2.5357519640      2.7718301384
 C     -1.1053679670     -1.4665960262      3.2033743071
 C     -1.3453920535     -0.1425395713      3.3213598305
 C     -1.3219864045      1.0761573106      3.0904677575
 C     -1.3885595049      2.1833151969      2.3139637411
 C     -1.3036727757      2.8174558430      1.2450687584
 C     -1.0203269755      3.2156696403     -0.0027067522
 C     -0.6586341943      3.3172494687     -1.1773100836
 C     -0.0001350204      2.8195601529     -2.2314015503
 C      0.4760521191      2.1148975562     -3.0525919820
 C      1.1045371778      1.0410731134     -3.5912613013
 C      1.4738161488     -0.1144023289     -3.7014804480
 C      1.5899427713     -1.3950892273     -3.3108424461
 C      1.5162779620     -2.3472401674     -2.5645872798
 C      1.1876166435     -3.2049009072     -1.5579491385
 C      0.7578796710     -3.5155220253     -0.4539793575
 C      0.2342051673     -3.5929437298      0.7626091221
 C     -0.1321641882     -3.3485753250      1.8867777318
18
# ORCA AIMD Position Step 1755, t=1755.00 fs, E_Pot=-685.23778998 Hartree, Unit is Angstrom
 C     -0.7016983266     -2.5365098033      2.7660921809
 C     -1.1089114955     -1.4706551284      3.2023975516
 C     -1.3562518148     -0.1471951058      3.3246402125
 C     -1.3233079840      1.0671101297      3.0889846089
 C     -1.3862499050      2.1837055360      2.3243839649
 C     -1.2954047155      2.8205333456      1.2495972815
 C     -1.0126115569      3.2084911955     -0.0039627491
 C     -0.6508503850      3.3165336515     -1.1762719312
 C     -0.0027410017      2.8255179331     -2.2243927388
 C      0.4808073332      2.1194522308     -3.0579203784
 C      1.1065608382      1.0450489252     -3.5933400302
 C      1.4776684230     -0.1136899945     -3.7015626663
 C      1.5906274929     -1.3937713286     -3.3133805421
 C      1.5123354316     -2.3457466153     -2.5708241616
 C      1.1816504460     -3.2039960129     -1.5620769828
 C      0.7523705688     -3.5173150871     -0.4533248310
 C      0.2350916086     -3.5881178857      0.7606273202
 C     -0.1364755909     -3.3481098244      1.8861230561
18
# ORCA AIMD Position Step 1756, t=1756.00 fs, E_Pot=-685.23755845 Hartree, Unit is Angstrom
 C     -0.7002941724     -2.5362897692      2.7612114616
 C     -1.1123603598     -1.4746362817      3.2016159989
 C     -1.3668246339     -0.1508916311      3.3277868567
 C     -1.3251546497      1.0570208942      3.0874623019
 C     -1.3835936188      2.1848675751      2.3328236043
 C     -1.2872804545      2.8226402799      1.2561459006
 C     -1.0048394344      3.2016423344     -0.0057781979
 C     -0.6434377787      3.3157307380     -1.1734106213
 C     -0.0060753745      2.8324661406     -2.2172115197
 C      0.4868499228      2.1228553038     -3.0646205526
 C      1.1084603417      1.0487536552     -3.5954742843
 C      1.4812589009     -0.1123072601     -3.7016780348
 C      1.5915338381     -1.3923050620     -3.3160312694
 C      1.5081501717     -2.3453649564     -2.5764993730
 C      1.1755189448     -3.2025986019     -1.5658239248
 C      0.7475244247     -3.5191113639     -0.4543565830
 C      0.2363037124     -3.5838374035      0.7586850383
 C     -0.1410073539     -3.3478790730      1.8853765623
18
# ORCA AIMD Position Step 1757, t=1757.00 fs, E_Pot=-685.23697529 Hartree, Unit is Angstrom
 C     -0.6994967129     -2.5350046951      2.7573244722
 C     -1.1157641077     -1.4784409367      3.2010605096
 C     -1.3770582715     -0.1540433082      3.3308343221
 C     -1.3275520598      1.0463862540      3.0857984905
 C     -1.3805585939      2.1867505521      2.3391985544
 C     -1.2792754544      2.8237302862      1.2646105452
 C     -0.9971736590      3.1950911452     -0.0075456586
 C     -0.6365131269      3.3149850964     -1.1687039229
 C     -0.0093696376      2.8395007760     -2.2111121368
 C      0.4936091775      2.1259034705     -3.0718027817
 C      1.1103137824      1.0520230663     -3.5976787765
 C      1.4845530932     -0.1101426435     -3.7018384942
 C      1.5926574226     -1.3906034717     -3.3188456077
 C      1.5036929037     -2.3462240511     -2.5814792746
 C      1.1691910387     -3.2007170108     -1.5691078076
 C      0.7434499735     -3.5208347776     -0.4573396673
 C      0.2377381313     -3.5801040616      0.7570022614
 C     -0.1456034266     -3.3480312647      1.8842677191
18
# ORCA AIMD Position Step 1758, t=1758.00 fs, E_Pot=-685.23634336 Hartree, Unit is Angstrom
 C     -0.6993469122     -2.5326629807      2.7544988563
 C     -1.1191950298     -1.4819292063      3.2007858837
 C     -1.3869132536     -0.1570962936      3.3338279185
 C     -1.3305169798      1.0357869427      3.0838589550
 C     -1.3771312991      2.1891451240      2.3436496012
 C     -1.2713381238      2.8238812753      1.2746604435
 C     -0.9898135865      3.1887851221     -0.0085258558
 C     -0.6301189676      3.3144216513     -1.1622928392
 C     -0.0119187995      2.8458051787     -2.2072412941
 C      0.5005223438      2.1293710033     -3.0786095701
 C      1.1121905663      1.0547482437     -3.5999766996
 C      1.4875449586     -0.1071771275     -3.7020570471
 C      1.5939826111     -1.3886932362     -3.3217877863
 C      1.4989589724     -2.3482887216     -2.5857731049
 C      1.1626736870     -3.1983554011     -1.5719414898
 C      0.7401679672     -3.5224595056     -0.4623258023
 C      0.2393225860     -3.5769118429      0.7557208932
 C     -0.1501364205     -3.3486783630      1.8825735025
18
# ORCA AIMD Position Step 1759, t=1759.00 fs, E_Pot=-685.23619960 Hartree, Unit is Angstrom
 C     -0.6998294149     -2.5293756960      2.7527261306
 C     -1.1227355204     -1.4849555629      3.2008627664
 C     -1.3963677597     -0.1604380314      3.3368168322
 C     -1.3340570119      1.0257974728      3.0815126187
 C     -1.3733204819      2.1917215747      2.3465032357
 C     -1.2634025454      2.8232791159      1.2857908060
 C     -0.9829613953      3.1826634795     -0.0079582328
 C     -0.6242139066      3.3141233991     -1.1544745042
 C     -0.0131874699      2.8507697835     -2.2064577129
 C      0.5071202084      2.1338836051     -3.0843468222
 C      1.1141388778      1.0568912763     -3.6023899517
 C      1.4902514682     -0.1034708592     -3.7023472576
 C      1.5954800271     -1.3867265421     -3.3247295799
 C      1.4939742072     -2.3513501138     -2.5895390494
 C      1.1560093880     -3.1955181738     -1.5744240667
 C      0.7376126967     -3.5240074145     -0.4691469310
 C      0.2410235291     -3.5742537257      0.7548771118
 C     -0.1545201616     -3.3498762323      1.8801500939
18
# ORCA AIMD Position Step 1760, t=1760.00 fs, E_Pot=-685.23690143 Hartree, Unit is Angstrom
 C     -0.7008707371     -2.5253605090      2.7519178770
 C     -1.1264721053     -1.4873759743      3.2013740440
 C     -1.4054099751     -0.1643287793      3.3398392921
 C     -1.3381699785      1.0169115751      3.0786548885
 C     -1.3691609471      2.1940598365      2.3482355595
 C     -1.2554016613      2.8221929750      1.2973806785
 C     -0.9767922743      3.1766756414     -0.0051774605
 C     -0.6186705832      3.3141064593     -1.1456890220
 C     -0.0128863329      2.8540657102     -2.2091986923
 C      0.5130861943      2.1398286029     -3.0885661464
 C      1.1161702786      1.0585066732     -3.6049280019
 C      1.4927076094     -0.0991576614     -3.7027204846
 C      1.5971076320     -1.3849481555     -3.3274769415
 C      1.4887954682     -2.3550618010     -2.5930489605
 C      1.1492750532     -3.1922099413     -1.5767306963
 C      0.7356427942     -3.5255429954     -0.4774302926
 C      0.2428519861     -3.5721298082      0.7543833076
 C     -0.1587210396     -3.3516112003      1.8769663016
18
# ORCA AIMD Position Step 1761, t=1761.00 fs, E_Pot=-685.23837592 Hartree, Unit is Angstrom
 C     -0.7023457151     -2.5209277522      2.7519124616
 C     -1.1304853902     -1.4890669272      3.2024054865
 C     -1.4140339775     -0.1688460172      3.3429110384
 C     -1.3428437185      1.0094723910      3.0752303151
 C     -1.3647145410      2.1956917934      2.3494201057
 C     -1.2472784445      2.8209469004      1.3087585644
 C     -0.9714211469      3.1707978108      0.0002698945
 C     -0.6132996882      3.3143090876     -1.1364585208
 C     -0.0110026556      2.8556683888     -2.2154218206
 C      0.5182899379      2.1473068532     -3.0911073625
 C      1.1182512949      1.0597512651     -3.6075786707
 C      1.4949618715     -0.0944394703     -3.7031819606
 C      1.5988138544     -1.3836365228     -3.3298119962
 C      1.4835046774     -2.3589988368     -2.5966369320
 C      1.1425771611     -3.1884366278     -1.5790945197
 C      0.7340605957     -3.5271639382     -0.4866390592
 C      0.2448568991     -3.5705494599      0.7540400656
 C     -0.1627591735     -3.3537973731      1.8731114942
18
# ORCA AIMD Position Step 1762, t=1762.00 fs, E_Pot=-685.24014984 Hartree, Unit is Angstrom
 C     -0.7040936685     -2.5164439273      2.7524946431
 C     -1.1348402134     -1.4899496563      3.2040320240
 C     -1.4222388875     -0.1738608569      3.3460200562
 C     -1.3480607112      1.0036255706      3.0712445932
 C     -1.3600622996      2.1961634494      2.3506557042
 C     -1.2389926312      2.8198733330      1.3192912786
 C     -0.9668726034      3.1650423767      0.0085284984
 C     -0.6078942504      3.3145969241     -1.1272848721
 C     -0.0077925188      2.8558503726     -2.2246115328
 C      0.5228037703      2.1561175977     -3.0921190068
 C      1.1203064064      1.0608747821     -3.6103054849
 C      1.4970716050     -0.0895751438     -3.7037276567
 C      1.6005439299     -1.3830306673     -3.3315426172
 C      1.4781966781     -2.3627315438     -2.6006393294
 C      1.1360373817     -3.1842081660     -1.5817783765
 C      0.7326390419     -3.5289869251     -0.4961425851
 C      0.2471125674     -3.5695290630      0.7535725133
 C     -0.1667009849     -3.3562873637      1.8687764856
18
# ORCA AIMD Position Step 1763, t=1763.00 fs, E_Pot=-685.24156663 Hartree, Unit is Angstrom
 C     -0.7059467318     -2.5122773392      2.7534263420
 C     -1.1395740126     -1.4900178256      3.2063046086
 C     -1.4300330168     -0.1790565844      3.3491275289
 C     -1.3538013641      0.9993078161      3.0667690267
 C     -1.3552911238      2.1951025009      2.3524651878
 C     -1.2305274882      2.8192560606      1.3284936476
 C     -0.9630620794      3.1594648205      0.0193856434
 C     -0.6022762172      3.3147824546     -1.1185398590
 C     -0.0037415488      2.8551470735     -2.2358497054
 C      0.5268995458      2.1657791636     -3.0920503918
 C      1.1222326827      1.0621847413     -3.6130538372
 C      1.4990978848     -0.0848569276     -3.7043424481
 C      1.6022468572     -1.3832647362     -3.3325486667
 C      1.4729630956     -2.3658986829     -2.6053368933
 C      1.1297706374     -3.1795418749     -1.5850317429
 C      0.7311568670     -3.5311282292     -0.5053142273
 C      0.2496965243     -3.5690860251      0.7526865308
 C     -0.1706406666     -3.3588960632      1.8642105552
18
# ORCA AIMD Position Step 1764, t=1764.00 fs, E_Pot=-685.24213620 Hartree, Unit is Angstrom
 C     -0.7077583881     -2.5087400585      2.7544825399
 C     -1.1446881796     -1.4893586679      3.2092378065
 C     -1.4374354664     -0.1839862164      3.3521759846
 C     -1.3600478447      0.9962793256      3.0619305832
 C     -1.3504776179      2.1922841144      2.3551996257
 C     -1.2218951759      2.8192709771      1.3361293066
 C     -0.9597999267      3.1541635201      0.0322871114
 C     -0.5963320620      3.3146506242     -1.1103969257
 C      0.0005024937      2.8542866168     -2.2479398575
 C      0.5310139394      2.1755975147     -3.0915976345
 C      1.1239252494      1.0639890870     -3.6157620729
 C      1.5010963442     -0.0805750626     -3.7050000323
 C      1.6038834379     -1.3843230186     -3.3328116378
 C      1.4678771822     -2.3682639943     -2.6109132099
 C      1.1238615027     -3.1744714982     -1.5890394984
 C      0.7294343797     -3.5336815198     -0.5136323960
 C      0.2526680863     -3.5692321568      0.7511330858
 C     -0.1746768976     -3.3614295484      1.8596629414
18
# ORCA AIMD Position Step 1765, t=1765.00 fs, E_Pot=-685.24181287 Hartree, Unit is Angstrom
 C     -0.7094263160     -2.5060431413      2.7554806752
 C     -1.1501436838     -1.4881577822      3.2128036659
 C     -1.4444748395     -0.1881563377      3.3551007155
 C     -1.3667863326      0.9941859925      3.0568972137
 C     -1.3456734428      2.1876729514      2.3589726988
 C     -1.2131417234      2.8199473204      1.3422691930
 C     -0.9568174617      3.1492717492      0.0464147561
 C     -0.5900215466      3.3139870143     -1.1028300514
 C      0.0042239497      2.8540819215     -2.2595765141
 C      0.5356726888      2.1847840658     -3.0915892999
 C      1.1253059991      1.0665272732     -3.6183759523
 C      1.5031067093     -0.0769755144     -3.7056637870
 C      1.6054307010     -1.3860211717     -3.3324270774
 C      1.4629849529     -2.3697480083     -2.6174306891
 C      1.1183444227     -3.1690590432     -1.5938740856
 C      0.7273623529     -3.5366978206     -0.5207630432
 C      0.2560468385     -3.5699667371      0.7487644762
 C     -0.1788880671     -3.3637120909      1.8553270175
18
# ORCA AIMD Position Step 1766, t=1766.00 fs, E_Pot=-685.24107359 Hartree, Unit is Angstrom
 C     -0.7109027249     -2.5042762182      2.7562974391
 C     -1.1558633881     -1.4866836492      3.2169316654
 C     -1.4511850989     -0.1911169784      3.3578434757
 C     -1.3740048616      0.9926317409      3.0518575260
 C     -1.3409003871      2.1814320861      2.3636484154
 C     -1.2043479508      2.8211589748      1.3472884626
 C     -0.9538031273      3.1449466739      0.0608004788
 C     -0.5833677655      3.3125976767     -1.0956707310
 C      0.0067580644      2.8552859182     -2.2695463417
 C      0.5413752947      2.1926209476     -3.0928113530
 C      1.1263493921      1.0699082604     -3.6208617284
 C      1.5051422609     -0.0742194447     -3.7062904526
 C      1.6068859704     -1.3880167643     -3.3315969724
 C      1.4583005577     -2.3704333552     -2.6248294516
 C      1.1131956416     -3.1634047664     -1.5994663056
 C      0.7249153785     -3.5401715503     -0.5266045355
 C      0.2597986425     -3.5712719138      0.7455720706
 C     -0.1833128734     -3.3656054253      1.8513004782
18
# ORCA AIMD Position Step 1767, t=1767.00 fs, E_Pot=-685.24058776 Hartree, Unit is Angstrom
 C     -0.7121966084     -2.5034117880      2.7568707978
 C     -1.1617434297     -1.4852466007      3.2215189307
 C     -1.4575985090     -0.1925517987      3.3603624030
 C     -1.3816901418      0.9912484113      3.0470016918
 C     -1.3361529978      2.1738901131      2.3688887621
 C     -1.1956182779      2.8226603911      1.3517758904
 C     -0.9504502336      3.1413475950      0.0744735869
 C     -0.5764334196      3.3103304961     -1.0886893656
 C      0.0076267728      2.8584260559     -2.2769504930
 C      0.5484583217      2.1986351957     -3.0958025124
 C      1.1270934909      1.0740775539     -3.6232137092
 C      1.5071854720     -0.0723596169     -3.7068330980
 C      1.6082656476     -1.3898414611     -3.3306106830
 C      1.4538067453     -2.3705488605     -2.6329336026
 C      1.1083376134     -3.1576464426     -1.6056138795
 C      0.7221517603     -3.5440372047     -0.5312802834
 C      0.2638377863     -3.5731126549      0.7416907433
 C     -0.1879441657     -3.3670142659      1.8475732121
18
# ORCA AIMD Position Step 1768, t=1768.00 fs, E_Pot=-685.24068114 Hartree, Unit is Angstrom
 C     -0.7133587942     -2.5033279113      2.7571908766
 C     -1.1676643442     -1.4841537763      3.2264397252
 C     -1.4637387581     -0.1923357753      3.3626391151
 C     -1.3898237651      0.9897447486      3.0425084975
 C     -1.3314070951      2.1654911168      2.3742345526
 C     -1.1870682966      2.8241426547      1.3564105343
 C     -0.9464950305      3.1386159294      0.0865791677
 C     -0.5692949405      3.3070840086     -1.0816764023
 C      0.0066516751      2.8636705203     -2.2813700101
 C      0.5569688411      2.2027478226     -3.1006792345
 C      1.1276439751      1.0788071267     -3.6254586296
 C      1.5091886336     -0.0713343462     -3.7072484501
 C      1.6096007468     -1.3909617880     -3.3298045780
 C      1.4494633349     -2.3704245459     -2.6414864020
 C      1.1036575365     -3.1519529485     -1.6120103598
 C      0.7191929459     -3.5481796553     -0.5350927664
 C      0.2680230432     -3.5754353533      0.7373798205
 C     -0.1927251208     -3.3678879998      1.8440403832
18
# ORCA AIMD Position Step 1769, t=1769.00 fs, E_Pot=-685.24112415 Hartree, Unit is Angstrom
 C     -0.7144692397     -2.5038408323      2.7572851461
 C     -1.1735079457     -1.4836637012      3.2315604985
 C     -1.4696163232     -0.1905697427      3.3646831424
 C     -1.3983791783      0.9879410097      3.0385316789
 C     -1.3266317081      2.1567276399      2.3791987269
 C     -1.1788044067      2.8253013433      1.3618103830
 C     -0.9417497495      3.1368535627      0.0964987278
 C     -0.5620211333      3.3028138433     -1.0745040454
 C      0.0039964002      2.8707879864     -2.2829168495
 C      0.5666210845      2.2053118818     -3.1070843563
 C      1.1281591564      1.0837299874     -3.6276522942
 C      1.5110830924     -0.0709852109     -3.7075025195
 C      1.6109287923     -1.3908603215     -3.3295092818
 C      1.4452178598     -2.3704261168     -2.6501971363
 C      1.0990294025     -3.1465058650     -1.6183034785
 C      0.7161965525     -3.5524532989     -0.5384450662
 C      0.2721802860     -3.5781730033      0.7329772977
 C     -0.1975630409     -3.3682126058      1.8405339247
18
# ORCA AIMD Position Step 1770, t=1770.00 fs, E_Pot=-685.24142398 Hartree, Unit is Angstrom
 C     -0.7156206939     -2.5047386557      2.7572024341
 C     -1.1791719448     -1.4839553845      3.2367538389
 C     -1.4752293018     -0.1875764542      3.3665333230
 C     -1.4073233836      0.9857820557      3.0351885982
 C     -1.3217991336      2.1480722586      2.3833509389
 C     -1.1709012693      2.8258988716      1.3684048819
 C     -0.9361202053      3.1361057047      0.1039326579
 C     -0.5546563949      3.2975298820     -1.0671575094
 C      0.0001097348      2.8792277278     -2.2821394444
 C      0.5768580019      2.2070235659     -3.1142841353
 C      1.1288244826      1.0884038559     -3.6298699678
 C      1.5127930792     -0.0710883052     -3.7075768092
 C      1.6122819521     -1.3891312091     -3.3299886866
 C      1.4410196217     -2.3708725642     -2.6588035105
 C      1.0943359339     -3.1414758070     -1.6241578349
 C      0.7133228010     -3.5567073896     -0.5417542766
 C      0.2761261961     -3.5812517119      0.7288403592
 C     -0.2023474104     -3.3680007645      1.8368611634
18
# ORCA AIMD Position Step 1771, t=1771.00 fs, E_Pot=-685.24126450 Hartree, Unit is Angstrom
 C     -0.7169055947     -2.5058103394      2.7569994226
 C     -1.1845793402     -1.4851169610      3.2419083646
 C     -1.4805676301     -0.1838597537      3.3682556020
 C     -1.4166212628      0.9833303607      3.0325542958
 C     -1.3168921462      2.1399198997      2.3863801519
 C     -1.1633863373      2.8258075977      1.3763541046
 C     -0.9296071842      3.1363536348      0.1089335193
 C     -0.5472114456      3.2912869059     -1.0597384463
 C     -0.0043950106      2.8882737445     -2.2798385366
 C      0.5869844662      2.2087443729     -3.1213593066
 C      1.1298211476      1.0923953992     -3.6321913240
 C      1.5142494909     -0.0713887259     -3.7074735470
 C      1.6136752376     -1.3855695127     -3.3313848469
 C      1.4368338092     -2.3719577659     -2.6671316726
 C      1.0894854151     -3.1370008257     -1.6293089887
 C      0.7107045378     -3.5608105654     -0.5453737595
 C      0.2796923776     -3.5845986362      0.7252847998
 C     -0.2069687745     -3.3672813765      1.8328417287
18
# ORCA AIMD Position Step 1772, t=1772.00 fs, E_Pot=-685.24067330 Hartree, Unit is Angstrom
 C     -0.7184085747     -2.5068689249      2.7567300145
 C     -1.1896810513     -1.4871575951      3.2469347027
 C     -1.4856182920     -0.1800334246      3.3699365368
 C     -1.4262399102      0.9807407817      3.0306630300
 C     -1.3119089818      2.1325474211      2.3881274144
 C     -1.1562335254      2.8250297413      1.3855285221
 C     -0.9222958363      3.1375188118      0.1118782156
 C     -0.5396624057      3.2841748197     -1.0524467969
 C     -0.0088696000      2.8971952891     -2.2768794044
 C      0.5963139706      2.2113135648     -3.1274038454
 C      1.1312912273      1.0953642270     -3.6346820599
 C      1.5154002160     -0.0716280274     -3.7072177581
 C      1.6150972223     -1.3802321375     -3.3336853354
 C      1.4326522482     -2.3736972418     -2.6751324472
 C      1.0844216351     -3.1331716147     -1.6335981228
 C      0.7084289613     -3.5646669877     -0.5495365447
 C      0.2827484557     -3.5881498095      0.7225389901
 C     -0.2113358335     -3.3660868875      1.8283349931
18
# ORCA AIMD Position Step 1773, t=1773.00 fs, E_Pot=-685.23989648 Hartree, Unit is Angstrom
 C     -0.7201988849     -2.5077667517      2.7564372033
 C     -1.1944526920     -1.4900271950      3.2517664692
 C     -1.4903687191     -0.1767338093      3.3716715394
 C     -1.4361498358      0.9782181365      3.0295181273
 C     -1.3068680863      2.1260932166      2.3885954272
 C     -1.1493694221      2.8236955765      1.3955427445
 C     -0.9143324175      3.1394785442      0.1133860082
 C     -0.5319600407      3.2763074973     -1.0455489498
 C     -0.0127299529      2.9053569127     -2.2740489595
 C      0.6042821484      2.2153944767     -3.1316739525
 C      1.1333113626      1.0971323112     -3.6373734753
 C      1.5162149424     -0.0715606618     -3.7068581196
 C      1.6165075128     -1.3734499982     -3.3367240443
 C      1.4284983454     -2.3759189993     -2.6828842151
 C      1.0791284315     -3.1300249169     -1.6369845481
 C      0.7065282024     -3.5682253133     -0.5543273417
 C      0.2852122334     -3.5918539727      0.7207153612
 C     -0.2153846848     -3.3644455152      1.8232597233
18
# ORCA AIMD Position Step 1774, t=1774.00 fs, E_Pot=-685.23922012 Hartree, Unit is Angstrom
 C     -0.7223255387     -2.5084046080      2.7561480669
 C     -1.1988890873     -1.4936378511      3.2563571539
 C     -1.4948093105     -0.1745294644      3.3735490312
 C     -1.4463238048      0.9759612179      3.0291065048
 C     -1.3018110956      2.1205579158      2.3879400047
 C     -1.1426868485      2.8220428928      1.4058267271
 C     -0.9058951106      3.1420887920      0.1141985972
 C     -0.5240446772      3.2678126300     -1.0393335595
 C     -0.0155105692      2.9122754695     -2.2719775674
 C      0.6105074043      2.2213869246     -3.1336666126
 C      1.1358773607      1.0977226973     -3.6402509393
 C      1.5166859033     -0.0709673821     -3.7064632945
 C      1.6178423365     -1.3657864958     -3.3402114333
 C      1.4244231673     -2.3782986202     -2.6905616142
 C      1.0736291472     -3.1275451307     -1.6395420516
 C      0.7049810588     -3.5714784417     -0.5596824078
 C      0.2870518614     -3.5956745822      0.7198049366
 C     -0.2190831383     -3.3623758737      1.8176031338
18
# ORCA AIMD Position Step 1775, t=1775.00 fs, E_Pot=-685.23886556 Hartree, Unit is Angstrom
 C     -0.7248087171     -2.5087492054      2.7558624694
 C     -1.2030036791     -1.4978717983      3.2606831947
 C     -1.4989346669     -0.1738495025      3.3756353574
 C     -1.4567343835      0.9741153520      3.0294147264
 C     -1.2968040395      2.1158149370      2.3864467116
 C     -1.1360587102      2.8203920528      1.4157010626
 C     -0.8971627937      3.1452026437      0.1150569582
 C     -0.5158636467      3.2588207986     -1.0340658928
 C     -0.0168894908      2.9176389735     -2.2710977416
 C      0.6148163206      2.2293832130     -3.1331476082
 C      1.1388976715      1.0973818416     -3.6432436206
 C      1.5168245059     -0.0696649406     -3.7061146387
 C      1.6190268949     -1.3579512161     -3.3437950717
 C      1.4204910062     -2.3804345984     -2.6983751809
 C      1.0679854605     -3.1256674312     -1.6414518322
 C      0.7037205421     -3.5744578407     -0.5654014680
 C      0.2882862300     -3.5995921645      0.7196753390
 C     -0.2224355430     -3.3598777132      1.8114315664
18
# ORCA AIMD Position Step 1776, t=1776.00 fs, E_Pot=-685.23894989 Hartree, Unit is Angstrom
 C     -0.7276400182     -2.5088284480      2.7555526615
 C     -1.2068234921     -1.5025938727      3.2647398001
 C     -1.5027438282     -0.1749277631      3.3779603833
 C     -1.4673513403      0.9727197811      3.0304435528
 C     -1.2919319752      2.1116513155      2.3844808690
 C     -1.1293560681      2.8190980029      1.4244790262
 C     -0.8882847195      3.1486907073      0.1165762863
 C     -0.5073919331      3.2494570692     -1.0299332131
 C     -0.0167015705      2.9213115011     -2.2716215979
 C      0.6172373138      2.2391897856     -3.1301505326
 C      1.1422079478      1.0965455859     -3.6462341651
 C      1.5166635936     -0.0675315035     -3.7058982351
 C      1.6199867065     -1.3506902597     -3.3471185207
 C      1.4167645468     -2.3819272337     -2.7065142680
 C      1.0622892696     -3.1242865470     -1.6429770087
 C      0.7026499286     -3.5772230740     -0.5711908929
 C      0.2889755286     -3.6036017840      0.7200994294
 C     -0.2254793023     -3.3569335090      1.8048834346
18
# ORCA AIMD Position Step 1777, t=1777.00 fs, E_Pot=-685.23942377 Hartree, Unit is Angstrom
 C     -0.7307806468     -2.5087325988      2.7551602339
 C     -1.2103884397     -1.5076532893      3.2685412884
 C     -1.5062411769     -0.1777845080      3.3805113179
 C     -1.4781390642      0.9716872853      3.0322157131
 C     -1.2872890076      2.1078197689      2.3824212117
 C     -1.1224650888      2.8184962154      1.4315598762
 C     -0.8793560738      3.1524506060      0.1191557756
 C     -0.4986481133      3.2398356104     -1.0270011329
 C     -0.0149519008      2.9233396928     -2.2735167125
 C      0.6179939341      2.2503515570     -3.1249733414
 C      1.1455912047      1.0957907997     -3.6490712921
 C      1.5162548056     -0.0645276943     -3.7058924166
 C      1.6206603545     -1.3446671183     -3.3498835021
 C      1.4132876845     -2.3824609176     -2.7150896422
 C      1.0566529660     -3.1232682684     -1.6444340924
 C      0.7016595793     -3.5798476316     -0.5767113816
 C      0.2892116981     -3.6077104532      0.7207828617
 C     -0.2282810652     -3.3535096996      1.7981592339
18
# ORCA AIMD Position Step 1778, t=1778.00 fs, E_Pot=-685.24002892 Hartree, Unit is Angstrom
 C     -0.7341648978     -2.5086026145      2.7546015121
 C     -1.2137503522     -1.5128899425      3.2721195390
 C     -1.5094380780     -0.1822422311      3.3832358415
 C     -1.4890552439      0.9708147376      3.0347726633
 C     -1.2829637206      2.1040990351      2.3805836571
 C     -1.1153037285      2.8188398359      1.4365227220
 C     -0.8704016049      3.1564117219      0.1229271576
 C     -0.4897030319      3.2300577936     -1.0251866130
 C     -0.0118265963      2.9239581176     -2.2764905188
 C      0.6174915744      2.2621954812     -3.1181670657
 C      1.1488080902      1.0957599557     -3.6515887263
 C      1.5156650253     -0.0607123005     -3.7061563153
 C      1.6210080282     -1.3403539300     -3.3518989027
 C      1.4100719939     -2.3818666536     -2.7240968971
 C      1.0511947974     -3.1224675097     -1.6461514732
 C      0.7006452966     -3.5824021448     -0.5816376163
 C      0.2891043043     -3.6119323631      0.7214035349
 C     -0.2309269649     -3.3495647980      1.7914959413
18
# ORCA AIMD Position Step 1779, t=1779.00 fs, E_Pot=-685.24036075 Hartree, Unit is Angstrom
 C     -0.7377102101     -2.5086099784      2.7537776709
 C     -1.2169688904     -1.5181469282      3.2755203354
 C     -1.5123552220     -0.1879730770      3.3860539519
 C     -1.5000509646      0.9698248555      3.0381616114
 C     -1.2790246199      2.1003458969      2.3791567969
 C     -1.1078342729      2.8202437462      1.4391992173
 C     -0.8613739039      3.1605335494      0.1277502193
 C     -0.4806744901      3.2202127577     -1.0242602041
 C     -0.0076921015      2.9235844889     -2.2799931595
 C      0.6162967143      2.2738898106     -3.1105095674
 C      1.1516314194      1.0970694827     -3.6536261913
 C      1.5149674027     -0.0562376871     -3.7067195885
 C      1.6210158766     -1.3379485529     -3.3531135805
 C      1.4070892575     -2.3801597113     -2.7334019313
 C      1.0460197816     -3.1217509042     -1.6484202889
 C      0.6995279210     -3.5849362550     -0.5857189519
 C      0.2887613358     -3.6162832708      0.7216582324
 C     -0.2335058979     -3.3450598685      1.7851292305
18
# ORCA AIMD Position Step 1780, t=1780.00 fs, E_Pot=-685.24011936 Hartree, Unit is Angstrom
 C     -0.7413311594     -2.5089284258      2.7525900784
 C     -1.2201050833     -1.5232876794      3.2787958367
 C     -1.5150233985     -0.1945677463      3.3888759962
 C     -1.5110720024      0.9684251873      3.0424186747
 C     -1.2755101878      2.0965242774      2.3781659870
 C     -1.1000690908      2.8226544356      1.4397049234
 C     -0.8521638194      3.1648005266      0.1332596074
 C     -0.4717107193      3.2103802667     -1.0238800059
 C     -0.0030621828      2.9227797652     -2.2832702798
 C      0.6150879601      2.2845270648     -3.1029388093
 C      1.1538779681      1.1002208912     -3.6550482941
 C      1.5142299450     -0.0513149923     -3.7075794439
 C      1.6206982950     -1.3373391170     -3.3536264394
 C      1.4042691350     -2.3775506703     -2.7427479875
 C      1.0412024096     -3.1210190213     -1.6514471476
 C      0.6982674030     -3.5874630819     -0.5888306835
 C      0.2882697319     -3.6207723444      0.7213098317
 C     -0.2360917070     -3.3399714724      1.7792500056
18
# ORCA AIMD Position Step 1781, t=1781.00 fs, E_Pot=-685.23939864 Hartree, Unit is Angstrom
 C     -0.7449540402     -2.5097045265      2.7509583094
 C     -1.2232133543     -1.5282117947      3.2819947480
 C     -1.5174826514     -0.2016054551      3.3916189897
 C     -1.5220593268      0.9663707086      3.0475500446
 C     -1.2724276394      2.0926982158      2.3774843601
 C     -1.0920677422      2.8258563156      1.4384148574
 C     -0.8426250125      3.1692141173      0.1389500511
 C     -0.4629691424      3.2006368945     -1.0236464166
 C      0.0014837824      2.9221623726     -2.2854842716
 C      0.6145717401      2.2932342451     -3.0964341042
 C      1.1554334905      1.1055255317     -3.6557564405
 C      1.5134993204     -0.0461547940     -3.7087020203
 C      1.6200966509     -1.3381205474     -3.3536735207
 C      1.4015039887     -2.3744267329     -2.7517807979
 C      1.0367747763     -3.1202240208     -1.6553211144
 C      0.6968709498     -3.5899502210     -0.5910012338
 C      0.2876773825     -3.6253944870      0.7202220694
 C     -0.2387252468     -3.3343050049      1.7739669635
18
# ORCA AIMD Position Step 1782, t=1782.00 fs, E_Pot=-685.23872943 Hartree, Unit is Angstrom
 C     -0.7485298566     -2.5110320327      2.7488364570
 C     -1.2263333961     -1.5328681566      3.2851517963
 C     -1.5197779092     -0.2087116290      3.3942195425
 C     -1.5329464916      0.9635169683      3.0535159493
 C     -1.2697624579      2.0889932989      2.3768813130
 C     -1.0839276435      2.8295116025      1.4358915354
 C     -0.8326046271      3.1737843014      0.1442784290
 C     -0.4545952827      3.1910622081     -1.0231636143
 C      0.0054198792      2.9222857853     -2.2858887391
 C      0.6153604733      2.2993066956     -3.0918487201
 C      1.1562688333      1.1130522412     -3.6556983863
 C      1.5127888432     -0.0409068556     -3.7100293179
 C      1.6192738366     -1.3396618939     -3.3535914530
 C      1.3986606616     -2.3713012967     -2.7600889882
 C      1.0327251694     -3.1193767903     -1.6600029175
 C      0.6953897943     -3.5923200041     -0.5924081128
 C      0.2869854946     -3.6301234648      0.7183747057
 C     -0.2414025285     -3.3281045954      1.7692854711
18
# ORCA AIMD Position Step 1783, t=1783.00 fs, E_Pot=-685.23871052 Hartree, Unit is Angstrom
 C     -0.7520414820     -2.5129348281      2.7462246824
 C     -1.2294827770     -1.5372593852      3.2882795851
 C     -1.5219544858     -0.2155921963      3.3966391622
 C     -1.5436535904      0.9598527217      3.0602191778
 C     -1.2674929310      2.0855447761      2.3760907107
 C     -1.0757707457      2.8332188281      1.4327860559
 C     -0.8219771288      3.1785196013      0.1487646123
 C     -0.4467075138      3.1817456873     -1.0220956308
 C      0.0084115018      2.9235000902     -2.2840239739
 C      0.6178325436      2.3023515802     -3.0897242346
 C      1.1564454851      1.1226056053     -3.6548757537
 C      1.5120735610     -0.0356213867     -3.7114873908
 C      1.6183028520     -1.3412143864     -3.3537617013
 C      1.3956002727     -2.3687341457     -2.7672568389
 C      1.0290055398     -3.1185423512     -1.6653373712
 C      0.6939091887     -3.5944589776     -0.5933441013
 C      0.2861493905     -3.6349074575      0.7158562409
 C     -0.2440707984     -3.3214595240      1.7651072578
18
# ORCA AIMD Position Step 1784, t=1784.00 fs, E_Pot=-685.23945311 Hartree, Unit is Angstrom
 C     -0.7555046534     -2.5153600171      2.7431754043
 C     -1.2326544102     -1.5414386872      3.2913637414
 C     -1.5240530534     -0.2220464614      3.3988638123
 C     -1.5540832953      0.9555077206      3.0675024102
 C     -1.2656039697      2.0824512668      2.3748749943
 C     -1.0677280737      2.8365743280      1.4297350362
 C     -0.8106754371      3.1834169543      0.1520807836
 C     -0.4393879415      3.1727900989     -1.0202081817
 C      0.0104197720      2.9258474620     -2.2798689306
 C      0.6220238619      2.3023975141     -3.0901471373
 C      1.1561102808      1.1337369954     -3.6533507080
 C      1.5112955829     -0.0302440488     -3.7129957970
 C      1.6172494521     -1.3420484054     -3.3545381704
 C      1.3922041636     -2.3672243187     -2.7729305989
 C      1.0255457997     -3.1178258814     -1.6710831198
 C      0.6925316409     -3.5962356216     -0.5941650129
 C      0.2850911608     -3.6396689036      0.7128389104
 C     -0.2466349030     -3.3145054581      1.7612489414
18
# ORCA AIMD Position Step 1785, t=1785.00 fs, E_Pot=-685.24040503 Hartree, Unit is Angstrom
 C     -0.7589638358     -2.5181894936      2.7397880718
 C     -1.2358189418     -1.5454947918      3.2943646611
 C     -1.5261076490     -0.2279699801      3.4009018099
 C     -1.5641231632      0.9507379665      3.0751538601
 C     -1.2640981397      2.0797374869      2.3730777648
 C     -1.0599200216      2.8392290187      1.4272700539
 C     -0.7987086975      3.1884568146      0.1541188707
 C     -0.4326698083      3.1643038054     -1.0174088355
 C      0.0117152716      2.9290503067     -2.2738605909
 C      0.6276081721      2.2999133273     -3.0927203547
 C      1.1554802950      1.1457966745     -3.6512485457
 C      1.5103785651     -0.0246510995     -3.7144742048
 C      1.6161503924     -1.3415901294     -3.3561765703
 C      1.3884011742     -2.3670915506     -2.7768911635
 C      1.0222674187     -3.1173540993     -1.6769548964
 C      0.6913555312     -3.5975224410     -0.5952209498
 C      0.2837192559     -3.6443125716      0.7095312633
 C     -0.2489731015     -3.3074118166      1.7574758464
18
# ORCA AIMD Position Step 1786, t=1786.00 fs, E_Pot=-685.24073413 Hartree, Unit is Angstrom
 C     -0.7624859468     -2.5212610598      2.7361944591
 C     -1.2389323519     -1.5495373483      3.2972247398
 C     -1.5281461867     -0.2333440910      3.4027794047
 C     -1.5736572188      0.9458837526      3.0829301013
 C     -1.2629986604      2.0773436773      2.3706464482
 C     -1.0524356542      2.8409287847      1.4257504662
 C     -0.7861610965      3.1936023508      0.1550248754
 C     -0.4265309579      3.1563864155     -1.0137572679
 C      0.0127945340      2.9326010210     -2.2667763134
 C      0.6339829848      2.2957171869     -3.0966723641
 C      1.1548193330      1.1580183305     -3.6487529218
 C      1.5092464602     -0.0186988941     -3.7158504820
 C      1.6149936519     -1.3395336157     -3.3587772391
 C      1.3841866748     -2.3683824666     -2.7791102213
 C      1.0190962129     -3.1172541128     -1.6826725746
 C      0.6904561303     -3.5982176090     -0.5967982696
 C      0.2819486542     -3.6487400558      0.7061297959
 C     -0.2509587876     -3.3003587884      1.7535406467
18
# ORCA AIMD Position Step 1787, t=1787.00 fs, E_Pot=-685.23989611 Hartree, Unit is Angstrom
 C     -0.7661456911     -2.5243959292      2.7325379025
 C     -1.2419523809     -1.5536797804      3.2998846707
 C     -1.5301874133     -0.2382062724      3.4045310423
 C     -1.5825824928      0.9413121669      3.0905847140
 C     -1.2623469184      2.0751299998      2.3676320744
 C     -1.0453218941      2.8415312413      1.4253465057
 C     -0.7731780118      3.1988071886      0.1551895985
 C     -0.4208866799      3.1491155217     -1.0094750294
 C      0.0142413528      2.9359013554     -2.2595311396
 C      0.6404117490      2.2908262972     -3.1010402189
 C      1.1544140870      1.1696056646     -3.6460950491
 C      1.5078382750     -0.0122726078     -3.7170673246
 C      1.6137120395     -1.3358827496     -3.3622664461
 C      1.3796285441     -2.3708383116     -2.7797745424
 C      1.0159684337     -3.1176383748     -1.6879941690
 C      0.6898703185     -3.5982640710     -0.5990745578
 C      0.2797213040     -3.6528593419      0.7027728220
 C     -0.2524835703     -3.2935193970      1.7492175384
18
# ORCA AIMD Position Step 1788, t=1788.00 fs, E_Pot=-685.23798325 Hartree, Unit is Angstrom
 C     -0.7700171108     -2.5274316838      2.7289492249
 C     -1.2448436722     -1.5580144959      3.3022889044
 C     -1.5322482047     -0.2426270743      3.4061934105
 C     -1.5908114955      0.9373607626      3.0978924579
 C     -1.2622002841      2.0728979542      2.3641742372
 C     -1.0385773008      2.8410042864      1.4260447620
 C     -0.7599399859      3.2040205436      0.1551875009
 C     -0.4156054079      3.1425383278     -1.0049068646
 C      0.0165982463      2.9383978122     -2.2529797617
 C      0.6461705039      2.2862765228     -3.1048665568
 C      1.1545423421      1.1798369602     -3.6435294876
 C      1.5061211666     -0.0053363585     -3.7180825500
 C      1.6121881793     -1.3309117217     -3.3664232279
 C      1.3748527365     -2.3739425543     -2.7792441177
 C      1.0128400309     -3.1185901234     -1.6927544731
 C      0.6895924217     -3.5976523038     -0.6020955859
 C      0.2770132946     -3.6566002596      0.6995118290
 C     -0.2534714990     -3.2870323429      1.7443360241
18
# ORCA AIMD Position Step 1789, t=1789.00 fs, E_Pot=-685.23568866 Hartree, Unit is Angstrom
 C     -0.7741592859     -2.5302449854      2.7255275888
 C     -1.2475865391     -1.5626052568      3.3043953596
 C     -1.5343445308     -0.2466651789      3.4077962872
 C     -1.5982772020      0.9342896883      3.1046692626
 C     -1.2626250403      2.0704170254      2.3604722050
 C     -1.0321614331      2.8394022216      1.4276995680
 C     -0.7466316991      3.2091937765      0.1556716499
 C     -0.4105288085      3.1366752339     -1.0004624611
 C      0.0202831690      2.9396636635     -2.2477852204
 C      0.6506538696      2.2829825859     -3.1073439422
 C      1.1554422896      1.1881417919     -3.6413050193
 C      1.5040951722      0.0020507314     -3.7188709274
 C      1.6102737798     -1.3250827569     -3.3709290226
 C      1.3700214793     -2.3770120804     -2.7779943872
 C      1.0096886988     -3.1201591836     -1.6968723273
 C      0.6895758347     -3.5964211406     -0.6057810705
 C      0.2738383001     -3.6599155132      0.6963089932
 C     -0.2538885799     -3.2809933844      1.7387970923
18
# ORCA AIMD Position Step 1790, t=1790.00 fs, E_Pot=-685.23395116 Hartree, Unit is Angstrom
 C     -0.7786069559     -2.5327660637      2.7223287395
 C     -1.2501810356     -1.5674722714      3.3061795090
 C     -1.5364944648     -0.2503387142      3.4093551775
 C     -1.6049269290      0.9322482328      3.1107808362
 C     -1.2636901548      2.0674521991      2.3567572939
 C     -1.0260090729      2.8368369532      1.4300906938
 C     -0.7334124388      3.2142827071      0.1572493721
 C     -0.4055023050      3.1315298141     -0.9965373156
 C      0.0255480648      2.9394410256     -2.2443487752
 C      0.6534446028      2.2816236679     -3.1079100290
 C      1.1572815394      1.1941727690     -3.6396299094
 C      1.5017936351      0.0097244860     -3.7194224564
 C      1.6078123459     -1.3189470363     -3.3754257442
 C      1.3653074988     -2.3793044319     -2.7765418741
 C      1.0065166044     -3.1223587930     -1.7003538403
 C      0.6897411802     -3.5946508847     -0.6099448625
 C      0.2702435601     -3.6627814516      0.6930488075
 C     -0.2537441098     -3.2754522403      1.7325810974
18
# ORCA AIMD Position Step 1791, t=1791.00 fs, E_Pot=-685.23344277 Hartree, Unit is Angstrom
 C     -0.7833604054     -2.5349839094      2.7193611559
 C     -1.2526451188     -1.5725808642      3.3076368729
 C     -1.5387140899     -0.2536096256      3.4108693129
 C     -1.6107184388      0.9312615574      3.1161401660
 C     -1.2654599182      2.0637944379      2.3532636379
 C     -1.0200498825      2.8334490367      1.4329767880
 C     -0.7203976803      3.2192427128      0.1603610439
 C     -0.4004076288      3.1271049418     -0.9934254792
 C      0.0324597282      2.9376557600     -2.2427866294
 C      0.6543565949      2.2825573055     -3.1063091026
 C      1.1601266062      1.1978618523     -3.6386391548
 C      1.4992833917      0.0174136813     -3.7197404880
 C      1.6046620144     -1.3130616826     -3.3795643395
 C      1.3608727923     -2.3801173282     -2.7753737405
 C      1.0033529079     -3.1251616823     -1.7032884116
 C      0.6899877091     -3.5924539117     -0.6143251672
 C      0.2663052281     -3.6651927439      0.6895640592
 C     -0.2530897390     -3.2704189308      1.7257519081
18
# ORCA AIMD Position Step 1792, t=1792.00 fs, E_Pot=-685.23416711 Hartree, Unit is Angstrom
 C     -0.7883778109     -2.5369431533      2.7165878131
 C     -1.2550132850     -1.5778335009      3.3087824599
 C     -1.5410166838     -0.2563832759      3.4123201229
 C     -1.6156125004      0.9312325292      3.1207022834
 C     -1.2679810478      2.0592919827      2.3502016898
 C     -1.0142285914      2.8293825566      1.4361416900
 C     -0.7076537054      3.2240196296      0.1651834977
 C     -0.3951894587      3.1234181516     -0.9912502480
 C      0.0408817751      2.9344308000     -2.2429142108
 C      0.6534666893      2.2857597341     -3.1026372110
 C      1.1639201360      1.1994521376     -3.6383723807
 C      1.4966638608      0.0247419229     -3.7198412895
 C      1.6007181822     -1.3079225526     -3.3830432896
 C      1.3568513164     -2.3788761294     -2.7748885315
 C      1.0002563895     -3.1284939187     -1.7058400377
 C      0.6902048097     -3.5899673294     -0.6186185276
 C      0.2621226291     -3.6671576638      0.6856699705
 C     -0.2520150503     -3.2658738296      1.7184544296
18
# ORCA AIMD Position Step 1793, t=1793.00 fs, E_Pot=-685.23541418 Hartree, Unit is Angstrom
 C     -0.7935781528     -2.5387374441      2.7139296317
 C     -1.2573347139     -1.5830677288      3.3096506163
 C     -1.5434099320     -0.2585377277      3.4136761467
 C     -1.6195784127      0.9319591313      3.1244627494
 C     -1.2712723224      2.0538705224      2.3477337138
 C     -1.0085127047      2.8247678421      1.4394194804
 C     -0.6951926675      3.2285466452      0.1715953009
 C     -0.3898635936      3.1205056851     -0.9899221544
 C      0.0504620119      2.9301051343     -2.2442310243
 C      0.6511402227      2.2907976831     -3.0973803152
 C      1.1684794143      1.1994850894     -3.6387655217
 C      1.4940618708      0.0312455864     -3.7197511219
 C      1.5959263549     -1.3038955141     -3.3856455358
 C      1.3533275133     -2.3752155151     -2.7753344360
 C      0.9973125851     -3.1322303670     -1.7082452700
 C      0.6902874370     -3.5873365380     -0.6225256879
 C      0.2578079715     -3.6686983659      0.6811930425
 C     -0.2506419580     -3.2617717091      1.7109029297
18
# ORCA AIMD Position Step 1794, t=1794.00 fs, E_Pot=-685.23621360 Hartree, Unit is Angstrom
 C     -0.7988564078     -2.5404929024      2.7112756383
 C     -1.2596705108     -1.5880800350      3.3102909218
 C     -1.5458967396     -0.2599561232      3.4149018936
 C     -1.6226053167      0.9331667150      3.1274574909
 C     -1.2753181962      2.0475465047      2.3459445782
 C     -1.0028925052      2.8196967507      1.4427204709
 C     -0.6829670276      3.2327501613      0.1792134104
 C     -0.3844965055      3.1184160568     -0.9891593479
 C      0.0606535412      2.9252204070     -2.2459372525
 C      0.6479983087      2.2968891201     -3.0913758539
 C      1.1735337144      1.1987128096     -3.6396771192
 C      1.4916156993      0.0364281827     -3.7195031263
 C      1.5902857990     -1.3011612570     -3.3872708766
 C      1.3503217716     -2.3690310367     -2.7767780769
 C      0.9946200097     -3.1362081233     -1.7107832178
 C      0.6901492443     -3.5846978752     -0.6258027657
 C      0.2534664767     -3.6698452616      0.6759991859
 C     -0.2491093187     -3.2580494050      1.7033413449
18
# ORCA AIMD Position Step 1795, t=1795.00 fs, E_Pot=-685.23605214 Hartree, Unit is Angstrom
 C     -0.8041041061     -2.5423441198      2.7084996639
 C     -1.2620875060     -1.5926523002      3.3107581813
 C     -1.5484753926     -0.2605648060      3.4159665639
 C     -1.6247071824      0.9345516369      3.1297566949
 C     -1.2800715451      2.0404211504      2.3448327542
 C     -0.9973748172      2.8142117477      1.4460289143
 C     -0.6708830687      3.2365566013      0.1874989304
 C     -0.3791779278      3.1172023634     -0.9885483490
 C      0.0707767370      2.9204685836     -2.2470123628
 C      0.6448373199      2.3030318992     -3.0857110580
 C      1.1787855104      1.1979455270     -3.6409283212
 C      1.4894526456      0.0398335978     -3.7191325142
 C      1.5838453176     -1.2996736991     -3.3879566340
 C      1.3477806597     -2.3605023089     -2.7790884935
 C      0.9922750919     -3.1402463399     -1.7137423921
 C      0.6897366241     -3.5821570151     -0.6283094143
 C      0.2491781023     -3.6706316062      0.6700136299
 C     -0.2475559563     -3.2546355482      1.6960036761
18
# ORCA AIMD Position Step 1796, t=1796.00 fs, E_Pot=-685.23531112 Hartree, Unit is Angstrom
 C     -0.8092279485     -2.5444044370      2.7054832366
 C     -1.2646471757     -1.5965799081      3.3110980412
 C     -1.5511392101     -0.2603592923      3.4168511680
 C     -1.6259213712      0.9358219624      3.1314518642
 C     -1.2854582128      2.0326669156      2.3443167454
 C     -0.9919776720      2.8083093600      1.4493829277
 C     -0.6588290789      3.2398959555      0.1958838840
 C     -0.3739959774      3.1169158363     -0.9876259567
 C      0.0801291263      2.9165837814     -2.2463799523
 C      0.6424898748      2.3081917702     -3.0815382141
 C      1.1839738300      1.1978761903     -3.6423503425
 C      1.4876642805      0.0411350758     -3.7186694065
 C      1.5766994092     -1.2991476032     -3.3878811601
 C      1.3455808153     -2.3500888782     -2.7819449383
 C      0.9903588875     -3.1441682149     -1.7173754210
 C      0.6890372682     -3.5797742292     -0.6300418797
 C      0.2449851761     -3.6710846347      0.6632369740
 C     -0.2461041106     -3.2514653970      1.6890812334
18
# ORCA AIMD Position Step 1797, t=1797.00 fs, E_Pot=-685.23496331 Hartree, Unit is Angstrom
 C     -0.8141624445     -2.5467371750      2.7021397378
 C     -1.2673933394     -1.5996965026      3.3113316782
 C     -1.5538748194     -0.2594186076      3.4175520275
 C     -1.6263034730      0.9367278164      3.1326433050
 C     -1.2913816033      2.0245112536      2.3442538554
 C     -0.9867254966      2.8019582485      1.4528413122
 C     -0.6467110694      3.2427021205      0.2038822754
 C     -0.3690220675      3.1176009243     -0.9859526767
 C      0.0881406401      2.9141771442     -2.2431536141
 C      0.6416411770      2.3115266260     -3.0798181203
 C      1.1889237928      1.1989311955     -3.6438207080
 C      1.4862865624      0.0402212926     -3.7181374687
 C      1.5689860293     -1.2990788326     -3.3873522617
 C      1.3435417386     -2.3385022332     -2.7848663367
 C      0.9889276359     -3.1478199622     -1.7218563537
 C      0.6880836518     -3.5775589625     -0.6311461339
 C      0.2408888972     -3.6712185631      0.6557572703
 C     -0.2448488691     -3.2484947086      1.6827040244
18
# ORCA AIMD Position Step 1798, t=1798.00 fs, E_Pot=-685.23569292 Hartree, Unit is Angstrom
 C     -0.8188749646     -2.5493333858      2.6984339682
 C     -1.2703396309     -1.6018923807      3.3114442036
 C     -1.5566600445     -0.2579102546      3.4180825698
 C     -1.6259239159      0.9370822365      3.1334304483
 C     -1.2977241824      2.0162213980      2.3444650144
 C     -0.9816470466      2.7951257488      1.4564444430
 C     -0.6344881084      3.2449093706      0.2111684048
 C     -0.3643046700      3.1192915844     -0.9831697455
 C      0.0945310719      2.9135603408     -2.2369035591
 C      0.6426495478      2.3125945615     -3.0810555511
 C      1.1935698722      1.2011843910     -3.6452817436
 C      1.4852919375      0.0372566491     -3.7175559386
 C      1.5608828997     -1.2988103627     -3.3867740216
 C      1.3414482516     -2.3266462031     -2.7872639851
 C      0.9880065781     -3.1510826796     -1.7272495738
 C      0.6869518440     -3.5754741540     -0.6319084008
 C      0.2368546624     -3.6710310655      0.6477538290
 C     -0.2438546303     -3.2457089097      1.6769372692
18
# ORCA AIMD Position Step 1799, t=1799.00 fs, E_Pot=-685.23719569 Hartree, Unit is Angstrom
 C     -0.8233665036     -2.5521045671      2.6943923287
 C     -1.2734633364     -1.6031299775      3.3113792940
 C     -1.5594631260     -0.2560840757      3.4184739182
 C     -1.6248656370      0.9367727760      3.1339034790
 C     -1.3043541914      2.0080815461      2.3447622421
 C     -0.9767653650      2.7878064416      1.4601840759
 C     -0.6221919644      3.2464575905      0.2176233177
 C     -0.3598664152      3.1220009680     -0.9790433684
 C      0.0993958901      2.9146391431     -2.2278263262
 C      0.6454487914      2.3114723091     -3.0851298283
 C      1.1979514686      1.2043548349     -3.6467449016
 C      1.4845936423      0.0326860479     -3.7169446963
 C      1.5525929884     -1.2976489220     -3.3865834178
 C      1.3390835938     -2.3155064567     -2.7885247035
 C      0.9875891390     -3.1538773816     -1.7334985926
 C      0.6857506844     -3.5734483077     -0.6327210109
 C      0.2328231190     -3.6705056609      0.6394821877
 C     -0.2431568490     -3.2431232535      1.6717889786
18
# ORCA AIMD Position Step 1800, t=1800.00 fs, E_Pot=-685.23852240 Hartree, Unit is Angstrom
 C     -0.8276711187     -2.5548920897      2.6900970142
 C     -1.2767085666     -1.6034492506      3.3110435799
 C     -1.5622465825     -0.2542536433      3.4187744694
 C     -1.6232220065      0.9357668272      3.1341383523
 C     -1.3111379694      2.0003587026      2.3449741215
 C     -0.9720870908      2.7800362566      1.4639883938
 C     -0.6099209586      3.2472957897      0.2233556818
 C     -0.3556989559      3.1257170415     -0.9734945044
 C      0.1031745002      2.9169448584     -2.2167053086
 C      0.6495849289      2.3087131598     -3.0913258125
 C      1.2021900025      1.2078943641     -3.6482779640
 C      1.4840660599      0.0271755832     -3.7163341694
 C      1.5443104424     -1.2950258361     -3.3871624260
 C      1.3362655308     -2.3059781371     -2.7881201618
 C      0.9876382176     -3.1561706407     -1.7404439571
 C      0.6846050373     -3.5713908978     -0.6340222342
 C      0.2287228785     -3.6696174926      0.6312327511
 C     -0.2427683606     -3.2407729460      1.6672207403
18
# ORCA AIMD Position Step 1801, t=1801.00 fs, E_Pot=-685.23899822 Hartree, Unit is Angstrom
 C     -0.8318510337     -2.5574914719      2.6856672626
 C     -1.2799954513     -1.6029588802      3.3103172558
 C     -1.5649747599     -0.2527651556      3.4190433108
 C     -1.6210885724      0.9341059653      3.1341953396
 C     -1.3179567711      1.9932729016      2.3449695972
 C     -0.9675998000      2.7718881461      1.4677256040
 C     -0.5978174203      3.2473828334      0.2286873148
 C     -0.3517527982      3.1304069381     -0.9666126621
 C      0.1065060608      2.9197895445     -2.2046739764
 C      0.6543741088      2.3051588018     -3.0985577199
 C      1.2064530546      1.2111391554     -3.6499829446
 C      1.4835705489      0.0215027909     -3.7157708789
 C      1.5361784501     -1.2906684158     -3.3887422770
 C      1.3328817672     -2.2986753732     -2.7857188363
 C      0.9880936261     -3.1579715689     -1.7478608351
 C      0.6836320645     -3.5692136596     -0.6362225792
 C      0.2244843807     -3.6683401957      0.6232760698
 C     -0.2426880997     -3.2386985218      1.6631640395
18
# ORCA AIMD Position Step 1802, t=1802.00 fs, E_Pot=-685.23863511 Hartree, Unit is Angstrom
 C     -0.8359826788     -2.5596840002      2.6812357681
 C     -1.2832342799     -1.6018164344      3.3090694062
 C     -1.5676177098     -0.2519579219      3.4193464757
 C     -1.6185577097      0.9318838915      3.1341154777
 C     -1.3247173838      1.9869759593      2.3446691462
 C     -0.9632673617      2.7634679941      1.4712236595
 C     -0.5860446834      3.2466912101      0.2340934025
 C     -0.3479387909      3.1360173138     -0.9586485916
 C      0.1100509285      2.9224571597     -2.1929132700
 C      0.6590971598      2.3017071334     -3.1056563381
 C      1.2109013944      1.2134753581     -3.6519666366
 C      1.4829871252      0.0164339383     -3.7153211188
 C      1.5282642875     -1.2847155140     -3.3913317038
 C      1.3289136759     -2.2937966154     -2.7812683073
 C      0.9888828072     -3.1593256326     -1.7554994353
 C      0.6829163049     -3.5668490060     -0.6396346489
 C      0.2200575796     -3.6666494169      0.6158130533
 C     -0.2429137359     -3.2369344264      1.6595435821
18
# ORCA AIMD Position Step 1803, t=1803.00 fs, E_Pot=-685.23789785 Hartree, Unit is Angstrom
 C     -0.8401399975     -2.5612705002      2.6769241769
 C     -1.2863364515     -1.6002026163      3.3071750986
 C     -1.5701547855     -0.2521275473      3.4197473831
 C     -1.6157120710      0.9292214204      3.1339237151
 C     -1.3313552217      1.9815483655      2.3440496959
 C     -0.9590385064      2.7549045557      1.4742925068
 C     -0.5747655872      3.2452059646      0.2401176817
 C     -0.3441329309      3.1424805256     -0.9499839447
 C      0.1143538299      2.9243451514     -2.1824117056
 C      0.6631523485      2.2991156137     -3.1116041478
 C      1.2156481711      1.2144769486     -3.6543105898
 C      1.4822285852      0.0126279342     -3.7150665454
 C      1.5205566232     -1.2777216078     -3.3947094794
 C      1.3244352687     -2.2911035446     -2.7750087856
 C      0.9899306611     -3.1603062395     -1.7631201272
 C      0.6824963324     -3.5642639459     -0.6444179351
 C      0.2154232731     -3.6645276656      0.6089416210
 C     -0.2434495140     -3.2354989920      1.6562987931
18
# ORCA AIMD Position Step 1804, t=1804.00 fs, E_Pot=-685.23734877 Hartree, Unit is Angstrom
 C     -0.8443845848     -2.5620877155      2.6728340697
 C     -1.2892202622     -1.5983129560      3.3045273317
 C     -1.5725765921     -0.2534726933      3.4202981084
 C     -1.6126250582      0.9262245703      3.1336372594
 C     -1.3378286180      1.9770112384      2.3431349896
 C     -0.9548624155      2.7463275475      1.4767698746
 C     -0.5641167035      3.2429290593      0.2472477531
 C     -0.3401921194      3.1497189271     -0.9410682096
 C      0.1197870420      2.9250272246     -2.1738525117
 C      0.6661229804      2.2979067086     -3.1156475202
 C      1.2207303947      1.2139814718     -3.6570513555
 C      1.4812507818      0.0105694786     -3.7150969198
 C      1.5129867162     -1.2705567519     -3.3984719233
 C      1.3195987142     -2.2899886362     -2.7674413252
 C      0.9911622385     -3.1610183803     -1.7705002976
 C      0.6823578433     -3.5614670607     -0.6505636685
 C      0.2105957058     -3.6619613516      0.6026641637
 C     -0.2443058239     -3.2343978384      1.6533824084
18
# ORCA AIMD Position Step 1805, t=1805.00 fs, E_Pot=-685.23736545 Hartree, Unit is Angstrom
 C     -0.8487490360     -2.5620358240      2.6690272048
 C     -1.2918194632     -1.5963328936      3.3010522853
 C     -1.5748851652     -0.2560762294      3.4210342365
 C     -1.6093599307      0.9229658293      3.1332704555
 C     -1.3441136924      1.9733355581      2.3419879528
 C     -0.9506972640      2.7378604806      1.4785381585
 C     -0.5541942123      3.2398765622      0.2558185947
 C     -0.3359698614      3.1576483098     -0.9323460947
 C      0.1265289717      2.9242743422     -2.1675721212
 C      0.6678106238      2.2983142613     -3.1173502023
 C      1.2260865767      1.2121385017     -3.6601642368
 C      1.4800557235      0.0105132945     -3.7154986484
 C      1.5054612237     -1.2642181790     -3.4021292455
 C      1.3146010329     -2.2896337192     -2.7592290755
 C      0.9925072177     -3.1615891598     -1.7774488209
 C      0.6824350025     -3.5585091250     -0.6578902044
 C      0.2056230361     -3.6589440280      0.5968932954
 C     -0.2455017983     -3.2336199736      1.6507688635
18
# ORCA AIMD Position Step 1806, t=1806.00 fs, E_Pot=-685.23802329 Hartree, Unit is Angstrom
 C     -0.8532319231     -2.5610888123      2.6655208119
 C     -1.2940877233     -1.5944306901      3.2967186246
 C     -1.5770930458     -0.2598797704      3.4219709048
 C     -1.6059724052      0.9194643066      3.1328409379
 C     -1.3501950412      1.9704582716      2.3406962243
 C     -0.9465257843      2.7296026427      1.4795556854
 C     -0.5450358714      3.2360843193      0.2659108887
 C     -0.3313371567      3.1661795740     -0.9241714234
 C      0.1345729742      2.9220510813     -2.1635680992
 C      0.6682270651      2.3002927163     -3.1165950160
 C      1.2315614454      1.2093904706     -3.6635642011
 C      1.4786880770      0.0124459481     -3.7163413854
 C      1.4978913459     -1.2596351549     -3.4052045314
 C      1.3096559871     -2.2891622548     -2.7511034560
 C      0.9939015615     -3.1621665246     -1.7838044617
 C      0.6826169803     -3.5554773243     -0.6660732267
 C      0.2005772341     -3.6554728679      0.5914909117
 C     -0.2470572921     -3.2331457979      1.6484400123
18
# ORCA AIMD Position Step 1807, t=1807.00 fs, E_Pot=-685.23905405 Hartree, Unit is Angstrom
 C     -0.8577942845     -2.5593024535      2.6622847645
 C     -1.2960032607     -1.5927469449      3.2915432247
 C     -1.5792221936     -0.2646847330      3.4231029672
 C     -1.6025122900      0.9156836124      3.1323709767
 C     -1.3560611768      1.9682933790      2.3393617082
 C     -0.9423633813      2.7216150550      1.4798749405
 C     -0.5366094135      3.2316155263      0.2773001732
 C     -0.3261966762      3.1752172208     -0.9167447332
 C      0.1437421936      2.9185055951     -2.1615273843
 C      0.6675715403      2.3035565174     -3.1135641238
 C      1.2369277847      1.2064104465     -3.6671209185
 C      1.4772282777      0.0160641325     -3.7176643828
 C      1.4902151037     -1.2574923114     -3.4073200975
 C      1.3049627838     -2.2877831845     -2.7437619836
 C      0.9952908966     -3.1629057946     -1.7894450426
 C      0.6827642387     -3.5524857996     -0.6746913438
 C      0.1955385421     -3.6515472576      0.5863088255
 C     -0.2489867068     -3.2329530036      1.6463700213
18
# ORCA AIMD Position Step 1808, t=1808.00 fs, E_Pot=-685.23994005 Hartree, Unit is Angstrom
 C     -0.8623626012     -2.5568155912      2.6592402637
 C     -1.2975717105     -1.5913824735      3.2855926152
 C     -1.5813023756     -0.2701802834      3.4244096723
 C     -1.5990236608      0.9115468464      3.1318846711
 C     -1.3617035137      1.9667383111      2.3380912272
 C     -0.9382593051      2.7139119613      1.4796442247
 C     -0.5288112139      3.2265663180      0.2894676776
 C     -0.3204888033      3.1846597292     -0.9100863084
 C      0.1537142439      2.9139567105     -2.1608578400
 C      0.6661966841      2.3076303815     -3.1087105686
 C      1.2419232112      1.2039997182     -3.6706810310
 C      1.4757787610      0.0208027177     -3.7194709458
 C      1.4824076393     -1.2581076358     -3.4082629866
 C      1.3006777378     -2.2849122242     -2.7377673822
 C      0.9966376340     -3.1639457238     -1.7943074930
 C      0.6827265574     -3.5496613170     -0.6832794914
 C      0.1905779561     -3.6471670742      0.5812238178
 C     -0.2512931278     -3.2330217741      1.6445137374
18
# ORCA AIMD Position Step 1809, t=1809.00 fs, E_Pot=-685.24016448 Hartree, Unit is Angstrom
 C     -0.8668345143     -2.5538425805      2.6562628273
 C     -1.2988280858     -1.5903864308      3.2789791083
 C     -1.5833688278     -0.2759926110      3.4258623477
 C     -1.5955447662      0.9069626826      3.1314014374
 C     -1.3671179598      1.9656766469      2.3369930539
 C     -0.9342905349      2.7064626455      1.4790896404
 C     -0.5214787111      3.2210662206      0.3016803663
 C     -0.3141861904      3.1943990853     -0.9040613841
 C      0.1640549049      2.9088673769     -2.1607431238
 C      0.6645662038      2.3119146056     -3.1027076531
 C      1.2462918596      1.2029581046     -3.6740931484
 C      1.4744441146      0.0259243574     -3.7217302791
 C      1.4744864323     -1.2613774048     -3.4080205356
 C      1.2968910323     -2.2802680820     -2.7334605933
 C      0.9979289801     -3.1653788151     -1.7984089384
 C      0.6823583064     -3.5471294302     -0.6913811755
 C      0.1857446499     -3.6423318823      0.5761598844
 C     -0.2539655905     -3.2333377739      1.6428013483
18
# ORCA AIMD Position Step 1810, t=1810.00 fs, E_Pot=-685.23950014 Hartree, Unit is Angstrom
 C     -0.8710864418     -2.5506577038      2.6531895568
 C     -1.2998357850     -1.5897499587      3.2718507878
 C     -1.5854574924     -0.2817444034      3.4274335449
 C     -1.5921079350      0.9018596875      3.1309283296
 C     -1.3723070788      1.9649787815      2.3361786294
 C     -0.9305503424      2.6992029741      1.4784806056
 C     -0.5144142526      3.2152705025      0.3131121021
 C     -0.3072816351      3.2043230011     -0.8984419489
 C      0.1742666316      2.9037974962     -2.1602264415
 C      0.6631991543      2.3157602923     -3.0963672638
 C      1.2498250274      1.2039415712     -3.6772291573
 C      1.4733074338      0.0306661727     -3.7243859805
 C      1.4665127506     -1.2667840269     -3.4067933667
 C      1.2936124826     -2.2739339951     -2.7309024727
 C      0.9991812758     -3.1672288800     -1.8018543200
 C      0.6815303070     -3.5450022874     -0.6985912926
 C      0.1810619921     -3.6370406826      0.5710945391
 C     -0.2569835384     -3.2338927713      1.6411414875
18
# ORCA AIMD Position Step 1811, t=1811.00 fs, E_Pot=-685.23816416 Hartree, Unit is Angstrom
 C     -0.8749840898     -2.5475728454      2.6498335557
 C     -1.3006805316     -1.5894098837      3.2643793458
 C     -1.5876018847     -0.2871081201      3.4291047077
 C     -1.5887406700      0.8962159388      3.1304523833
 C     -1.3772817398      1.9645008586      2.3357652452
 C     -0.9271309789      2.6920573384      1.4780842677
 C     -0.5074153495      3.2093450940      0.3229759425
 C     -0.2997743991      3.2143177401     -0.8929807457
 C      0.1838561853      2.8993282419     -2.1583366847
 C      0.6625950818      2.3185622300     -3.0905157382
 C      1.2523935430      1.2073273238     -3.6800016763
 C      1.4724087981      0.0344078109     -3.7273667911
 C      1.4585914248     -1.2734510253     -3.4049876743
 C      1.2907680669     -2.2663722100     -2.7298565561
 C      1.0004356123     -3.1694464508     -1.8048193856
 C      0.6801407938     -3.5433682961     -0.7045889594
 C      0.1765287847     -3.6312941455      0.5660512804
 C     -0.2603204154     -3.2346828583      1.6394308382
18
# ORCA AIMD Position Step 1812, t=1812.00 fs, E_Pot=-685.23673595 Hartree, Unit is Angstrom
 C     -0.8783957728     -2.5449063059      2.6460038415
 C     -1.3014605649     -1.5892636635      3.2567437103
 C     -1.5898296866     -0.2918467004      3.4308708467
 C     -1.5854666423      0.8900813187      3.1299377296
 C     -1.3820609480      1.9640866926      2.3358770127
 C     -0.9241070406      2.6849632965      1.4781175610
 C     -0.5003073681      3.2034457901      0.3306436272
 C     -0.2916601628      3.2242719439     -0.8874765867
 C      0.1924240969      2.8959596309     -2.1542578866
 C      0.6631412846      2.3198721485     -3.0858296174
 C      1.2539697618      1.2131189029     -3.6823745226
 C      1.4717291512      0.0368109289     -3.7305964935
 C      1.4508637262     -1.2802438906     -3.4031809650
 C      1.2882166613     -2.2583742040     -2.7298243473
 C      1.0017444167     -3.1719277223     -1.8075073243
 C      0.6781210962     -3.5422831895     -0.7091649951
 C      0.1721266216     -3.6250991881      0.5610857596
 C     -0.2639493825     -3.2357055684      1.6375667297
18
# ORCA AIMD Position Step 1813, t=1813.00 fs, E_Pot=-685.23585253 Hartree, Unit is Angstrom
 C     -0.8812084349     -2.5429472343      2.6415326790
 C     -1.3022725350     -1.5891948876      3.2491133037
 C     -1.5921612380     -0.2958362420      3.4327420820
 C     -1.5823084062      0.8835864161      3.1293281420
 C     -1.3866675341      1.9635749417      2.3366400800
 C     -0.9215193401      2.6778960974      1.4787056055
 C     -0.4929739944      3.1976979685      0.3357353437
 C     -0.2829277685      3.2340810025     -0.8818208500
 C      0.1997433795      2.8940067319     -2.1475043407
 C      0.6650287413      2.3195043548     -3.0826690164
 C      1.2546305422      1.2209231479     -3.6843689414
 C      1.4711910528      0.0378828019     -3.7340008109
 C      1.4434913291     -1.2859210182     -3.4020477978
 C      1.2857796851     -2.2509324763     -2.7301413181
 C      1.0031523625     -3.1745477475     -1.8100906113
 C      0.6754452562     -3.5417636722     -0.7122405761
 C      0.1678286243     -3.6184763059      0.5562678120
 C     -0.2678453037     -3.2369569603      1.6354606923
18
# ORCA AIMD Position Step 1814, t=1814.00 fs, E_Pot=-685.23587671 Hartree, Unit is Angstrom
 C     -0.8833431559     -2.5419168292      2.6363053734
 C     -1.3031960982     -1.5891053197      3.2416305875
 C     -1.5946071862     -0.2990711017      3.4347425286
 C     -1.5792915779      0.8769402813      3.1285538447
 C     -1.3911205258      1.9628131000      2.3381708022
 C     -0.9193666852      2.6708834336      1.4798573284
 C     -0.4853809379      3.1921797934      0.3381746370
 C     -0.2735613671      3.2436497771     -0.8760248076
 C      0.2058064802      2.8935340813     -2.1380397649
 C      0.6682027567      2.3175959614     -3.0809720629
 C      1.2545436430      1.2300109265     -3.6860619025
 C      1.4706719521      0.0379479278     -3.7375120073
 C      1.4366314651     -1.2893369457     -3.4022401029
 C      1.2832847194     -2.2450380398     -2.7301286192
 C      1.0046779315     -3.1771988269     -1.8126563606
 C      0.6721345727     -3.5417851296     -0.7138745498
 C      0.1636108624     -3.6114671494      0.5516647085
 C     -0.2719869034     -3.2384285118      1.6330512366
18
# ORCA AIMD Position Step 1815, t=1815.00 fs, E_Pot=-685.23673163 Hartree, Unit is Angstrom
 C     -0.8847711647     -2.5419352013      2.6302866827
 C     -1.3042803261     -1.5889449475      3.2343965058
 C     -1.5971678950     -0.3016529103      3.4369057022
 C     -1.5764454918      0.8704140641      3.1275414990
 C     -1.3954268627      1.9616745183      2.3405573899
 C     -0.9176060494      2.6640060953      1.4814655257
 C     -0.4775874733      3.1869140764      0.3382047525
 C     -0.2635439934      3.2528967676     -0.8702273131
 C      0.2108156460      2.8943536540     -2.1262880765
 C      0.6723751775      2.3145940954     -3.0802596309
 C      1.2539389100      1.2394470194     -3.6875765934
 C      1.4700285907      0.0375478739     -3.7410724209
 C      1.4304040536     -1.2896804663     -3.4042314284
 C      1.2806118062     -2.2414305041     -2.7292773058
 C      1.0063009454     -3.1798202848     -1.8151743504
 C      0.6682577409     -3.5422848024     -0.7142549453
 C      0.1594628167     -3.6041411926      0.5473247620
 C     -0.2763575643     -3.2401050278      1.6303127471
18
# ORCA AIMD Position Step 1816, t=1816.00 fs, E_Pot=-685.23788766 Hartree, Unit is Angstrom
 C     -0.8855247298     -2.5429990950      2.6235345753
 C     -1.3055343637     -1.5887324412      3.2274577863
 C     -1.5998353584     -0.3037672690      3.4392691027
 C     -1.5738023604      0.8643057335      3.1262262158
 C     -1.3995746312      1.9600797454      2.3438385162
 C     -0.9161623431      2.6573799731      1.4833338510
 C     -0.4697385317      3.1818682724      0.3363614631
 C     -0.2528614129      3.2617610655     -0.8646780550
 C      0.2151258615      2.8960914344     -2.1130227863
 C      0.6770976583      2.3111576335     -3.0797587507
 C      1.2530695032      1.2482614223     -3.6890632011
 C      1.4691239872      0.0373063991     -3.7446401991
 C      1.4248592871     -1.2866762019     -3.4081758611
 C      1.2777270944     -2.2403799084     -2.7274090472
 C      1.0079634945     -3.1824122314     -1.8174996943
 C      0.6639224567     -3.5431716379     -0.7136688469
 C      0.1553878828     -3.5965948537      0.5432602319
 C     -0.2809421334     -3.2419639406      1.6272604856
18
# ORCA AIMD Position Step 1817, t=1817.00 fs, E_Pot=-685.23866047 Hartree, Unit is Angstrom
 C     -0.8856974415     -2.5449839024      2.6161960753
 C     -1.3069285138     -1.5885557362      3.2208022406
 C     -1.6025953338     -0.3056457164      3.4418675938
 C     -1.5713955628      0.8588924469      3.1245645998
 C     -1.4035273490      1.9580137092      2.3479855379
 C     -0.9149462418      2.6511247112      1.4852243658
 C     -0.4620396640      3.1769626462      0.3333933097
 C     -0.2415009470      3.2702121659     -0.8596920132
 C      0.2191622699      2.8982877951     -2.0991897955
 C      0.6818724419      2.3080108375     -3.0785899301
 C      1.2521658986      1.2556208679     -3.6906722293
 C      1.4678496009      0.0378018326     -3.7481919566
 C      1.4199652926     -1.2806508473     -3.4138543619
 C      1.2746887002     -2.2416055133     -2.7247356185
 C      1.0095800708     -3.1850291629     -1.8194106780
 C      0.6592589705     -3.5443417423     -0.7124572538
 C      0.1514081034     -3.5889434360      0.5394389483
 C     -0.2857349182     -3.2439789009      1.6239463084
18
# ORCA AIMD Position Step 1818, t=1818.00 fs, E_Pot=-685.23864397 Hartree, Unit is Angstrom
 C     -0.8854327623     -2.5476688894      2.6084868176
 C     -1.3084039935     -1.5885530760      3.2143677469
 C     -1.6054304438     -0.3075210773      3.4447250945
 C     -1.5692580133      0.8543790295      3.1225462472
 C     -1.4072208783      1.9555377516      2.3528929350
 C     -0.9138758764      2.6453324981      1.4869107037
 C     -0.4547207119      3.1720871814      0.3301381919
 C     -0.2294547534      3.2782532351     -0.8555782386
 C      0.2233412490      2.9004966590     -2.0857306871
 C      0.6862616119      2.3057921696     -3.0759531609
 C      1.2513936365      1.2609654882     -3.6925214712
 C      1.4661380299      0.0394697527     -3.7517243544
 C      1.4156218552     -1.2724208130     -3.4207419304
 C      1.2716238759     -2.2443764332     -2.7217879599
 C      1.0110563378     -3.1877554771     -1.8206661649
 C      0.6543995350     -3.5456955051     -0.7109610875
 C      0.1475583460     -3.5813110544      0.5357846596
 C     -0.2907373258     -3.2461237812      1.6204480259
18
# ORCA AIMD Position Step 1819, t=1819.00 fs, E_Pot=-685.23794967 Hartree, Unit is Angstrom
 C     -0.8849073369     -2.5507753702      2.6006650371
 C     -1.3098863338     -1.5888852893      3.2080613723
 C     -1.6083223710     -0.3095801733      3.4478468598
 C     -1.5674216131      0.8508563764      3.1202031291
 C     -1.4105634727      1.9527916616      2.3583788898
 C     -0.9128972829      2.6400442299      1.4882274946
 C     -0.4479963980      3.1671270244      0.3273746367
 C     -0.2167307892      3.2859150210     -0.8525526791
 C      0.2280161830      2.9023561814     -2.0734536596
 C      0.6899622251      2.3049444039     -3.0712627816
 C      1.2508260931      1.2640794932     -3.6946693415
 C      1.4639651178      0.0425467024     -3.7552496968
 C      1.4116934896     -1.2630689328     -3.4281528318
 C      1.2686896004     -2.2477240972     -2.7192612262
 C      1.0123078904     -3.1906749821     -1.8210629880
 C      0.6494631952     -3.5471501576     -0.7094799154
 C      0.1438784405     -3.5738209219      0.5321950765
 C     -0.2959526883     -3.2483801735      1.6168484745
18
# ORCA AIMD Position Step 1820, t=1820.00 fs, E_Pot=-685.23705601 Hartree, Unit is Angstrom
 C     -0.8843084859     -2.5540108605      2.5930009840
 C     -1.3113024274     -1.5896980770      3.2017847959
 C     -1.6112504798     -0.3119381491      3.4512127594
 C     -1.5659189912      0.8482789194      3.1176162704
 C     -1.4134401231      1.9499862053      2.3641946522
 C     -0.9119915838      2.6352476012      1.4890883909
 C     -0.4420368936      3.1619830334      0.3256978774
 C     -0.2033668044      3.2932420988     -0.8506600663
 C      0.2334466371      2.9036251125     -2.0629612279
 C      0.6928468913      2.3056498852     -3.0642245069
 C      1.2504286024      1.2651155146     -3.6970921332
 C      1.4613475859      0.0470518507     -3.7587924220
 C      1.4080418143     -1.2537198116     -3.4353880391
 C      1.2660323334     -2.2506767600     -2.7178415072
 C      1.0132787059     -3.1938291341     -1.8204875694
 C      0.6445476345     -3.5486456802     -0.7082524358
 C      0.1404047986     -3.5665888442      0.5285658204
 C     -0.3013808306     -3.2507414727      1.6132203078
18
# ORCA AIMD Position Step 1821, t=1821.00 fs, E_Pot=-685.23637218 Hartree, Unit is Angstrom
 C     -0.8838187392     -2.5571011799      2.5857557216
 C     -1.3125932133     -1.5910977724      3.1954577517
 C     -1.6141909559     -0.3146206450      3.4547725496
 C     -1.5647839796      0.8464624979      3.1149166370
 C     -1.4157202291      1.9473867903      2.3700440666
 C     -0.9111799412      2.6308803730      1.4894982459
 C     -0.4369411167      3.1565957463      0.3254227782
 C     -0.1894468632      3.3002772597     -0.8497222074
 C      0.2397871102      2.9041924866     -2.0546244340
 C      0.6949595839      2.3078367662     -3.0548479174
 C      1.2500709684      1.2645457040     -3.6996851631
 C      1.4583366254      0.0527908736     -3.7623843575
 C      1.4045484505     -1.2453654108     -3.4418410852
 C      1.2637639237     -2.2524293013     -2.7180800567
 C      1.0139473143     -3.1971926796     -1.8189451173
 C      0.6397344092     -3.5501461891     -0.7074596635
 C      0.1371576152     -3.5597175965      0.5248290550
 C     -0.3070073286     -3.2532198161      1.6096009892
18
# ORCA AIMD Position Step 1822, t=1822.00 fs, E_Pot=-685.23600578 Hartree, Unit is Angstrom
 C     -0.8835968256     -2.5598236509      2.5791601902
 C     -1.3137250009     -1.5931271385      3.1890365517
 C     -1.6171161431     -0.3175683558      3.4584481889
 C     -1.5640528980      0.8451107950      3.1122728857
 C     -1.4172710497      1.9452808489      2.3756125532
 C     -0.9105141236      2.6268485727      1.4895378249
 C     -0.4327263909      3.1509588101      0.3265523961
 C     -0.1751072856      3.3070437076     -0.8493375186
 C      0.2470758056      2.9040882204     -2.0485559655
 C      0.6965002598      2.3111995631     -3.0434444482
 C      1.2495514171      1.2630881918     -3.7022762044
 C      1.4550092942      0.0593731743     -3.7660574752
 C      1.4011281459     -1.2387566424     -3.4470594388
 C      1.2619474213     -2.2524434587     -2.7203192927
 C      1.0143331352     -3.2006572927     -1.8165722072
 C      0.6350890262     -3.5516358834     -0.7072296316
 C      0.1341334568     -3.5532946489      0.5209755569
 C     -0.3127984371     -3.2558453404      1.6059844982
18
# ORCA AIMD Position Step 1823, t=1823.00 fs, E_Pot=-685.23574510 Hartree, Unit is Angstrom
 C     -0.8837664251     -2.5620248524      2.5733973617
 C     -1.3146965400     -1.5957539358      3.1825263474
 C     -1.6199931440     -0.3206597613      3.4621385925
 C     -1.5637619131      0.8438621676      3.1098721485
 C     -1.4179747317      1.9439385690      2.3806052306
 C     -0.9100654650      2.6230440115      1.4893441074
 C     -0.4293286312      3.1451225148      0.3288105326
 C     -0.1605278995      3.3135367887     -0.8489402058
 C      0.2552299293      2.9034876014     -2.0445923321
 C      0.6977936470      2.3152503947     -3.0305987630
 C      1.2486348528      1.2615920501     -3.7046536120
 C      1.4514574598      0.0662534775     -3.7698395660
 C      1.3977326046     -1.2343474397     -3.4507696175
 C      1.2605934920     -2.2504856813     -2.7246651908
 C      1.0144948839     -3.2040301526     -1.8136293695
 C      0.6306659914     -3.5531154483     -0.7076540980
 C      0.1313004254     -3.5473906328      0.5170685450
 C     -0.3187016582     -3.2586641344      1.6023211202
18
# ORCA AIMD Position Step 1824, t=1824.00 fs, E_Pot=-685.23530363 Hartree, Unit is Angstrom
 C     -0.8844078871     -2.5636384355      2.5685866728
 C     -1.3155385144     -1.5988738033      3.1759801339
 C     -1.6227906093     -0.3237332240      3.4657333489
 C     -1.5639422285      0.8423425630      3.1078962901
 C     -1.4177458191      1.9435746460      2.3847868892
 C     -0.9099067002      2.6193640879      1.4890781604
 C     -0.4266158207      3.1391870338      0.3317155107
 C     -0.1459102241      3.3197203584     -0.8478861472
 C      0.2640472163      2.9027131900     -2.0422862978
 C      0.6992508281      2.3193811119     -3.0171161030
 C      1.2470989692      1.2608834531     -3.7066091156
 C      1.4477712975      0.0728273610     -3.7737479419
 C      1.3943505298     -1.2322720475     -3.4528880066
 C      1.2596630205     -2.2466314187     -2.7309897215
 C      1.0145212156     -3.2070568033     -1.8104730939
 C      0.6265109862     -3.5545940935     -0.7087981495
 C      0.1285980931     -3.5420595293      0.5132374097
 C     -0.3246501177     -3.2617284213      1.5985245372
18
# ORCA AIMD Position Step 1825, t=1825.00 fs, E_Pot=-685.23455998 Hartree, Unit is Angstrom
 C     -0.8855480145     -2.5646918948      2.5647669253
 C     -1.3163211127     -1.6023041495      3.1695051736
 C     -1.6254743584     -0.3266422893      3.4691201090
 C     -1.5646176065      0.8402423286      3.1064921767
 C     -1.4165455121      1.9443009646      2.3880225338
 C     -0.9100931412      2.6157381168      1.4888821267
 C     -0.4244171430      3.1332775321      0.3347129074
 C     -0.1314435565      3.3255324617     -0.8455834765
 C      0.2732280563      2.9022112592     -2.0409432143
 C      0.7013294539      2.3229248697     -3.0039449228
 C      1.2447623585      1.2616519486     -3.7079567109
 C      1.4440247294      0.0785192031     -3.7777932557
 C      1.3910047323     -1.2323396785     -3.4535207863
 C      1.2590718709     -2.2412538041     -2.7389474839
 C      1.0145229921     -3.2094368992     -1.8075232972
 C      0.6226564148     -3.5560913524     -0.7106986993
 C      0.1259573613     -3.5373431123      0.5096292934
 C     -0.3305857452     -3.2650852225      1.5945152687
18
# ORCA AIMD Position Step 1826, t=1826.00 fs, E_Pot=-685.23366122 Hartree, Unit is Angstrom
 C     -0.8871613435     -2.5653062079      2.5618933753
 C     -1.3171423974     -1.6058089251      3.1632470311
 C     -1.6280168779     -0.3292748473      3.4722010292
 C     -1.5657978635      0.8373646085      3.1057472967
 C     -1.4143910614      1.9461020861      2.3903051106
 C     -0.9106469812      2.6121422679      1.4888441265
 C     -0.4225548611      3.1275248635      0.3372865198
 C     -0.1172828178      3.3308967347     -0.8415700320
 C      0.2824292751      2.9024907013     -2.0397342747
 C      0.7044669932      2.3252543541     -2.9920438477
 C      1.2415208531      1.2643039286     -3.7085698636
 C      1.4402579438      0.0829084070     -3.7819702966
 C      1.3877493119     -1.2340495070     -3.4529631501
 C      1.2587022472     -2.2349884003     -2.7480088801
 C      1.0146156537     -3.2108669951     -1.8052128414
 C      0.6191205209     -3.5576290826     -0.7133641954
 C      0.1233116768     -3.5332758292      0.5063772057
 C     -0.3364700352     -3.2687606424      1.5902429193
18
# ORCA AIMD Position Step 1827, t=1827.00 fs, E_Pot=-685.23293804 Hartree, Unit is Angstrom
 C     -0.8891756298     -2.5656835294      2.5598448734
 C     -1.3181211063     -1.6091139618      3.1573817176
 C     -1.6303954102     -0.3315808215      3.4749013857
 C     -1.5674791842      0.8336675421      3.1056785977
 C     -1.4113597044      1.9488195214      2.3917620878
 C     -0.9115412559      2.6086136656      1.4889670443
 C     -0.4208791848      3.1220434699      0.3390607602
 C     -0.1035306887      3.3357338682     -0.8355824913
 C      0.2913301084      2.9040358179     -2.0378563651
 C      0.7090095434      2.3258824290     -2.9822224439
 C      1.2373629822      1.2688845770     -3.7083956549
 C      1.4364682495      0.0858131888     -3.7862572711
 C      1.3846648856     -1.2366374248     -3.4516762400
 C      1.2584139259     -2.2286841719     -2.7575021476
 C      1.0149055628     -3.2110678525     -1.8039439750
 C      0.6159077119     -3.5592266090     -0.7167753180
 C      0.1206188797     -3.5298929056      0.5035502818
 C     -0.3422990973     -3.2727491037      1.5857210489
18
# ORCA AIMD Position Step 1828, t=1828.00 fs, E_Pot=-685.23272472 Hartree, Unit is Angstrom
 C     -0.8914841375     -2.5660776648      2.5584447493
 C     -1.3193845766     -1.6119374970      3.1520990583
 C     -1.6325918869     -0.3335829802      3.4771718163
 C     -1.5696416483      0.8292768060      3.1062287039
 C     -1.4075854789      1.9521600875      2.3926502202
 C     -0.9126980836      2.6052538267      1.4891540556
 C     -0.4192931549      3.1169163853      0.3398652711
 C     -0.0902345600      3.3399744690     -0.8275841288
 C      0.2997106044      2.9071963645     -2.0347208595
 C      0.7151337852      2.3245749205     -2.9749688611
 C      1.2323761953      1.2750577191     -3.7074679413
 C      1.4326104069      0.0873236845     -3.7906134865
 C      1.3818487165     -1.2391711125     -3.4502328469
 C      1.2580612779     -2.2233126852     -2.7666840728
 C      1.0154744050     -3.2098134722     -1.8040393594
 C      0.6130130727     -3.5608933191     -0.7208951879
 C      0.1178758658     -3.5272371529      0.5011251939
 C     -0.3481071002     -3.2770081996      1.5810435490
18
# ORCA AIMD Position Step 1829, t=1829.00 fs, E_Pot=-685.23312757 Hartree, Unit is Angstrom
 C     -0.8939671676     -2.5667521807      2.5574936200
 C     -1.3210487494     -1.6140297305      3.1475785915
 C     -1.6345945230     -0.3353723442      3.4789908744
 C     -1.5722487438      0.8244700217      3.1072771358
 C     -1.4032485532      1.9557281616      2.3933233959
 C     -0.9139938474      2.6022182825      1.4892183319
 C     -0.4177699482      3.1121856781      0.3397664618
 C     -0.0773871243      3.3435704842     -0.8177722095
 C      0.3075127533      2.9120936008     -2.0301112563
 C      0.7227856296      2.3214417183     -2.9703110841
 C      1.2267393718      1.2821554337     -3.7059129231
 C      1.4286082200      0.0877696151     -3.7949816376
 C      1.3793984708     -1.2407024396     -3.4492259571
 C      1.2575136017     -2.2198206507     -2.7748412229
 C      1.0163658058     -3.2069590373     -1.8057022156
 C      0.6104295915     -3.5626203241     -0.7256800809
 C      0.1151236108     -3.5253599537      0.4989778781
 C     -0.3539585469     -3.2814617664      1.5763793066
18
# ORCA AIMD Position Step 1830, t=1830.00 fs, E_Pot=-685.23398908 Hartree, Unit is Angstrom
 C     -0.8965176198     -2.5679298215      2.5568076856
 C     -1.3231966755     -1.6152201076      3.1439600267
 C     -1.6363996958     -0.3370889462      3.4803644841
 C     -1.5752487671      0.8196350661      3.1086600255
 C     -1.3985543952      1.9590798211      2.3941791760
 C     -0.9152804328      2.5996875556      1.4889219630
 C     -0.4163567175      3.1078492421      0.3390619888
 C     -0.0649266000      3.3465055883     -0.8065638908
 C      0.3148555060      2.9185863632     -2.0242241284
 C      0.7316731973      2.3169567255     -2.9677910727
 C      1.2207002324      1.2892929470     -3.7039436954
 C      1.4243746664      0.0876316253     -3.7992946121
 C      1.3773901827     -1.2404653964     -3.4491423247
 C      1.2566794802     -2.2189350064     -2.7814284387
 C      1.0175748773     -3.2024624839     -1.8089839106
 C      0.6081544355     -3.5643754276     -0.7310934864
 C      0.1124403900     -3.5243157123      0.4969008964
 C     -0.3599335135     -3.2860118917      1.5719433589
18
# ORCA AIMD Position Step 1831, t=1831.00 fs, E_Pot=-685.23502394 Hartree, Unit is Angstrom
 C     -0.8990654999     -2.5697461528      2.5562530572
 C     -1.3258606201     -1.6154594174      3.1413159712
 C     -1.6380136515     -0.3388891245      3.4813204581
 C     -1.5785780163      0.8152090886      3.1101952054
 C     -1.3937022367      1.9617912515      2.3955927420
 C     -0.9164192987      2.5978237732      1.4880392187
 C     -0.4151648625      3.1038644773      0.3382337131
 C     -0.0527379188      3.3487993220     -0.7945557585
 C      0.3219958733      2.9263189441     -2.0175778543
 C      0.7413254558      2.3118835635     -2.9665717848
 C      1.2145393364      1.2955233222     -3.7018374528
 C      1.4198313848      0.0874241849     -3.8034873499
 C      1.3758557303     -1.2380623396     -3.4502421679
 C      1.2555304121     -2.2209750273     -2.7862004293
 C      1.0190439624     -3.1963968200     -1.8137687557
 C      0.6061934567     -3.5661036398     -0.7371166747
 C      0.1099237743     -3.5241525454      0.4946423231
 C     -0.3661086066     -3.2905565886      1.5679500031
18
# ORCA AIMD Position Step 1832, t=1832.00 fs, E_Pot=-685.23595597 Hartree, Unit is Angstrom
 C     -0.9015935461     -2.5722228574      2.5557691655
 C     -1.3290127113     -1.6148409128      3.1396350856
 C     -1.6394518946     -0.3409029837      3.4819024786
 C     -1.5821699168      0.8116066981      3.1117127139
 C     -1.3888502798      1.9635249612      2.3978424381
 C     -0.9173160032      2.5967249371      1.4864300285
 C     -0.4143469443      3.1001622711      0.3378597893
 C     -0.0406618122      3.3505020532     -0.7824513149
 C      0.3292546459      2.9348241414     -2.0108388043
 C      0.7511955080      2.3071253786     -2.9656362821
 C      1.2085264199      1.2999980153     -3.6998960547
 C      1.4149244520      0.0875846584     -3.8075076444
 C      1.3747707417     -1.2335660358     -3.4524967698
 C      1.2541125774     -2.2257440774     -2.7892837128
 C      1.0206677294     -3.1889510255     -1.8197859458
 C      0.6045584083     -3.5677316493     -0.7437447765
 C      0.1076678067     -3.5249013739      0.4919551776
 C     -0.3725363022     -3.2950093085      1.5645603530
18
# ORCA AIMD Position Step 1833, t=1833.00 fs, E_Pot=-685.23664849 Hartree, Unit is Angstrom
 C     -0.9041378677     -2.5752691807      2.5553709444
 C     -1.3325690309     -1.6135918789      3.1388256768
 C     -1.6407368404     -0.3431956035      3.4821570844
 C     -1.5859617748      0.8091568337      3.1130797241
 C     -1.3840922516      1.9640798236      2.4010559124
 C     -0.9179498024      2.5963850640      1.4841040165
 C     -0.4140586985      3.0966727576      0.3384928487
 C     -0.0285184290      3.3516804292     -0.7709580460
 C      0.3369401928      2.9436359926     -2.0046425114
 C      0.7607726168      2.3035457872     -2.9640093737
 C      1.2028755164      1.3021119267     -3.6983918723
 C      1.4096330733      0.0883875902     -3.8113228447
 C      1.3740602223     -1.2274855176     -3.4556141712
 C      1.2525422021     -2.2325578705     -2.7911549087
 C      1.0223055566     -3.1804171932     -1.8266402534
 C      0.6032595936     -3.5691785006     -0.7509719329
 C      0.1057413383     -3.5265679792      0.4886455800
 C     -0.3792276455     -3.2993129484      1.5618393041
18
# ORCA AIMD Position Step 1834, t=1834.00 fs, E_Pot=-685.23712978 Hartree, Unit is Angstrom
 C     -0.9067750348     -2.5787075773      2.5551298062
 C     -1.3364048878     -1.6120395471      3.1387364599
 C     -1.6418978597     -0.3457382838      3.4821203253
 C     -1.5898955993      0.8080557207      3.1142135293
 C     -1.3794469089      1.9634104358      2.4051959072
 C     -0.9183925691      2.5966807326      1.4812537342
 C     -0.4144092785      3.0933549427      0.3405244462
 C     -0.0161470637      3.3523968472     -0.7606718584
 C      0.3452943967      2.9523719416     -1.9994624878
 C      0.7696717801      2.3018096770     -2.9609421345
 C      1.1977072582      1.3016114949     -3.6975076971
 C      1.4039735331      0.0898962804     -3.8149221558
 C      1.3736182126     -1.2206150502     -3.4591367782
 C      1.2509831275     -2.2403923930     -2.7925393961
 C      1.0237987571     -3.1711666712     -1.8338572354
 C      0.6022983707     -3.5703682528     -0.7587696860
 C      0.1041703905     -3.5291283103      0.4846093055
 C     -0.3861410382     -3.3034461435      1.5597323386
18
# ORCA AIMD Position Step 1835, t=1835.00 fs, E_Pot=-685.23746973 Hartree, Unit is Angstrom
 C     -0.9096003487     -2.5823198823      2.5551445343
 C     -1.3403769311     -1.6105568336      3.1391849760
 C     -1.6429660546     -0.3483989512      3.4818109112
 C     -1.5939238280      0.8083423207      3.1150922258
 C     -1.3748679354      1.9616157229      2.4100711146
 C     -0.9187970527      2.5973835841      1.4782463077
 C     -0.4154193058      3.0902244488      0.3440794491
 C     -0.0034467487      3.3526893403     -0.7519760662
 C      0.3544622495      2.9607803122     -1.9955512140
 C      0.7776829479      2.3022744696     -2.9560200324
 C      1.1930290118      1.2986470809     -3.6972900800
 C      1.3979964507      0.0919525922     -3.8183165907
 C      1.3733317879     -1.2138415662     -3.4625653837
 C      1.2496209995     -2.2480839666     -2.7942710144
 C      1.0249890585     -3.1616190646     -1.8409336206
 C      0.6016573905     -3.5712399756     -0.7670660149
 C      0.1029323572     -3.5325275286      0.4798461628
 C     -0.3931825543     -3.3074199653      1.5580670682
18
# ORCA AIMD Position Step 1836, t=1836.00 fs, E_Pot=-685.23768776 Hartree, Unit is Angstrom
 C     -0.9127044646     -2.5858942311      2.5555073023
 C     -1.3443455794     -1.6095064612      3.1399888801
 C     -1.6439721749     -0.3509561196      3.4812275613
 C     -1.5980092475      0.8098987808      3.1157521725
 C     -1.3702676872      1.9589072110      2.4153826912
 C     -0.9193736234      2.5981931086      1.4755774019
 C     -0.4169930204      3.0873687269      0.3489646303
 C      0.0095925248      3.3525594206     -0.7449834698
 C      0.3644889542      2.9687510044     -1.9929278404
 C      0.7847783544      2.3049549621     -2.9492008199
 C      1.1887396331      1.2937585341     -3.6976335692
 C      1.3917812828      0.0942015749     -3.8215354579
 C      1.3731000349     -1.2079786628     -3.4654609792
 C      1.2486358948     -2.2545211564     -2.7971553493
 C      1.0257368757     -3.1521972444     -1.8473968833
 C      0.6012967603     -3.5717563283     -0.7757352878
 C      0.1019568295     -3.5366843299      0.4744586816
 C     -0.4002153562     -3.3112706638      1.5565761132
18
# ORCA AIMD Position Step 1837, t=1837.00 fs, E_Pot=-685.23781086 Hartree, Unit is Angstrom
 C     -0.9161543877     -2.5892633958      2.5562762600
 C     -1.3481936566     -1.6091918784      3.1409909360
 C     -1.6449436183     -0.3531316779      3.4803503085
 C     -1.6021261298      0.8124711683      3.1162821770
 C     -1.3655448716      1.9555656212      2.4207833147
 C     -0.9203527093      2.5987870852      1.4737945666
 C     -0.4189195533      3.0849403935      0.3546953125
 C      0.0228801672      3.3519726544     -0.7395346848
 C      0.3753264629      2.9763113160     -1.9914000379
 C      0.7910896100      2.3095516559     -2.9407851645
 C      1.1846578837      1.2877805880     -3.6983028677
 C      1.3854259782      0.0961525297     -3.8246221209
 C      1.3728463641     -1.2036521284     -3.4675117708
 C      1.2481787042     -2.2588010994     -2.8018536871
 C      1.0259374971     -3.1432766585     -1.8528638801
 C      0.6011552515     -3.5719067617     -0.7846028000
 C      0.1011325048     -3.5414971616      0.4686374354
 C     -0.4070758566     -3.3150480526      1.5549336441
18
# ORCA AIMD Position Step 1838, t=1838.00 fs, E_Pot=-685.23799522 Hartree, Unit is Angstrom
 C     -0.9199818673     -2.5923287196      2.5574584875
 C     -1.3518386319     -1.6098241905      3.1420753038
 C     -1.6459022970     -0.3546343462      3.4791457625
 C     -1.6062605207      0.8157053620      3.1168121883
 C     -1.3606100246      1.9518964786      2.4259356982
 C     -0.9219430296      2.5988746054      1.4734073912
 C     -0.4209039486      3.0831311137      0.3605936645
 C      0.0362384084      3.3508716057     -0.7352536184
 C      0.3868497257      2.9836084463     -1.9906055974
 C      0.7968626618      2.3155304441     -2.9313407120
 C      1.1805681255      1.2816838474     -3.6989853200
 C      1.3790329998      0.0972739283     -3.8276279442
 C      1.3725243937     -1.2012399757     -3.4685634235
 C      1.2483503265     -2.2603414113     -2.8087923852
 C      1.0255352810     -3.1351325661     -1.8570983249
 C      0.6011559799     -3.5717066472     -0.7934590708
 C      0.1003187069     -3.5468529382      0.4626377861
 C     -0.4135927269     -3.3188041971      1.5527980247
18
# ORCA AIMD Position Step 1839, t=1839.00 fs, E_Pot=-685.23851443 Hartree, Unit is Angstrom
 C     -0.9241785597     -2.5950709261      2.5590025400
 C     -1.3552370262     -1.6115066713      3.1431745656
 C     -1.6468637021     -0.3552025259      3.4775749842
 C     -1.6104091806      0.8191896034      3.1174994473
 C     -1.3554044946      1.9481933572      2.4305588794
 C     -0.9242928065      2.5982445662      1.4748002093
 C     -0.4226194594      3.0821326767      0.3659264633
 C      0.0494327617      3.3491940203     -0.7316399663
 C      0.3988791774      2.9908790583     -1.9900678629
 C      0.8024016911      2.3222296414     -2.9215957148
 C      1.1762692953      1.2763859632     -3.6993580452
 C      1.3726946877      0.0971099655     -3.8306032265
 C      1.3721185354     -1.2008485459     -3.4686274486
 C      1.2491881952     -2.2589505836     -2.8181005680
 C      1.0245326166     -3.1278996609     -1.8600530123
 C      0.6012114763     -3.5711941180     -0.8020744114
 C      0.0993598731     -3.5526356693      0.4567511994
 C     -0.4196041458     -3.3225816451      1.5498519534
18
# ORCA AIMD Position Step 1840, t=1840.00 fs, E_Pot=-685.23951382 Hartree, Unit is Angstrom
 C     -0.9286967674     -2.5975442404      2.5607995932
 C     -1.3583853868     -1.6142286153      3.1442709977
 C     -1.6478334623     -0.3546504572      3.4755995964
 C     -1.6145763045      0.8225109233      3.1185074159
 C     -1.3499156613      1.9446967928      2.4344703897
 C     -0.9274544981      2.5968082416      1.4781481637
 C     -0.4237712656      3.0820929648      0.3700606774
 C      0.0622074407      3.3468953186     -0.7281638656
 C      0.4112110939      2.9984030488     -1.9892771387
 C      0.8080166006      2.3289630039     -2.9123284103
 C      1.1716168169      1.2725698854     -3.6991417087
 C      1.3664744974      0.0954028523     -3.8335835475
 C      1.3716454741     -1.2022811008     -3.4678950272
 C      1.2506576632     -2.2548802344     -2.8295650591
 C      1.0229921911     -3.1215544946     -1.8618867400
 C      0.6012311675     -3.5704270525     -0.8102125010
 C      0.0981035246     -3.5587341016      0.4512684546
 C     -0.4249768689     -3.3264051067      1.5458453737
18
# ORCA AIMD Position Step 1841, t=1841.00 fs, E_Pot=-685.24074603 Hartree, Unit is Angstrom
 C     -0.9334527209     -2.5998657825      2.5626883635
 C     -1.3613153004     -1.6178736807      3.1453893890
 C     -1.6488058775     -0.3529129051      3.4731913273
 C     -1.6187710644      0.8253115754      3.1199862127
 C     -1.3441848656      1.9415667583      2.4376109700
 C     -0.9313599576      2.5946291616      1.4833591277
 C     -0.4241551527      3.0830781047      0.3725923855
 C      0.0743264035      3.3439625884     -0.7243608047
 C      0.4236575598      3.0064407315     -1.9877822509
 C      0.8139698285      2.3351251671     -2.9042395600
 C      1.1665463554      1.2705666982     -3.6981419051
 C      1.3603953546      0.0921785230     -3.8365802288
 C      1.3711550031     -1.2050283246     -3.4667393305
 C      1.2526513883     -2.2488296960     -2.8426331426
 C      1.0210291422     -3.1159314863     -1.8629394661
 C      0.6011242929     -3.5694781596     -0.8176414110
 C      0.0964245551     -3.5650503419      0.4464335561
 C     -0.4296290778     -3.3302700263      1.5406396459
18
# ORCA AIMD Position Step 1842, t=1842.00 fs, E_Pot=-685.24163605 Hartree, Unit is Angstrom
 C     -0.9383364226     -2.6022049454      2.5644685634
 C     -1.3640863961     -1.6222400444      3.1465883553
 C     -1.6497690177     -0.3500627947      3.4703418836
 C     -1.6229994197      0.8273417481      3.1220480526
 C     -1.3383082957      1.9388552449      2.4400620128
 C     -0.9358234739      2.5919235625      1.4900700945
 C     -0.4236882697      3.0850602590      0.3734050092
 C      0.0856084270      3.3404183633     -0.7198941410
 C      0.4360846296      3.0151718113     -1.9852786276
 C      0.8204333786      2.3402884225     -2.8978315116
 C      1.1610781796      1.2703135568     -3.6962728506
 C      1.3544371700      0.0877633886     -3.8395769419
 C      1.3707241397     -1.2083006967     -3.4656900285
 C      1.2550062318     -2.2418703839     -2.8564854817
 C      1.0187890224     -3.1107751899     -1.8636622030
 C      0.6008040991     -3.5684234079     -0.8241448900
 C      0.0942417836     -3.5715088220      0.4424006158
 C     -0.4335382869     -3.3341374603      1.5342261684
18
# ORCA AIMD Position Step 1843, t=1843.00 fs, E_Pot=-685.24165914 Hartree, Unit is Angstrom
 C     -0.9432229890     -2.6047599665      2.5659131607
 C     -1.3667789711     -1.6270633895      3.1479498226
 C     -1.6507027300     -0.3463359603      3.4670645580
 C     -1.6272632861      0.8285046404      3.1247539928
 C     -1.3324306136      1.9364954627      2.4420435852
 C     -0.9405568658      2.5890466567      1.4976762928
 C     -0.4224247636      3.0879152013      0.3726941254
 C      0.0959535570      3.3363241264     -0.7145967706
 C      0.4484493693      3.0246412611     -1.9816792876
 C      0.8274659533      2.3442557453     -2.8933339706
 C      1.1552992735      1.2714164785     -3.6935457877
 C      1.3485415682      0.0827402431     -3.8425361470
 C      1.3704485429     -1.2111207178     -3.4653770451
 C      1.2575272302     -2.2353122064     -2.8701536107
 C      1.0164208012     -3.1058011073     -1.8645284446
 C      0.6001971991     -3.5673324620     -0.8295461964
 C      0.0915346082     -3.5780624117      0.4391978871
 C     -0.4367570701     -3.3379331648      1.5267468011
18
# ORCA AIMD Position Step 1844, t=1844.00 fs, E_Pot=-685.24081890 Hartree, Unit is Angstrom
 C     -0.9479911557     -2.6077255070      2.5667945475
 C     -1.3694780858     -1.6320614751      3.1495582445
 C     -1.6515828664     -0.3421249480      3.4633993482
 C     -1.6315566648      0.8288789305      3.1281047844
 C     -1.3267298655      1.9343147484      2.4438856925
 C     -0.9452112967      2.5864448251      1.5054196975
 C     -0.4205426561      3.0914450002      0.3709236371
 C      0.1053589904      3.3317738637     -0.7084900317
 C      0.4608105607      3.0347390610     -1.9771326951
 C      0.8350095366      2.3470816099     -2.8906744091
 C      1.1493371863      1.2732719944     -3.6900516425
 C      1.3426271550      0.0778414349     -3.8454118333
 C      1.3704252457     -1.2124996952     -3.4664274213
 C      1.2600212057     -2.2304811147     -2.8826870311
 C      1.0140457736     -3.1007623753     -1.8659340834
 C      0.5992551106     -3.5662526500     -0.8337378365
 C      0.0883489947     -3.5846959176      0.4367123813
 C     -0.4394120016     -3.3415517000      1.5184868754
18
# ORCA AIMD Position Step 1845, t=1845.00 fs, E_Pot=-685.23972534 Hartree, Unit is Angstrom
 C     -0.9525386960     -2.6112599599      2.5669079798
 C     -1.3722568850     -1.6369767414      3.1514788437
 C     -1.6523845485     -0.3379541056      3.4594131104
 C     -1.6358633253      0.8287085587      3.1320426670
 C     -1.3213941542      1.9320771557      2.4459692344
 C     -0.9494292476      2.5845879409      1.5125081804
 C     -0.4183138655      3.0954089450      0.3687468443
 C      0.1139200319      3.3268841357     -0.7017806813
 C      0.4733072731      3.0452214418     -1.9719748868
 C      0.8429142293      2.3490335030     -2.8895234524
 C      1.1433305212      1.2752200417     -3.6859312752
 C      1.3366089951      0.0738226306     -3.8481649308
 C      1.3707278001     -1.2116870622     -3.4693239593
 C      1.2623349136     -2.2284379778     -2.8933393508
 C      1.0117331151     -3.0955016507     -1.8681198427
 C      0.5979644397     -3.5651954827     -0.8367061810
 C      0.0847946144     -3.5914244308      0.4346956915
 C     -0.4416945123     -3.3448619572      1.5098565891
18
# ORCA AIMD Position Step 1846, t=1846.00 fs, E_Pot=-685.23910138 Hartree, Unit is Angstrom
 C     -0.9567978615     -2.6154488658      2.5661025570
 C     -1.3751597242     -1.6416206684      3.1537336691
 C     -1.6530852339     -0.3344250101      3.4551966356
 C     -1.6401589019      0.8283504368      3.1364680345
 C     -1.3165858698      1.9295626242      2.4486301735
 C     -0.9529006698      2.5838867102      1.5182485479
 C     -0.4160648437      3.0995557677      0.3669112269
 C      0.1218097489      3.3217851395     -0.6948204465
 C      0.4861219410      3.0557545935     -1.9666565847
 C      0.8509757987      2.3505155200     -2.8893855579
 C      1.1374056086      1.2766793129     -3.6813443006
 C      1.3304156909      0.0713637442     -3.8507760295
 C      1.3713820573     -1.2084246865     -3.4742671785
 C      1.2643871674     -2.2297133291     -2.9017299919
 C      1.0094869368     -3.0899824750     -1.8711246162
 C      0.5963546153     -3.5641299713     -0.8385478738
 C      0.0810280697     -3.5982826383      0.4328049804
 C     -0.4438364898     -3.3477224079      1.5013420749
18
# ORCA AIMD Position Step 1847, t=1847.00 fs, E_Pot=-685.23923950 Hartree, Unit is Angstrom
 C     -0.9607446243     -2.6202802333      2.5643004932
 C     -1.3781896275     -1.6459020562      3.1562865827
 C     -1.6536665090     -0.3321418285      3.4508524200
 C     -1.6444141007      0.8281957590      3.1412647077
 C     -1.3124068926      1.9266489225      2.4520604140
 C     -0.9554129849      2.5846124831      1.5221694942
 C     -0.4141255617      3.1036544736      0.3661453728
 C      0.1292440752      3.3166086960     -0.6880475587
 C      0.4994304802      3.0659740228     -1.9616432415
 C      0.8589764450      2.3519761185     -2.8897091033
 C      1.1316607667      1.2772526707     -3.6764405537
 C      1.3240039935      0.0709778464     -3.8532523477
 C      1.3723553085     -1.2030708636     -3.4811093887
 C      1.2661823689     -2.2341684259     -2.9079131842
 C      1.0072492263     -3.0842928300     -1.8747863297
 C      0.5944963450     -3.5629866439     -0.8394635321
 C      0.0772270325     -3.6053092808      0.4306636691
 C     -0.4460783012     -3.3499970312      1.4934476426
18
# ORCA AIMD Position Step 1848, t=1848.00 fs, E_Pot=-685.23990214 Hartree, Unit is Angstrom
 C     -0.9643998940     -2.6256364799      2.5615085486
 C     -1.3813065309     -1.6498392665      3.1590383190
 C     -1.6541151448     -0.3316157054      3.4464775633
 C     -1.6485993537      0.8285732278      3.1463280588
 C     -1.3088725540      1.9233759232      2.4562355856
 C     -0.9568837752      2.5868376043      1.5241086396
 C     -0.4127715287      3.1075216844      0.3670378212
 C      0.1364354248      3.3114729707     -0.6818974705
 C      0.5133632382      3.0755403685     -1.9573274851
 C      0.8667209788      2.3538218246     -2.8899887902
 C      1.1261553430      1.2767965160     -3.6713339716
 C      1.3173667249      0.0729378888     -3.8556269013
 C      1.3735661378     -1.1965216431     -3.4893992369
 C      1.2677992837     -2.2410541845     -2.9123321558
 C      1.0049160339     -3.0786235002     -1.8787820030
 C      0.5924891484     -3.5616729529     -0.8397284889
 C      0.0735565754     -3.6125298182      0.4279381411
 C     -0.4486316499     -3.3515770421      1.4866181494
18
# ORCA AIMD Position Step 1849, t=1849.00 fs, E_Pot=-685.24066168 Hartree, Unit is Angstrom
 C     -0.9678263086     -2.6313094972      2.5578149668
 C     -1.3844333949     -1.6535520115      3.1618354971
 C     -1.6544242479     -0.3331705851      3.4421435107
 C     -1.6526903746      0.8296591133      3.1515911963
 C     -1.3059075951      1.9199599323      2.4609023863
 C     -0.9573673668      2.5904203222      1.5242351177
 C     -0.4121658510      3.1110456654      0.3699264785
 C      0.1435438886      3.3064669890     -0.6767031674
 C      0.5279841642      3.0841861613     -1.9539655516
 C      0.8740653077      2.3563516646     -2.8898417790
 C      1.1209026660      1.2754501775     -3.6660816481
 C      1.3105348684      0.0772217748     -3.8579517602
 C      1.3749068833     -1.1899577923     -3.4985176268
 C      1.2693613753     -2.2492395285     -2.9156778059
 C      1.0023623106     -3.0732270899     -1.8826987538
 C      0.5904442996     -3.5600919393     -0.8396495574
 C      0.0701308005     -3.6199418158      0.4244124115
 C     -0.4516413267     -3.3524026122      1.4811596537
18
# ORCA AIMD Position Step 1850, t=1850.00 fs, E_Pot=-685.24118805 Hartree, Unit is Angstrom
 C     -0.9711176409     -2.6370340849      2.5533729453
 C     -1.3874713615     -1.6572345400      3.1644917545
 C     -1.6545936894     -0.3368808872      3.4378819455
 C     -1.6566698143      0.8314241887      3.1570369469
 C     -1.3033676328      1.9167509554      2.4656342868
 C     -0.9570336939      2.5950410969      1.5229995454
 C     -0.4123167750      3.1141996512      0.3748267578
 C      0.1506393367      3.3016397905     -0.6726175088
 C      0.5432865324      3.0917448310     -1.9516433524
 C      0.8809312126      2.3597240262     -2.8890509499
 C      1.1158712242      1.2736186041     -3.6606744559
 C      1.3035743128      0.0834898159     -3.8602885406
 C      1.3762674286     -1.1845425327     -3.5078357409
 C      1.2710033333     -2.2574944143     -2.9187142591
 C      0.9994682022     -3.0683665506     -1.8861189612
 C      0.5884643151     -3.5581610318     -0.8395177247
 C      0.0669842949     -3.6275055908      0.4200426526
 C     -0.4551577835     -3.3524791262      1.4771799734
18
# ORCA AIMD Position Step 1851, t=1851.00 fs, E_Pot=-685.24132110 Hartree, Unit is Angstrom
 C     -0.9743812977     -2.6425296805      2.5483740121
 C     -1.3903184369     -1.6611162212      3.1668142004
 C     -1.6546298432     -0.3425611893      3.4336823898
 C     -1.6605238372      0.8336378892      3.1626909636
 C     -1.3010785990      1.9141495304      2.4699346059
 C     -0.9561284838      2.6002731886      1.5210327238
 C     -0.4130663123      3.1170410496      0.3814228430
 C      0.1576867014      3.2970014383     -0.6695853978
 C      0.5591978553      3.0981617389     -1.9502707722
 C      0.8873069394      2.3639523854     -2.8875719006
 C      1.1109951376      1.2719067793     -3.6550433908
 C      1.2965796348      0.0911103744     -3.8626974169
 C      1.3775494743     -1.1811871376     -3.5168336845
 C      1.2728408035     -2.2647242207     -2.9221288719
 C      0.9961464122     -3.0642613338     -1.8887036366
 C      0.5866282974     -3.5558273928     -0.8395696204
 C      0.0640604969     -3.6351420115      0.4149738106
 C     -0.4591311343     -3.3518835706      1.4745697895
18
# ORCA AIMD Position Step 1852, t=1852.00 fs, E_Pot=-685.24106493 Hartree, Unit is Angstrom
 C     -0.9777243232     -2.6475382408      2.5430226231
 C     -1.3928859946     -1.6654218626      3.1686294548
 C     -1.6545460270     -0.3498070853      3.4295007655
 C     -1.6642338946      0.8359236373      3.1685985255
 C     -1.2988800322      1.9125131496      2.4733461411
 C     -0.9549275405      2.6056629273      1.5190291488
 C     -0.4141156334      3.1196933273      0.3891244317
 C      0.1645598480      3.2925326282     -0.6673713934
 C      0.5755895829      3.1034910865     -1.9495993864
 C      0.8932364570      2.3689271843     -2.8855133264
 C      1.1061919634      1.2710082082     -3.6490822274
 C      1.2896638100      0.0992478995     -3.8652292676
 C      1.3786741336     -1.1804272305     -3.5251616602
 C      1.2749498137     -2.2701189040     -2.9264252007
 C      0.9923596409     -3.0610473394     -1.8902597672
 C      0.5849805275     -3.5530749184     -0.8399610069
 C      0.0612235719     -3.6427377407      0.4095169242
 C     -0.4634197563     -3.3507577099      1.4730245289
18
# ORCA AIMD Position Step 1853, t=1853.00 fs, E_Pot=-685.24064062 Hartree, Unit is Angstrom
 C     -0.9812308051     -2.6518717024      2.5374908263
 C     -1.3951144430     -1.6703100277      3.1698106461
 C     -1.6543578853     -0.3581034197      3.4252736481
 C     -1.6677736147      0.8378473267      3.1748016663
 C     -1.2966614222      1.9120768188      2.4755454375
 C     -0.9536833263      2.6108208931      1.5176097923
 C     -0.4150827025      3.1223087512      0.3971885385
 C      0.1710836133      3.2881980895     -0.6656502028
 C      0.5922799717      3.1078902196     -1.9492202632
 C      0.8988074895      2.3744333625     -2.8831143221
 C      1.1013832400      1.2715843404     -3.6426758462
 C      1.2829431162      0.1069914304     -3.8679142565
 C      1.3795850539     -1.1823793557     -3.5326645625
 C      1.2773491574     -2.2732493364     -2.9318379807
 C      0.9881394414     -3.0587335116     -1.8908106020
 C      0.5835246483     -3.5499297917     -0.8407475143
 C      0.0582881671     -3.6501605219      0.4040851146
 C     -0.4678301963     -3.3492786442      1.4721287635
18
# ORCA AIMD Position Step 1854, t=1854.00 fs, E_Pot=-685.24025160 Hartree, Unit is Angstrom
 C     -0.9849842231     -2.6553673605      2.5319745216
 C     -1.3969652780     -1.6759453962      3.1702592451
 C     -1.6540900635     -0.3667927577      3.4209384379
 C     -1.6710918134      0.8389808917      3.1812961298
 C     -1.2943740868      1.9129257960      2.4763640490
 C     -0.9526340171      2.6153971159      1.5173490275
 C     -0.4155476548      3.1250702247      0.4047914430
 C      0.1770542815      3.2839679486     -0.6640108122
 C      0.6090896152      3.1115585940     -1.9487235018
 C      0.9041129306      2.3802719307     -2.8806337107
 C      1.0965337721      1.2740313208     -3.6357711894
 C      1.2765101229      0.1135790707     -3.8707530326
 C      1.3802403587     -1.1868432168     -3.5393385511
 C      1.2800158908     -2.2739942196     -2.9384019460
 C      0.9835637361     -3.0572502519     -1.8905061462
 C      0.5822336465     -3.5464468551     -0.8419149315
 C      0.0550408958     -3.6572627318      0.3991549349
 C     -0.4721142202     -3.3476816785      1.4713424106
18
# ORCA AIMD Position Step 1855, t=1855.00 fs, E_Pot=-685.24010140 Hartree, Unit is Angstrom
 C     -0.9890180577     -2.6579830839      2.5265779946
 C     -1.3984426633     -1.6823543214      3.1699533671
 C     -1.6537652825     -0.3753016868      3.4164380131
 C     -1.6741154826      0.8390106536      3.1880305010
 C     -1.2920593368      1.9149393203      2.4758577107
 C     -0.9519278304      2.6192089154      1.5185835126
 C     -0.4151368234      3.1281221535      0.4112133423
 C      0.1823161811      3.2798181394     -0.6621567632
 C      0.6258015522      3.1147502353     -1.9475848014
 C      0.9092550511      2.3862335209     -2.8783561986
 C      1.0916516760      1.2784430750     -3.6283903563
 C      1.2704258193      0.1184608459     -3.8736949299
 C      1.3806173149     -1.1932572936     -3.5453586351
 C      1.2828663942     -2.2726298493     -2.9458544490
 C      0.9787810440     -3.0563966404     -1.8897191403
 C      0.5810392228     -3.5427199317     -0.8433376465
 C      0.0512984695     -3.6639135154      0.3951349173
 C     -0.4760581778     -3.3461717332      1.4702029140
18
# ORCA AIMD Position Step 1856, t=1856.00 fs, E_Pot=-685.24004268 Hartree, Unit is Angstrom
 C     -0.9933522774     -2.6597169049      2.5214031288
 C     -1.3995742425     -1.6895461253      3.1689051538
 C     -1.6534103291     -0.3830448194      3.4117395441
 C     -1.6767620565      0.8376944746      3.1949103448
 C     -1.2898106472      1.9178756728      2.4742233915
 C     -0.9516364454      2.6221820152      1.5214640061
 C     -0.4135726087      3.1315669399      0.4159100199
 C      0.1867371925      3.2757494409     -0.6597881030
 C      0.6422495031      3.1176903822     -1.9454267565
 C      0.9143073005      2.3921925778     -2.8764918756
 C      1.0868146017      1.2844850003     -3.6206670762
 C      1.2646952703      0.1215138687     -3.8766431754
 C      1.3807115901     -1.2009014558     -3.5509938165
 C      1.2857888208     -2.2696734988     -2.9537890674
 C      0.9739577064     -3.0559418269     -1.8888657808
 C      0.5798580266     -3.5388559609     -0.8448556093
 C      0.0469116596     -3.6699900951      0.3923712117
 C     -0.4794588719     -3.3449641955      1.4682610213
18
# ORCA AIMD Position Step 1857, t=1857.00 fs, E_Pot=-685.23979737 Hartree, Unit is Angstrom
 C     -0.9979563321     -2.6606799882      2.5164544974
 C     -1.4004288124     -1.6973924222      3.1671993405
 C     -1.6530464800     -0.3896097577      3.4068265833
 C     -1.6789348468      0.8349500691      3.2017947561
 C     -1.2877930613      1.9213342974      2.4718420407
 C     -0.9517194723      2.6244179535      1.5258667398
 C     -0.4107160530      3.1354312000      0.4186077840
 C      0.1902785186      3.2717823103     -0.6567852151
 C      0.6582795597      3.1205702226     -1.9419095291
 C      0.9193168259      2.3981135109     -2.8751565792
 C      1.0821449733      1.2914895166     -3.6128377436
 C      1.2592833489      0.1229229636     -3.8794489923
 C      1.3805350918     -1.2088670221     -3.5566221061
 C      1.2886408990     -2.2658874181     -2.9616350873
 C      0.9692791766     -3.0556149697     -1.8884238796
 C      0.5785901708     -3.5349742938     -0.8462576060
 C      0.0418148107     -3.6754087821      0.3910314171
 C     -0.4822000774     -3.3442088899      1.4652499948
18
# ORCA AIMD Position Step 1858, t=1858.00 fs, E_Pot=-685.23913329 Hartree, Unit is Angstrom
 C     -1.0027570257     -2.6610746541      2.5116577475
 C     -1.4011099036     -1.7056667401      3.1649776896
 C     -1.6526886171     -0.3947474083      3.4017039033
 C     -1.6805363044      0.8308408136      3.2085103379
 C     -1.2862129927      1.9248219022      2.4692114356
 C     -0.9520415770      2.6261552034      1.5314401685
 C     -0.4065832821      3.1396669934      0.4193310570
 C      0.1929902723      3.2679579112     -0.6531774451
 C      0.6737864995      3.1235079881     -1.9368268300
 C      0.9242939761      2.4040786365     -2.8743354948
 C      1.0777944446      1.2985583196     -3.6052139744
 C      1.2541226151      0.1231228423     -3.8819343749
 C      1.3801112967     -1.2161993474     -3.5626646067
 C      1.2912764556     -2.2621289226     -2.9687803738
 C      0.9649103953     -3.0551735845     -1.8888105266
 C      0.5771389131     -3.5311818510     -0.8473425064
 C      0.0360325692     -3.6801289538      0.3910922447
 C     -0.4842572096     -3.3439908748      1.4610880651
18
# ORCA AIMD Position Step 1859, t=1859.00 fs, E_Pot=-685.23808072 Hartree, Unit is Angstrom
 C     -1.0076427777     -2.6611839872      2.5068584043
 C     -1.4017491849     -1.7140467283      3.1624304552
 C     -1.6523420940     -0.3984140744      3.3963957688
 C     -1.6814792573      0.8255703337      3.2148661102
 C     -1.2852953430      1.9278068339      2.4668870941
 C     -0.9523880812      2.6277377605      1.5376562728
 C     -0.4013469173      3.1441588335      0.4184021845
 C      0.1950169490      3.2643365837     -0.6491499921
 C      0.6887179986      3.1265375236     -1.9301219365
 C      0.9292190010      2.4102585657     -2.8738931225
 C      1.0739137383      1.3047473221     -3.5981252938
 C      1.2491326713      0.1226636745     -3.8839216771
 C      1.3794652613     -1.2220347925     -3.5695171052
 C      1.2935669950     -2.2592024900     -2.9746696846
 C      0.9609688904     -3.0544412934     -1.8903119182
 C      0.5754264472     -3.5275553089     -0.8479601569
 C      0.0296876086     -3.6841574889      0.3923193177
 C     -0.4857111134     -3.3443160494      1.4559070931
18
# ORCA AIMD Position Step 1860, t=1860.00 fs, E_Pot=-685.23696907 Hartree, Unit is Angstrom
 C     -1.0124765745     -2.6613401980      2.5018418994
 C     -1.4024952913     -1.7221394967      3.1597772551
 C     -1.6520040915     -0.4007792064      3.3909433519
 C     -1.6816891216      0.8194733905      3.2206671282
 C     -1.2852539485      1.9297860522      2.4654062945
 C     -0.9525078233      2.6295495185      1.5439124663
 C     -0.3953103950      3.1487408118      0.4163912322
 C      0.1965871895      3.2609962950     -0.6450269951
 C      0.7030699663      3.1296076910     -1.9218793456
 C      0.9340544650      2.4168673757     -2.8736141040
 C      1.0706288309      1.3092394033     -3.5918596666
 C      1.2442382009      0.1220822674     -3.8852590994
 C      1.3786121209     -1.2257519624     -3.5774649215
 C      1.2954208401     -2.2576946605     -2.9789107242
 C      0.9575080782     -3.0533355376     -1.8930352217
 C      0.5734058799     -3.5241280567     -0.8480480444
 C      0.0229944177     -3.6875527409      0.3942781241
 C     -0.4867435715     -3.3451108771      1.4500450961
18
# ORCA AIMD Position Step 1861, t=1861.00 fs, E_Pot=-685.23613635 Hartree, Unit is Angstrom
 C     -1.0171173287     -2.6618759042      2.4963766191
 C     -1.4034985744     -1.7295334127      3.1572348162
 C     -1.6516611583     -0.4022022187      3.3854034773
 C     -1.6811098058      0.8129960424      3.2257253843
 C     -1.2862527127      1.9303609297      2.4651970756
 C     -0.9521683777      2.6319276767      1.5496591054
 C     -0.3888646885      3.1532261111      0.4140309260
 C      0.1979909228      3.2580260395     -0.6412294914
 C      0.7168738849      3.1326019454     -1.9123023747
 C      0.9387584999      2.4240953037     -2.8732517940
 C      1.0680223166      1.3114783759     -3.5866150249
 C      1.2393836030      0.1218054359     -3.8858436954
 C      1.3775495311     -1.2270978239     -3.5866026238
 C      1.2967915877     -2.2578379433     -2.9813609041
 C      0.9545135379     -3.0518746123     -1.8968919950
 C      0.5710702897     -3.5208868209     -0.8476528814
 C      0.0162436206     -3.6904183592      0.3963753802
 C     -0.4876189755     -3.3462371368      1.4440053605
18
# ORCA AIMD Position Step 1862, t=1862.00 fs, E_Pot=-685.23575903 Hartree, Unit is Angstrom
 C     -1.0214456141     -2.6630616015      2.4902706606
 C     -1.4048833432     -1.7358609552      3.1549811134
 C     -1.6512966439     -0.4031794769      3.3798472721
 C     -1.6797074271      0.8066544617      3.2298684286
 C     -1.2883718691      1.9293090704      2.4664875179
 C     -0.9512054830      2.6350793537      1.5545213359
 C     -0.3824313160      3.1574299912      0.4121060445
 C      0.1995347528      3.2555208705     -0.6381999801
 C      0.7301797224      3.1353617945     -1.9016866814
 C      0.9432962448      2.4320438035     -2.8725901010
 C      1.0661272205      1.3112543705     -3.5824628870
 C      1.2345428908      0.1220934858     -3.8856310362
 C      1.3762545643     -1.2262369329     -3.5967998794
 C      1.2976820530     -2.2594561810     -2.9821586652
 C      0.9519095556     -3.0501692807     -1.9016133561
 C      0.5684540051     -3.5177768574     -0.8469293596
 C      0.0097671460     -3.6928873920      0.3979327364
 C     -0.4886434584     -3.3475214583      1.4383806394
18
# ORCA AIMD Position Step 1863, t=1863.00 fs, E_Pot=-685.23573609 Hartree, Unit is Angstrom
 C     -1.0253948166     -2.6650431556      2.4834314961
 C     -1.4067246421     -1.7408691592      3.1531170428
 C     -1.6508911356     -0.4042641543      3.3743541765
 C     -1.6774769092      0.8009717795      3.2329527286
 C     -1.2915820473      1.9266333646      2.4692468376
 C     -0.9495592407      2.6390223762      1.5583807786
 C     -0.3763952158      3.1611964409      0.4113268659
 C      0.2014866023      3.2535702657     -0.6363018655
 C      0.7430459648      3.1377142262     -1.8903908914
 C      0.9476480579      2.4406834497     -2.8714852230
 C      1.0649249478      1.3087336751     -3.5793346769
 C      1.2297214131      0.1230122477     -3.8846413533
 C      1.3746891262     -1.2236988783     -3.6077210788
 C      1.2981386108     -2.2620136914     -2.9816939560
 C      0.9495766914     -3.0484002695     -1.9067988588
 C      0.5656227692     -3.5147158492     -0.8461132452
 C      0.0038899320     -3.6950943440      0.3982931800
 C     -0.4901094040     -3.3487970611      1.4337400560
18
# ORCA AIMD Position Step 1864, t=1864.00 fs, E_Pot=-685.23575780 Hartree, Unit is Angstrom
 C     -1.0289722366     -2.6678011344      2.4759051043
 C     -1.4090332310     -1.7444695965      3.1516412628
 C     -1.6504305507     -0.4059659361      3.3690004600
 C     -1.6744383954      0.7963956212      3.2348830061
 C     -1.2957400856      1.9225692753      2.4731862071
 C     -0.9472860688      2.6435729382      1.5613898317
 C     -0.3710376817      3.1644145497      0.4122058596
 C      0.2040173984      3.2522485415     -0.6357114791
 C      0.7555359599      3.1394948418     -1.8788039196
 C      0.9518154206      2.4498472562     -2.8698856815
 C      1.0643509995      1.3044383484     -3.5770329123
 C      1.2249525627      0.1244293277     -3.8829557045
 C      1.3728100538     -1.2202462889     -3.6188953378
 C      1.2982332338     -2.2647481945     -2.9805261077
 C      0.9473754241     -3.0467810323     -1.9119925744
 C      0.5626614961     -3.5116140379     -0.8454782719
 C     -0.0011335884     -3.6971451018      0.3969435783
 C     -0.4922302720     -3.3499519915      1.4304989800
18
# ORCA AIMD Position Step 1865, t=1865.00 fs, E_Pot=-685.23553482 Hartree, Unit is Angstrom
 C     -1.0322691437     -2.6711414888      2.4678898072
 C     -1.4117556232     -1.7467556525      3.1504460676
 C     -1.6499092743     -0.4086484379      3.3638481459
 C     -1.6706307351      0.7932122854      3.2356215660
 C     -1.3006111748      1.9175400736      2.4778174533
 C     -0.9445438733      2.6483892406      1.5639206414
 C     -0.3664893948      3.1670229520      0.4149707729
 C      0.2071531798      3.2516111056     -0.6363361519
 C      0.7677170862      3.1405657166     -1.8673151706
 C      0.9558234470      2.4592535883     -2.8678420795
 C      1.0643098204      1.2991622485     -3.5752565974
 C      1.2202949761      0.1260439229     -3.8807006316
 C      1.3705753374     -1.2167124983     -3.6298149242
 C      1.2980450349     -2.2668408941     -2.9792641391
 C      0.9451730879     -3.0455161431     -1.9167647085
 C      0.5596565407     -3.5083915682     -0.8452909293
 C     -0.0051656817     -3.6990871339      0.3936218089
 C     -0.4950901612     -3.3509717833      1.4288053509
18
# ORCA AIMD Position Step 1866, t=1866.00 fs, E_Pot=-685.23485135 Hartree, Unit is Angstrom
 C     -1.0354438228     -2.6747423276      2.4597019887
 C     -1.4147883436     -1.7479727603      3.1493403209
 C     -1.6493298834     -0.4124653865      3.3589392260
 C     -1.6661119542      0.7914899017      3.2351917406
 C     -1.3059091727      1.9120750631      2.4825538754
 C     -0.9415447598      2.6530507614      1.5664581924
 C     -0.3627194653      3.1690115291      0.4195535813
 C      0.2107706574      3.2516875573     -0.6378057238
 C      0.7796585461      3.1408290933     -1.8562799342
 C      0.9597164430      2.4685466857     -2.8654832286
 C      1.0646880402      1.2938580734     -3.5736523059
 C      1.2158189736      0.1274340152     -3.8780330550
 C      1.3679528323     -1.2138487947     -3.6400189341
 C      1.2976395515     -2.2675729766     -2.9784518092
 C      0.9428725949     -3.0447548761     -1.9207969339
 C      0.5566802576     -3.5049939378     -0.8457690034
 C     -0.0082173096     -3.7008945826      0.3883678966
 C     -0.4986218658     -3.3519513140      1.4284972219
18
# ORCA AIMD Position Step 1867, t=1867.00 fs, E_Pot=-685.23376217 Hartree, Unit is Angstrom
 C     -1.0386959963     -2.6782132840      2.4517277498
 C     -1.4180025821     -1.7484609903      3.1480913596
 C     -1.6487024654     -0.4173293146      3.3542912447
 C     -1.6609522850      0.7910575370      3.2336729689
 C     -1.3113391599      1.9067249989      2.4868108897
 C     -0.9385145475      2.6571378469      1.5694970448
 C     -0.3595628259      3.1704084026      0.4256394028
 C      0.2146271878      3.2524863051     -0.6395306605
 C      0.7914291231      3.1402316224     -1.8459936388
 C      0.9635525712      2.4773507244     -2.8629880827
 C      1.0653756434      1.2894774876     -3.5718685601
 C      1.2115924953      0.1281523090     -3.8751141656
 C      1.3649218615     -1.2122272445     -3.6491529317
 C      1.2970545676     -2.2664328091     -2.9784833053
 C      0.9404288230     -3.0445648379     -1.9239320190
 C      0.5537796287     -3.5013989687     -0.8470547230
 C     -0.0104366694     -3.7024739616      0.3815020428
 C     -0.5026195156     -3.3530880255      1.4291244110
18
# ORCA AIMD Position Step 1868, t=1868.00 fs, E_Pot=-685.23262118 Hartree, Unit is Angstrom
 C     -1.0422300812     -2.6811712826      2.4443548357
 C     -1.4212705841     -1.7485886710      3.1464686999
 C     -1.6480424339     -0.4229347877      3.3499005017
 C     -1.6552287459      0.7915368346      3.2311882092
 C     -1.3166328304      1.9019885636      2.4900864041
 C     -0.9356530723      2.6603019361      1.5734486861
 C     -0.3567761956      3.1712628131      0.4327686772
 C      0.2184177074      3.2539999601     -0.6408098365
 C      0.8030876548      3.1387639998     -1.8366700089
 C      0.9673975633      2.4853059668     -2.8605598373
 C      1.0662853729      1.2868163222     -3.5696057313
 C      1.2076679489      0.1278375017     -3.8720804646
 C      1.3614739235     -1.2121875683     -3.6569989689
 C      1.2962890258     -2.2631769614     -2.9795514522
 C      0.9378583548     -3.0449134881     -1.9262011904
 C      0.5509722344     -3.4976205240     -0.8492044516
 C     -0.0120681663     -3.7036884754      0.3735436813
 C     -0.5067887821     -3.3546407678      1.4300488216
18
# ORCA AIMD Position Step 1869, t=1869.00 fs, E_Pot=-685.23189273 Hartree, Unit is Angstrom
 C     -1.0462196911     -2.6833055257      2.4379100129
 C     -1.4244830899     -1.7486967539      3.1442800102
 C     -1.6473660249     -0.4288182589      3.3457498917
 C     -1.6490269594      0.7924063485      3.2278897011
 C     -1.3215720616      1.8982642879      2.4920091853
 C     -0.9331028933      2.6623109169      1.5785775399
 C     -0.3540971655      3.1716280978      0.4404438003
 C      0.2218343278      3.2562073316     -0.6409491261
 C      0.8146702910      3.1364567514     -1.8284281694
 C      0.9713164043      2.4921010440     -2.8583984208
 C      1.0673681033      1.2863759183     -3.5666618014
 C      1.2040696044      0.1263280566     -3.8690180733
 C      1.3576126436     -1.2138206226     -3.6634817542
 C      1.2953026593     -2.2578497465     -2.9816328518
 C      0.9352376493     -3.0456712456     -1.9278129005
 C      0.5482498975     -3.4937061796     -0.8521940623
 C     -0.0134025683     -3.7043879245      0.3651101481
 C     -0.5108087894     -3.3568767458      1.4305746962
18
# ORCA AIMD Position Step 1870, t=1870.00 fs, E_Pot=-685.23188515 Hartree, Unit is Angstrom
 C     -1.0507731610     -2.6844331537      2.4326064091
 C     -1.4275602134     -1.7490582841      3.1413956309
 C     -1.6466908917     -0.4344275010      3.3418210906
 C     -1.6424362404      0.7930915288      3.2239370755
 C     -1.3260046464      1.8958141812      2.4923705330
 C     -0.9309382239      2.6630662318      1.5849754659
 C     -0.3512977250      3.1715535788      0.4482181974
 C      0.2246345781      3.2590755388     -0.6393891853
 C      0.8261650513      3.1333694341     -1.8212880017
 C      0.9753645815      2.4974938684     -2.8566665960
 C      1.0686169966      1.2882877269     -3.5629595844
 C      1.2007920276      0.1237237594     -3.8659484068
 C      1.3533544698     -1.2169672761     -3.6686651518
 C      1.2940229119     -2.2507729442     -2.9844989224
 C      0.9326942564     -3.0466297722     -1.9291192117
 C      0.5455808889     -3.4897339790     -0.8559233193
 C     -0.0147250293     -3.7044387709      0.3568138663
 C     -0.5143926529     -3.3600139077      1.4300785638
18
# ORCA AIMD Position Step 1871, t=1871.00 fs, E_Pot=-685.23256634 Hartree, Unit is Angstrom
 C     -1.0559135075     -2.6845228762      2.4285117147
 C     -1.4304568795     -1.7498551106      3.1377608633
 C     -1.6460327140     -0.4392000780      3.3380995037
 C     -1.6355521385      0.7930379933      3.2194889239
 C     -1.3298479442      1.8947505778      2.4911328353
 C     -0.9291560274      2.6626148922      1.5925443798
 C     -0.3482140642      3.1710766736      0.4557477936
 C      0.2266678653      3.2625556906     -0.6357656593
 C      0.8375070260      3.1295859276     -1.8151797428
 C      0.9795786316      2.5013361343     -2.8554651142
 C      1.0700659371      1.2922817798     -3.5585592813
 C      1.1978013498      0.1204110531     -3.8628289219
 C      1.3487314925     -1.2212374966     -3.6727440276
 C      1.2923590807     -2.2425181788     -2.9877485588
 C      0.9303826471     -3.0475376136     -1.9305429075
 C      0.5429247062     -3.4858008586     -0.8602494087
 C     -0.0162798737     -3.7037439616      0.3491925592
 C     -0.5173329183     -3.3641802411      1.4281058131
18
# ORCA AIMD Position Step 1872, t=1872.00 fs, E_Pot=-685.23358342 Hartree, Unit is Angstrom
 C     -1.0615702348     -2.6837084287      2.4255298137
 C     -1.4331650382     -1.7511615262      3.1334000241
 C     -1.6454038664     -0.4426442680      3.3345786934
 C     -1.6284700655      0.7917935525      3.2146833842
 C     -1.3330975222      1.8950191212      2.4884390848
 C     -0.9276751557      2.6611457943      1.6010062274
 C     -0.3447623669      3.1702234427      0.4628261166
 C      0.2279033157      3.2665824532     -0.6299595769
 C      0.8485785269      3.1252037313     -1.8099557033
 C      0.9839729736      2.5035914982     -2.8548045733
 C      1.0717770538      1.2977524002     -3.5536421167
 C      1.1950434875      0.1169955527     -3.8595700333
 C      1.3437892080     -1.2260501516     -3.6760286480
 C      1.2902174366     -2.2338408209     -2.9908636111
 C      0.9284562199     -3.0481427543     -1.9325012844
 C      0.5402406552     -3.4820087474     -0.8650151060
 C     -0.0182419475     -3.7022559822      0.3426421761
 C     -0.5195345195     -3.3693878119      1.4244383923
18
# ORCA AIMD Position Step 1873, t=1873.00 fs, E_Pot=-685.23451742 Hartree, Unit is Angstrom
 C     -1.0675879160     -2.6822761876      2.4234089916
 C     -1.4357157525     -1.7529346611      3.1284107420
 C     -1.6448113754     -0.4444185032      3.3312606447
 C     -1.6212760564      0.7890764157      3.2096201151
 C     -1.3358298696      1.8963947230      2.4846068744
 C     -0.9263418687      2.6589774743      1.6099298797
 C     -0.3409425909      3.1690096128      0.4693993175
 C      0.2284349021      3.2710773588     -0.6221020789
 C      0.8592242760      3.1203225288     -1.8054132598
 C      0.9885408824      2.5043410062     -2.8545963561
 C      1.0738242286      1.3038855451     -3.5484725850
 C      1.1924587239      0.1141811859     -3.8560582031
 C      1.3385786726     -1.2307079322     -3.6789063958
 C      1.2875177012     -2.2255774297     -2.9932862509
 C      0.9270384192     -3.0482358254     -1.9353323313
 C      0.5374953961     -3.4784471614     -0.8700795502
 C     -0.0206949077     -3.6999809357      0.3373647336
 C     -0.5210314278     -3.3755296057      1.4191222634
18
# ORCA AIMD Position Step 1874, t=1874.00 fs, E_Pot=-685.23507324 Hartree, Unit is Angstrom
 C     -1.0737485186     -2.6806302734      2.4217747796
 C     -1.4381756807     -1.7550150101      3.1229517317
 C     -1.6442552525     -0.4444002770      3.3281544075
 C     -1.6140405367      0.7848233855      3.2043483798
 C     -1.3381954110      1.8984990083      2.4800995896
 C     -0.9249415432      2.6565334172      1.6187726298
 C     -0.3368286898      3.1674407099      0.4755612529
 C      0.2284664173      3.2759554981     -0.6125434129
 C      0.8692717841      3.1150343193     -1.8013202658
 C      0.9932588525      2.5037690702     -2.8546598719
 C      1.0762787589      1.3098147638     -3.5433491165
 C      1.1899929834      0.1126363364     -3.8521860712
 C      1.3331491195     -1.2345087849     -3.6817778520
 C      1.2842021847     -2.2185137677     -2.9945125279
 C      0.9262003580     -3.0476821141     -1.9392366672
 C      0.5346718723     -3.4751805525     -0.8753479444
 C     -0.0236217252     -3.6969754683      0.3333390944
 C     -0.5219842212     -3.3823956320      1.4124604101
18
# ORCA AIMD Position Step 1875, t=1875.00 fs, E_Pot=-685.23521806 Hartree, Unit is Angstrom
 C     -1.0798011720     -2.6792447758      2.4201858078
 C     -1.4406400540     -1.7571415200      3.1172203500
 C     -1.6437297744     -0.4427233625      3.3252810588
 C     -1.6068116434      0.7792170494      3.1988569896
 C     -1.3404020454      1.9008406920      2.4754826572
 C     -0.9232212861      2.6542925865      1.6269406586
 C     -0.3325540175      3.1655183121      0.4815274696
 C      0.2282922725      3.2811310887     -0.6018048656
 C      0.8785393677      3.1094205869     -1.7974400886
 C      0.9980961933      2.5021329852     -2.8547419066
 C      1.0791947026      1.3147633571     -3.5385623553
 C      1.1876099534      0.1128710734     -3.8478716966
 C      1.3275379615     -1.2368667271     -3.6849752390
 C      1.2802490063     -2.2132400639     -2.9941917068
 C      0.9259503286     -3.0464412638     -1.9442501142
 C      0.5317668506     -3.4722410166     -0.8807777750
 C     -0.0269024259     -3.6933425865      0.3303159338
 C     -0.5226594830     -3.3896999769      1.4049689666
18
# ORCA AIMD Position Step 1876, t=1876.00 fs, E_Pot=-685.23510554 Hartree, Unit is Angstrom
 C     -1.0854988691     -2.6785902311      2.4181982049
 C     -1.4432142355     -1.7589989772      3.1114252784
 C     -1.6432261620     -0.4397910433      3.3226698001
 C     -1.5996195305      0.7726852836      3.1930859910
 C     -1.3426760603      1.9028870024      2.4713410830
 C     -0.9209314004      2.6527273577      1.6338729052
 C     -0.3282837463      3.1632432120      0.4875883512
 C      0.2282559902      3.2865257455     -0.5905104225
 C      0.8868586116      3.1035465869     -1.7935538945
 C      1.0030145966      2.4997245553     -2.8545551385
 C      1.0826038596      1.3181556406     -3.5343500792
 C      1.1852943715      0.1151687317     -3.8430782463
 C      1.3217691432     -1.2374326463     -3.6886797642
 C      1.2756793190     -2.2100252137     -2.9922206927
 C      0.9262291069     -3.0445768022     -1.9502329993
 C      0.5287913114     -3.4696312639     -0.8863768512
 C     -0.0303288212     -3.6892155734      0.3278456929
 C     -0.5233951748     -3.3971208381      1.3973155262
18
# ORCA AIMD Position Step 1877, t=1877.00 fs, E_Pot=-685.23497187 Hartree, Unit is Angstrom
 C     -1.0906324571     -2.6790641313      2.4154358076
 C     -1.4459915500     -1.7602831514      3.1057445727
 C     -1.6427372587     -0.4362374732      3.3203625622
 C     -1.5924798136      0.7658566760      3.1869398010
 C     -1.3452120218      1.9041670919      2.4681776263
 C     -0.9178743845      2.6522161722      1.6391380456
 C     -0.3241823542      3.1606266837      0.4940408448
 C      0.2287114322      3.2920658294     -0.5793071924
 C      0.8940726328      3.0974709305     -1.7894650433
 C      1.0079798592      2.4968262288     -2.8538151564
 C      1.0865095331      1.3196948719     -3.5308723263
 C      1.1830579537      0.1195294723     -3.8378209009
 C      1.3158485665     -1.2361551174     -3.6928708354
 C      1.2705553293     -2.2087501344     -2.9887900945
 C      0.9269208113     -3.0422473249     -1.9568962975
 C      0.5257702026     -3.4673280681     -0.8921918539
 C     -0.0336363690     -3.6847434815      0.3253526803
 C     -0.5245575522     -3.4043369595      1.3902280093
18
# ORCA AIMD Position Step 1878, t=1878.00 fs, E_Pot=-685.23499210 Hartree, Unit is Angstrom
 C     -1.0950659105     -2.6809127045      2.4116559911
 C     -1.4490259306     -1.7607800134      3.1002832689
 C     -1.6422619143     -0.4328482328      3.3184100791
 C     -1.5854022156      0.7594710951      3.1803163739
 C     -1.3481194339      1.9043796802      2.4663065994
 C     -0.9139609919      2.6529597728      1.6425354480
 C     -0.3203717615      3.1577025123      0.5011064706
 C      0.2299753218      3.2976818080     -0.5687823947
 C      0.9000479510      3.0912440811     -1.7850115699
 C      1.0129615406      2.4936783644     -2.8522713234
 C      1.0908870282      1.3194091551     -3.5281884319
 C      1.1809354539      0.1256634353     -3.8321737174
 C      1.3097686457     -1.2332692610     -3.6973320661
 C      1.2649804888     -2.2089293317     -2.9843751704
 C      0.9278670160     -3.0396913280     -1.9638401607
 C      0.5227337592     -3.4652971377     -0.8982786229
 C     -0.0365553195     -3.6800651048      0.3222459345
 C     -0.5264791258     -3.4110722266      1.3843736838
18
# ORCA AIMD Position Step 1879, t=1879.00 fs, E_Pot=-685.23516782 Hartree, Unit is Angstrom
 C     -1.0987584752     -2.6841840257      2.4067917631
 C     -1.4523136757     -1.7604316090      3.0950447235
 C     -1.6418070283     -0.4304201202      3.3168645541
 C     -1.5783980475      0.7542486561      3.1731357637
 C     -1.3513860162      1.9034649645      2.4657864166
 C     -0.9092467941      2.6549295032      1.6441545914
 C     -0.3168948401      3.1545359823      0.5088562253
 C      0.2322862690      3.3033037311     -0.5593854786
 C      0.9046782931      3.0849120767     -1.7800655177
 C      1.0179355741      2.4904564664     -2.8497326210
 C      1.0956863076      1.3176635028     -3.5262475343
 C      1.1789809669      0.1329969451     -3.8262702087
 C      1.3035145291     -1.2292072806     -3.7017103146
 C      1.2590861968     -2.2098186329     -2.9796530196
 C      0.9288912266     -3.0371959239     -1.9706177031
 C      0.5197103542     -3.4635046855     -0.9046769117
 C     -0.0388714630     -3.6752870599      0.3180517199
 C     -0.5293959127     -3.4171333711      1.3802299316
18
# ORCA AIMD Position Step 1880, t=1880.00 fs, E_Pot=-685.23533832 Hartree, Unit is Angstrom
 C     -1.1017678345     -2.6887206169      2.4009589743
 C     -1.4557894354     -1.7593621172      3.0899235466
 C     -1.6413841093     -0.4295956112      3.3157672270
 C     -1.5714882932      0.7507313878      3.1653655901
 C     -1.3548701500      1.9016240463      2.4664113094
 C     -0.9039382245      2.6578616204      1.6443741590
 C     -0.3136933960      3.1512348743      0.5171653934
 C      0.2357802437      3.3088543146     -0.5513773719
 C      0.9078835993      3.0785225288     -1.7745277557
 C      1.0228891985      2.4872562469     -2.8460819614
 C      1.1008372956      1.3151271514     -3.5248958167
 C      1.1772603827      0.1407148993     -3.8202964488
 C      1.2970679879     -1.2244769401     -3.7055999914
 C      1.2530174527     -2.2105670097     -2.9753821452
 C      0.9298257302     -3.0350552488     -1.9768057644
 C      0.5167168710     -3.4619287146     -0.9113864478
 C     -0.0404778827     -3.6704667076      0.3125249314
 C     -0.5333989802     -3.4224342198      1.3779827945
18
# ORCA AIMD Position Step 1881, t=1881.00 fs, E_Pot=-685.23532093 Hartree, Unit is Angstrom
 C     -1.1042377729     -2.6941918101      2.3944296640
 C     -1.4593361620     -1.7578613499      3.0847266366
 C     -1.6410032473     -0.4307204963      3.3151327287
 C     -1.5647104529      0.7491484253      3.1570422532
 C     -1.3583320573      1.8992660954      2.4677733864
 C     -0.8983592864      2.6613218756      1.6437897826
 C     -0.3106031364      3.1479486964      0.5257081626
 C      0.2404799754      3.3142475332     -0.5448123462
 C      0.9096156683      3.0721232964     -1.7683258736
 C      1.0278183547      2.4841059678     -2.8412740732
 C      1.1062617804      1.3126733572     -3.5239040369
 C      1.1758412292      0.1478603765     -3.8144735218
 C      1.2904140988     -1.2195516494     -3.7086256970
 C      1.2469111967     -2.2103729201     -2.9722746344
 C      0.9305382574     -3.0335241791     -1.9820783812
 C      0.5137504721     -3.4605697348     -0.9183470635
 C     -0.0414056442     -3.6656058236      0.3057125801
 C     -0.5384104776     -3.4270027573      1.3774743406
18
# ORCA AIMD Position Step 1882, t=1882.00 fs, E_Pot=-685.23513217 Hartree, Unit is Angstrom
 C     -1.1063695066     -2.7001632179      2.3875745902
 C     -1.4628097321     -1.7563212733      3.0792165993
 C     -1.6406658385     -0.4337729949      3.3149361703
 C     -1.5581226856      0.7493484106      3.1482807121
 C     -1.3614887036      1.8969130959      2.4693678793
 C     -0.8928849913      2.6648089247      1.6430866781
 C     -0.3073806898      3.1448553098      0.5340119035
 C      0.2463099576      3.3193913710     -0.5395637760
 C      0.9098583878      3.0657630307     -1.7614116580
 C      1.0327272136      2.4809851671     -2.8353224650
 C      1.1118861675      1.3112226567     -3.5230152210
 C      1.1747807748      0.1534862793     -3.8090264184
 C      1.2835444672     -1.2147922311     -3.7105034689
 C      1.2408743965     -2.2086227828     -2.9708779594
 C      0.9309562281     -3.0327668702     -1.9862741879
 C      0.5107830249     -3.4594559598     -0.9254292866
 C     -0.0418160307     -3.6606614464      0.2979360262
 C     -0.5441987329     -3.4309644587      1.3782325225
18
# ORCA AIMD Position Step 1883, t=1883.00 fs, E_Pot=-685.23505616 Hartree, Unit is Angstrom
 C     -1.1083853628     -2.7061777178      2.3807959970
 C     -1.4660661983     -1.7551574264      3.0731614971
 C     -1.6403596447     -0.4383877672      3.3151102190
 C     -1.5518039167      0.7508292456      3.1392665578
 C     -1.3640715808      1.8950929522      2.4707032393
 C     -0.8878681154      2.6678621938      1.6429035699
 C     -0.3037500733      3.1421389560      0.5415460332
 C      0.2531244881      3.3241937182     -0.5353784804
 C      0.9086271733      3.0594903219     -1.7537635111
 C      1.0376249288      2.4778517759     -2.8282784413
 C      1.1176533498      1.3115423754     -3.5220041435
 C      1.1741153804      0.1568454695     -3.8041454432
 C      1.2764613300     -1.2104062330     -3.7110761691
 C      1.2349679924     -2.2049860184     -2.9714919770
 C      0.9310804687     -3.0328200067     -1.9894363383
 C      0.5077607245     -3.4586427977     -0.9324384894
 C     -0.0419622545     -3.6555685947      0.2897100796
 C     -0.5504259731     -3.4345069486      1.3795702328
18
# ORCA AIMD Position Step 1884, t=1884.00 fs, E_Pot=-685.23544082 Hartree, Unit is Angstrom
 C     -1.1104947893     -2.7118259284      2.3744691516
 C     -1.4689834444     -1.7547367758      3.0663776925
 C     -1.6400585821     -0.4439560111      3.3155526845
 C     -1.5458496047      0.7528514746      3.1302338660
 C     -1.3658709266      1.8942477973      2.4713862908
 C     -0.8835776677      2.6701443988      1.6437197712
 C     -0.2994569758      3.1399649216      0.5478228514
 C      0.2607368692      3.3285697292     -0.5319379100
 C      0.9059714253      3.0533533058     -1.7453962193
 C      1.0425199631      2.4746709514     -2.8202099387
 C      1.1235298457      1.3140517490     -3.5207345329
 C      1.1738535364      0.1575741998     -3.7999500297
 C      1.2691808884     -1.2064403257     -3.7103270170
 C      1.2292022894     -2.1994597368     -2.9741324106
 C      0.9309831379     -3.0335831545     -1.9918085872
 C      0.5046117329     -3.4582051401     -0.9391340299
 C     -0.0421372661     -3.6502657267      0.2816340152
 C     -0.5567111993     -3.4378389548      1.3807168533
18
# ORCA AIMD Position Step 1885, t=1885.00 fs, E_Pot=-685.23637041 Hartree, Unit is Angstrom
 C     -1.1128610425     -2.7168055829      2.3688864174
 C     -1.4714781855     -1.7553172718      3.0587609590
 C     -1.6397269716     -0.4497691116      3.3161408594
 C     -1.5403623932      0.7545899114      3.1214337471
 C     -1.3667648987      1.8946668556      2.4711817872
 C     -0.8801511701      2.6714986647      1.6457693668
 C     -0.2943199058      3.1384531520      0.5524909221
 C      0.2689442736      3.3324485199     -0.5289106374
 C      0.9019757718      3.0473972941     -1.7363719476
 C      1.0474157942      2.4714289686     -2.8111877911
 C      1.1295056935      1.3187096242     -3.5191902405
 C      1.1739743149      0.1558099551     -3.7964666760
 C      1.2617370497     -1.2027866745     -3.7083848385
 C      1.2235425206     -2.1923788283     -2.9785305738
 C      0.9307885452     -3.0348370186     -1.9937872927
 C      0.5012604998     -3.4582236458     -0.9452654985
 C     -0.0426237461     -3.6447141361      0.2742863703
 C     -0.5626934447     -3.4411472261      1.3809520150
18
# ORCA AIMD Position Step 1886, t=1886.00 fs, E_Pot=-685.23759030 Hartree, Unit is Angstrom
 C     -1.1155858467     -2.7209500659      2.3642285927
 C     -1.4735137859     -1.7570204473      3.0502987747
 C     -1.6393253051     -0.4551420630      3.3167452902
 C     -1.5354392223      0.7552801659      3.1130952206
 C     -1.3667304847      1.8964449561      2.4700401256
 C     -0.8775785186      2.6719598415      1.6490163526
 C     -0.2882600716      3.1376655345      0.5553910234
 C      0.2775432294      3.3357821420     -0.5259814128
 C      0.8967662989      3.0416581583     -1.7268163908
 C      1.0523076083      2.4681489562     -2.8012701686
 C      1.1355878608      1.3250167926     -3.5174769538
 C      1.1744353035      0.1521833174     -3.7936338115
 C      1.2541790398     -1.1992171934     -3.7055056282
 C      1.2179244781     -2.1843553340     -2.9841914039
 C      0.9306359377     -3.0362978228     -1.9958254942
 C      0.4976505835     -3.4587616031     -0.9506275435
 C     -0.0436553315     -3.6389095838      0.2681472842
 C     -0.5680795066     -3.4445709043      1.3797009156
18
# ORCA AIMD Position Step 1887, t=1887.00 fs, E_Pot=-685.23869680 Hartree, Unit is Angstrom
 C     -1.1186987073     -2.7242468311      2.3605427734
 C     -1.4751020770     -1.7598169874      3.0410700665
 C     -1.6388169997     -0.4595177985      3.3172437702
 C     -1.5311573492      0.7543338220      3.1053929152
 C     -1.3658427708      1.8994671008      2.4680966158
 C     -0.8757043825      2.6717438189      1.6531692475
 C     -0.2813117087      3.1376013782      0.5565783365
 C      0.2863433502      3.3385529890     -0.5228697551
 C      0.8905102437      3.0361559268     -1.7169237592
 C      1.0571836577      2.4648821981     -2.7904991286
 C      1.1417904093      1.3321529642     -3.5157864912
 C      1.1751848402      0.1476907497     -3.7913273050
 C      1.2465650979     -1.1954282552     -3.7020411985
 C      1.2122716906     -2.1761859965     -2.9904796948
 C      0.9306387474     -3.0376846071     -1.9983235456
 C      0.4937657670     -3.4598434374     -0.9551164563
 C     -0.0453915180     -3.6328834926      0.2635410697
 C     -0.5726812738     -3.4481812227      1.3766061954
18
# ORCA AIMD Position Step 1888, t=1888.00 fs, E_Pot=-685.23942614 Hartree, Unit is Angstrom
 C     -1.1221555513     -2.7268365547      2.3577379614
 C     -1.4763016840     -1.7635285896      3.0312364150
 C     -1.6381717276     -0.4625358980      3.3175306789
 C     -1.5275660776      0.7514113060      3.0984240926
 C     -1.3642607837      1.9034236011      2.4656482603
 C     -0.8742568693      2.6712051693      1.6577403247
 C     -0.2736111817      3.1382079291      0.5563047648
 C      0.2951802465      3.3407788295     -0.5193413378
 C      0.8834093167      3.0308915266     -1.7069497998
 C      1.0620283580      2.4616900031     -2.7789064142
 C      1.1481275042      1.3391818944     -3.5143417818
 C      1.1761719978      0.1434928110     -3.7893999125
 C      1.2389543226     -1.1911058549     -3.6983852282
 C      1.2065122105     -2.1687220811     -2.9967304396
 C      0.9308495688     -3.0387826612     -2.0015333475
 C      0.4896442860     -3.4614393807     -0.9587686578
 C     -0.0479005331     -3.6266994396      0.2605979381
 C     -0.5764372511     -3.4519753091      1.3715663170
18
# ORCA AIMD Position Step 1889, t=1889.00 fs, E_Pot=-685.23976410 Hartree, Unit is Angstrom
 C     -1.1258480912     -2.7289950364      2.3556002216
 C     -1.4772138336     -1.7678420121      3.0210305452
 C     -1.6373686320     -0.4640718755      3.3175228356
 C     -1.5246829720      0.7464527142      3.0922013864
 C     -1.3622028404      1.9078546516      2.4631106798
 C     -0.8728943502      2.6707809520      1.6621339962
 C     -0.2653709143      3.1393958269      0.5549705355
 C      0.3039248610      3.3425125173     -0.5152186371
 C      0.8756884542      3.0258477840     -1.6971896866
 C      1.0668258535      2.4586202274     -2.7665305884
 C      1.1546061963      1.3452510849     -3.5133412541
 C      1.1773563227      0.1407111112     -3.7877191116
 C      1.2313999556     -1.1860079223     -3.6949021869
 C      1.2005918387     -2.1627244500     -3.0023642011
 C      0.9312422225     -3.0394825620     -2.0055076805
 C      0.4853800291     -3.4634625900     -0.9617624131
 C     -0.0511499816     -3.6204483695      0.2592343796
 C     -0.5794149047     -3.4558806664      1.3647384046
18
# ORCA AIMD Position Step 1890, t=1890.00 fs, E_Pot=-685.23983354 Hartree, Unit is Angstrom
 C     -1.1296182538     -2.7310985524      2.3538212889
 C     -1.4779695365     -1.7723416324      3.0107337701
 C     -1.6363997201     -0.4642636875      3.3171681832
 C     -1.5224933806      0.7396887156      3.0866557565
 C     -1.3599070712      1.9122259434      2.4609435404
 C     -0.8712626191      2.6709151113      1.6657467497
 C     -0.2568594679      3.1410553087      0.5530857766
 C      0.3124936127      3.3438407482     -0.5103971692
 C      0.8675809363      3.0209997653     -1.6879480368
 C      1.0715664622      2.4556681757     -2.7534547067
 C      1.1612230674      1.3497507970     -3.5129081504
 C      1.1787110919      0.1402692474     -3.7861901745
 C      1.2239437787     -1.1800386551     -3.6918592774
 C      1.1944819121     -2.1587386453     -3.0069802584
 C      0.9317129057     -3.0397927372     -2.0100975538
 C      0.4811121886     -3.4657791184     -0.9643872522
 C     -0.0549978460     -3.6142433804      0.2591354537
 C     -0.5818120682     -3.4597611270      1.3565393938
18
# ORCA AIMD Position Step 1891, t=1891.00 fs, E_Pot=-685.23974585 Hartree, Unit is Angstrom
 C     -1.1332823529     -2.7335723393      2.3520436373
 C     -1.4787158661     -1.7765543511      3.0006528282
 C     -1.6352711870     -0.4635046847      3.3164489562
 C     -1.5209533527      0.7316202932      3.0816498343
 C     -1.3575844269      1.9160223414      2.4595642487
 C     -0.8690559646      2.6719745252      1.6680684954
 C     -0.2483802105      3.1430705008      0.5512282069
 C      0.3208533462      3.3448760870     -0.5048568800
 C      0.8593119215      3.0163307521     -1.6794978048
 C      1.0762527877      2.4527542663     -2.7398379391
 C      1.1679620445      1.3524075065     -3.5130614999
 C      1.1802240512      0.1427646755     -3.7847703725
 C      1.2166136300     -1.1732972801     -3.6893707002
 C      1.1881818393     -2.1569954383     -3.0104193020
 C      0.9321027204     -3.0398206626     -2.0150039772
 C      0.4769976572     -3.4682300057     -0.9669771388
 C     -0.0591950873     -3.6082140965      0.2597656054
 C     -0.5839354446     -3.4634393176      1.3476032036
18
# ORCA AIMD Position Step 1892, t=1892.00 fs, E_Pot=-685.23950943 Hartree, Unit is Angstrom
 C     -1.1366708775     -2.7368111380      2.3499324450
 C     -1.4795882050     -1.7800305726      2.9910736851
 C     -1.6340077759     -0.4623917280      3.3153816869
 C     -1.5199934688      0.7229556967      3.0770012793
 C     -1.3553724329      1.9188477831      2.4592540444
 C     -0.8660837144      2.6741675332      1.6688013984
 C     -0.2402322511      3.1453373953      0.5499648079
 C      0.3290269206      3.3457471943     -0.4986673684
 C      0.8510752226      3.0118372247     -1.6720445483
 C      1.0809022175      2.4497312297     -2.7259147671
 C      1.1747969470      1.3533170071     -3.5137096054
 C      1.1818955040      0.1483947909     -3.7834699350
 C      1.2094214822     -1.1660715547     -3.6873895228
 C      1.1817219165     -2.1573754502     -3.0127835998
 C      0.9322234305     -3.0397538443     -2.0198333965
 C      0.4731851516     -3.4706577072     -0.9698474872
 C     -0.0634157062     -3.6024948805      0.2604278461
 C     -0.5861547911     -3.4667277204      1.3386956232
18
# ORCA AIMD Position Step 1893, t=1893.00 fs, E_Pot=-685.23911661 Hartree, Unit is Angstrom
 C     -1.1396568338     -2.7411083260      2.3472321961
 C     -1.4806918731     -1.7824137729      2.9822218521
 C     -1.6326460478     -0.4616465674      3.3140116162
 C     -1.5195290200      0.7145238491      3.0725032088
 C     -1.3532986076      1.9204944851      2.4601005442
 C     -0.8623012653      2.6774971546      1.6679008961
 C     -0.2326946752      3.1477709245      0.5498234744
 C      0.3370800830      3.3465835944     -0.4919739534
 C      0.8430243045      3.0075503315     -1.6656859397
 C      1.0855505766      2.4463786701     -2.7120142794
 C      1.1816957925      1.3529406772     -3.5146496249
 C      1.1837330017      0.1569157039     -3.7823553307
 C      1.2023677008     -1.1587673214     -3.6857339453
 C      1.1751494599     -2.1594720776     -3.0143776520
 C      0.9318957346     -3.0398054270     -2.0241934717
 C      0.4697899612     -3.4729293681     -0.9732362078
 C     -0.0672970554     -3.5972146087      0.2603518151
 C     -0.5888547212     -3.4694555340      1.3306102934
18
# ORCA AIMD Position Step 1894, t=1894.00 fs, E_Pot=-685.23859817 Hartree, Unit is Angstrom
 C     -1.1421959846     -2.7465692254      2.3438383658
 C     -1.4820714821     -1.7835408381      2.9742097040
 C     -1.6312315759     -0.4619794204      3.3124014844
 C     -1.5194720954      0.7071409990      3.0679625530
 C     -1.3512701940      1.9209863523      2.4619675421
 C     -0.8578280943      2.6817429810      1.6656053772
 C     -0.2259867758      3.1503188156      0.5512200956
 C      0.3450990922      3.3475036718     -0.4849578426
 C      0.8352659715      3.0035278443     -1.6604194505
 C      1.0902481511      2.4424494902     -2.6985146483
 C      1.1886273380      1.3520480348     -3.5155954369
 C      1.1857461688      0.1676568521     -3.7815455935
 C      1.1954447340     -1.1518306757     -3.6841390523
 C      1.1685227736     -2.1626729273     -3.0156393901
 C      0.9309754600     -3.0401825274     -2.0277575939
 C      0.4668799692     -3.4749544732     -0.9772730955
 C     -0.0705146444     -3.5924811617      0.2588503432
 C     -0.5923517348     -3.4715071471      1.3240020066
18
# ORCA AIMD Position Step 1895, t=1895.00 fs, E_Pot=-685.23811382 Hartree, Unit is Angstrom
 C     -1.1443383896     -2.7530843822      2.3398160139
 C     -1.4837037897     -1.7834721621      2.9670220516
 C     -1.6298088169     -0.4639500553      3.3106067072
 C     -1.5197452224      0.7014738522      3.0632240162
 C     -1.3490977834      1.9205415575      2.4645468913
 C     -0.8529181860      2.6865106178      1.6623841903
 C     -0.2202440012      3.1529674769      0.5544137641
 C      0.3531657586      3.3486006838     -0.4777959445
 C      0.8278619898      2.9998515727     -1.6561457145
 C      1.0950546680      2.4377018027     -2.6858091627
 C      1.1955669917      1.3516268963     -3.5162076834
 C      1.1879409912      0.1795916494     -3.7812047883
 C      1.1886418975     -1.1456403413     -3.6823265475
 C      1.1618980405     -2.1663092692     -3.0170316884
 C      0.9293790747     -3.0410389560     -2.0303331425
 C      0.4644692987     -3.4766955805     -0.9819631581
 C     -0.0728577799     -3.5883693329      0.2554671293
 C     -0.5968224643     -3.4728413089      1.3192459925
18
# ORCA AIMD Position Step 1896, t=1896.00 fs, E_Pot=-685.23781888 Hartree, Unit is Angstrom
 C     -1.1462218225     -2.7603432882      2.3353942097
 C     -1.4855020854     -1.7824855192      2.9605260310
 C     -1.6284128240     -0.4678304202      3.3086615208
 C     -1.5202911903      0.6979082227      3.0582079312
 C     -1.3465472347      1.9195050121      2.4674188215
 C     -0.8479078665      2.6913055009      1.6588513724
 C     -0.2154981792      3.1557504426      0.5594730823
 C      0.3613298283      3.3499353947     -0.4706184138
 C      0.8208389336      2.9966142724     -1.6527063791
 C      1.1000298213      2.4319468624     -2.6742480358
 C      1.2025006311      1.3527258019     -3.5161498569
 C      1.1903133749      0.1914931688     -3.7815162567
 C      1.1819506572     -1.1404463881     -3.6800619273
 C      1.1553220503     -2.1697738247     -3.0189507226
 C      0.9270990622     -3.0424438684     -2.0319084420
 C      0.4625136923     -3.4781752635     -0.9871826728
 C     -0.0742791307     -3.5849121231      0.2500918128
 C     -0.6022544623     -3.4735061806      1.3163309337
18
# ORCA AIMD Position Step 1897, t=1897.00 fs, E_Pot=-685.23783826 Hartree, Unit is Angstrom
 C     -1.1480449843     -2.7678975086      2.3309180718
 C     -1.4873392460     -1.7810177899      2.9545107230
 C     -1.6270622069     -0.4735289068      3.3065609186
 C     -1.5210818030      0.6964799650      3.0529182207
 C     -1.3433896925      1.9182594510      2.4701531915
 C     -0.8431577380      2.6956227811      1.6556635248
 C     -0.2116718772      3.1587443064      0.5662662982
 C      0.3695912523      3.3515304673     -0.4634821979
 C      0.8142040698      2.9939020081     -1.6499235219
 C      1.1052154785      2.4250939627     -2.6640789957
 C      1.2094261934      1.3562359383     -3.5151536132
 C      1.1928503436      0.2021636112     -3.7826484620
 C      1.1753709447     -1.1363361079     -3.6771898784
 C      1.1488251822     -2.1726173833     -3.0216607399
 C      0.9242067015     -3.0443602788     -2.0326708941
 C      0.4609179543     -3.4794725175     -0.9926945353
 C     -0.0749102387     -3.5821050855      0.2429814421
 C     -0.6084391097     -3.4736298953      1.3148557093
18
# ORCA AIMD Position Step 1898, t=1898.00 fs, E_Pot=-685.23813759 Hartree, Unit is Angstrom
 C     -1.1500286167     -2.7752529833      2.3267801473
 C     -1.4890767093     -1.7795743929      2.9487394580
 C     -1.6257596801     -0.4806027237      3.3042603831
 C     -1.5221146300      0.6968863598      3.0474379589
 C     -1.3394484053      1.9171445583      2.4723852145
 C     -0.8389941876      2.6990268623      1.6534236446
 C     -0.2085948528      3.1620587041      0.5744896828
 C      0.3778969009      3.3533708267     -0.4563693679
 C      0.8079619262      2.9917761891     -1.6476390562
 C      1.1106237755      2.4171899177     -2.6553989917
 C      1.2163510510      1.3626540788     -3.5130897944
 C      1.1955317631      0.2106919528     -3.7847063602
 C      1.1689130312     -1.1332346558     -3.6736540068
 C      1.1424183790     -2.1746044500     -3.0252571345
 C      0.9208459178     -3.0466414005     -2.0329941491
 C      0.4595467840     -3.4807127882     -0.9981760129
 C     -0.0750260542     -3.5799164886      0.2346886832
 C     -0.6150187481     -3.4733957903      1.3141253614
18
# ORCA AIMD Position Step 1899, t=1899.00 fs, E_Pot=-685.23848798 Hartree, Unit is Angstrom
 C     -1.1523740626     -2.7819652492      2.3233390156
 C     -1.4905915387     -1.7786356770      2.9430025203
 C     -1.6244970697     -0.4883514229      3.3016821856
 C     -1.5234051012      0.6985757401      3.0419042671
 C     -1.3346277607      1.9163949111      2.4738804240
 C     -0.8356662346      2.7012104202      1.6526011603
 C     -0.2060332013      3.1658175246      0.5837258383
 C      0.3861524204      3.3554091020     -0.4492096940
 C      0.8021238914      2.9902608955     -1.6457396018
 C      1.1162277420      2.4084406604     -2.6481172193
 C      1.2232896996      1.3719068568     -3.5100232831
 C      1.1983356848      0.2166540422     -3.7876934851
 C      1.1625966098     -1.1309243653     -3.6694981716
 C      1.1360928325     -2.1757237340     -3.0296669617
 C      0.9172091097     -3.0490559611     -2.0333844317
 C      0.4582484358     -3.4820463707     -1.0032680640
 C     -0.0749809982     -3.5783034192      0.2259274820
 C     -0.6215666957     -3.4730050881      1.3133133111
18
# ORCA AIMD Position Step 1900, t=1900.00 fs, E_Pot=-685.23851365 Hartree, Unit is Angstrom
 C     -1.1552271618     -2.7877199352      2.3208531767
 C     -1.4917983022     -1.7785770957      2.9371528034
 C     -1.6232621902     -0.4959548055      3.2987355099
 C     -1.5249748758      0.7008721459      3.0364777631
 C     -1.3289277345      1.9161016665      2.4745600062
 C     -0.8333096428      2.7020317341      1.6534746008
 C     -0.2037315649      3.1701413936      0.5935222261
 C      0.3942416979      3.3575735008     -0.4419136493
 C      0.7967134091      2.9893435867     -1.6441577383
 C      1.1219587174      2.3992092997     -2.6419531016
 C      1.2302596793      1.3833124287     -3.5062368970
 C      1.2012464475      0.2201727667     -3.7914964635
 C      1.1564489921     -1.1290752765     -3.6648547491
 C      1.1298246862     -2.1761601568     -3.0346789910
 C      0.9135006874     -3.0513341071     -2.0343909186
 C      0.4568804204     -3.4836215236     -1.0076409868
 C     -0.0751368287     -3.5772231903      0.2174294202
 C     -0.6276759397     -3.4726387862      1.3116337299
18
# ORCA AIMD Position Step 1901, t=1901.00 fs, E_Pot=-685.23795896 Hartree, Unit is Angstrom
 C     -1.1586543117     -2.7923825028      2.3194312528
 C     -1.4926608034     -1.7796173378      2.9311270313
 C     -1.6220435786     -0.5026131744      3.2953296099
 C     -1.5268425484      0.7030996317      3.0313126787
 C     -1.3224430038      1.9161983021      2.4745089325
 C     -0.8319316157      2.7015281581      1.6561025721
 C     -0.2014514875      3.1751298101      0.6034642713
 C      0.4020501805      3.3597776380     -0.4344024701
 C      0.7917628372      2.9889847159     -1.6428563209
 C      1.1277140092      2.3899871570     -2.6364656462
 C      1.2372819942      1.3957110680     -3.5022027404
 C      1.2042591003      0.2218147498     -3.7959063148
 C      1.1505006699     -1.1272887009     -3.6599186172
 C      1.1235797125     -2.1762326563     -3.0400000493
 C      0.9098927383     -3.0532282317     -2.0364944273
 C      0.4553431514     -3.4855520762     -1.0110702173
 C     -0.0758080085     -3.5766425920      0.2098287794
 C     -0.6330301975     -3.4724246484      1.3084789747
18
# ORCA AIMD Position Step 1902, t=1902.00 fs, E_Pot=-685.23691517 Hartree, Unit is Angstrom
 C     -1.1626329876     -2.7960129138      2.3190135150
 C     -1.4931945065     -1.7817953493      2.9249505838
 C     -1.6208325353     -0.5076583717      3.2913851803
 C     -1.5290181816      0.7046748077      3.0265350592
 C     -1.3153508502      1.9164721010      2.4739594336
 C     -0.8314100373      2.6999071845      1.6603292250
 C     -0.1989998230      3.1808519986      0.6132224295
 C      0.4094750403      3.3619287264     -0.4266270636
 C      0.7873090865      2.9891336861     -1.6417985501
 C      1.1333716367      2.3813378056     -2.6311199179
 C      1.2443813781      1.4077072025     -3.4985135293
 C      1.2073788389      0.2223849237     -3.8006633629
 C      1.1447817003     -1.1251569477     -3.6549088627
 C      1.1173221998     -2.1763063199     -3.0453254158
 C      0.9064842387     -3.0545713495     -2.0400012465
 C      0.4536076977     -3.4878892726     -1.0135027253
 C     -0.0772254381     -3.5765422673      0.2035899788
 C     -0.6374478190     -3.4724192339      1.3035014790
18
# ORCA AIMD Position Step 1903, t=1903.00 fs, E_Pot=-685.23582991 Hartree, Unit is Angstrom
 C     -1.1670605336     -2.7988464337      2.3193831109
 C     -1.4934616157     -1.7849726017      2.9187319291
 C     -1.6196261201     -0.5106268660      3.2868364933
 C     -1.5314997234      0.7051617274      3.0222347226
 C     -1.3078895209      1.9165938344      2.4732588481
 C     -0.8315183034      2.6975182395      1.6658183957
 C     -0.1962376804      3.1873421245      0.6225711118
 C      0.4164345108      3.3639377651     -0.4185729916
 C      0.7833833654      2.9897471996     -1.6409287561
 C      1.1388102701      2.3738179018     -2.6253703224
 C      1.2515846647      1.4179340022     -3.4957813844
 C      1.2106182965      0.2227165111     -3.8055085151
 C      1.1393184583     -1.1223322800     -3.6500293569
 C      1.1110226837     -2.1766970001     -3.0504075672
 C      0.9032757142     -3.0553179863     -2.0449743170
 C      0.4517317534     -3.4906057605     -1.0150872381
 C     -0.0795177708     -3.5769195256      0.1989689639
 C     -0.6408950733     -3.4726051509      1.2966432666
18
# ORCA AIMD Position Step 1904, t=1904.00 fs, E_Pot=-685.23522904 Hartree, Unit is Angstrom
 C     -1.1717704918     -2.8012480140      2.3202049528
 C     -1.4935605891     -1.7888564847      2.9126469595
 C     -1.6184250417     -0.5113017193      3.2816388307
 C     -1.5342740363      0.7043015499      3.0184649055
 C     -1.3003343767      1.9161665618      2.4728188492
 C     -0.8319564155      2.6948067821      1.6721085491
 C     -0.1930815194      3.1946000143      0.6313834103
 C      0.4228629541      3.3657275634     -0.4102569963
 C      0.7800104417      2.9908022824     -1.6401567576
 C      1.1439262892      2.3678844443     -2.6187678806
 C      1.2589137755      1.4252734331     -3.4945289591
 C      1.2139917779      0.2235199883     -3.8102205389
 C      1.1341341241     -1.1185960389     -3.6454325223
 C      1.1046660682     -2.1775871527     -3.0551121798
 C      0.9001703748     -3.0555569411     -2.0512139129
 C      0.4498483055     -3.4935975509     -1.0161576858
 C     -0.0826979737     -3.5777878817      0.1959947593
 C     -0.6434829840     -3.4729031411      1.2881278304
18
# ORCA AIMD Position Step 1905, t=1905.00 fs, E_Pot=-685.23543759 Hartree, Unit is Angstrom
 C     -1.1765606675     -2.8036491924      2.3210780972
 C     -1.4936107651     -1.7930422304      2.9069188706
 C     -1.6172377798     -0.5097368214      3.2757734441
 C     -1.5373131702      0.7020335085      3.0152412209
 C     -1.2929666662      1.9147870554      2.4730575531
 C     -0.8323971364      2.6922542239      1.6786894122
 C     -0.1895016645      3.2025911008      0.6396138453
 C      0.4287091464      3.3672387360     -0.4017282527
 C      0.7772053750      2.9923004928     -1.6393508858
 C      1.1486513581      2.3638097106     -2.6110612209
 C      1.2663761518      1.4290137117     -3.4950888512
 C      1.2175097508      0.2252962562     -3.8146382131
 C      1.1292467527     -1.1139039481     -3.6411980160
 C      1.0982586623     -2.1789737531     -3.0594418829
 C      0.8969972362     -3.0554947903     -2.0583017885
 C      0.4481402094     -3.4967043307     -1.0171658787
 C     -0.0866583206     -3.5791759147      0.1944606485
 C     -0.6454465834     -3.4731907266      1.2784304573
18
# ORCA AIMD Position Step 1906, t=1906.00 fs, E_Pot=-685.23635014 Hartree, Unit is Angstrom
 C     -1.1812246557     -2.8064726880      2.3216006888
 C     -1.4937342922     -1.7970761648      2.9017835456
 C     -1.6160812861     -0.5062700999      3.2692588811
 C     -1.5405734731      0.6985135308      3.0125417482
 C     -1.2860351297      1.9121209090      2.4743264319
 C     -0.8325388190      2.6903024733      1.6850860746
 C     -0.1855156193      3.2112501312      0.6472835294
 C      0.4339386259      3.3684356546     -0.3930708068
 C      0.7749683290      2.9942714404     -1.6383379762
 C      1.1529652284      2.3616194527     -2.6022682741
 C      1.2739563345      1.4289456725     -3.4975273289
 C      1.2211741214      0.2282831017     -3.8186725766
 C      1.1246705182     -1.1083972462     -3.6373300784
 C      1.0918292120     -2.1806598200     -3.0635300234
 C      0.8935506417     -3.0554136787     -2.0656860601
 C      0.4467964129     -3.4997413651     -1.0185866170
 C     -0.0911712600     -3.5811239024      0.1939318930
 C     -0.6471178033     -3.4733246291      1.2682266318
18
# ORCA AIMD Position Step 1907, t=1907.00 fs, E_Pot=-685.23748550 Hartree, Unit is Angstrom
 C     -1.1855893809     -2.8100519159      2.3214376728
 C     -1.4940333736     -1.8005366220      2.8974444944
 C     -1.6149831619     -0.5015151766      3.2621562461
 C     -1.5439973736      0.6941166246      3.0103064489
 C     -1.2797118243      1.9079810955      2.4768346233
 C     -0.8321570229      2.6892742052      1.6909501796
 C     -0.1811831073      3.2204873216      0.6544734725
 C      0.4385420045      3.3693092070     -0.3844076618
 C      0.7732833134      2.9967690002     -1.6369102094
 C      1.1569015119      2.3610853517     -2.5926858833
 C      1.2816178346      1.4253938772     -3.5016207892
 C      1.2249734768      0.2324238201     -3.8223137469
 C      1.1204141201     -1.1023661939     -3.6337720324
 C      1.0854230771     -2.1822987300     -3.0676022111
 C      0.8896329614     -3.0556140510     -2.0727953035
 C      0.4459698117     -3.5025373502     -1.0208194516
 C     -0.0959123783     -3.5836804608      0.1937878693
 C     -0.6488840531     -3.4731618431      1.2583086025
18
# ORCA AIMD Position Step 1908, t=1908.00 fs, E_Pot=-685.23824161 Hartree, Unit is Angstrom
 C     -1.1895464186     -2.8145595292      2.3203792981
 C     -1.4945699801     -1.8031211554      2.8940269811
 C     -1.6139803355     -0.4963101375      3.2545689150
 C     -1.5475200795      0.6894042786      3.0084421005
 C     -1.2740573009      1.9023892781      2.4805955854
 C     -0.8311404982      2.6893103212      1.6961251999
 C     -0.1765981583      3.2301996186      0.6613205453
 C      0.4425418663      3.3698760583     -0.3758981739
 C      0.7721196886      2.9998603067     -1.6348449477
 C      1.1605408543      2.3617813386     -2.5828236390
 C      1.2893135080      1.4191672193     -3.5068932170
 C      1.2288825824      0.2373583471     -3.8256347701
 C      1.1164792518     -1.0961807714     -3.6304342062
 C      1.0790889716     -2.1834771956     -3.0719147852
 C      0.8850931548     -3.0563527478     -2.0791551287
 C      0.4457446009     -3.5049673854     -1.0241149022
 C     -0.1005094750     -3.5868954736      0.1933165101
 C     -0.6511323642     -3.4725825949      1.2494625475
18
# ORCA AIMD Position Step 1909, t=1909.00 fs, E_Pot=-685.23824066 Hartree, Unit is Angstrom
 C     -1.1930718193     -2.8199642460      2.3183766230
 C     -1.4953525332     -1.8047126609      2.8915473262
 C     -1.6131169617     -0.4916140518      3.2466325784
 C     -1.5510793774      0.6850417026      3.0068387908
 C     -1.2690102088      1.8955977947      2.4854169656
 C     -0.8295001229      2.6903488871      1.7006675151
 C     -0.1718762278      3.2402833872      0.6680035783
 C      0.4459921093      3.3701728886     -0.3677267313
 C      0.7714428082      3.0036064478     -1.6319385974
 C      1.1639894632      2.3631881153     -2.5732831174
 C      1.2969997970      1.4114374164     -3.5127042095
 C      1.2328631966      0.2424541497     -3.8287850544
 C      1.1128614774     -1.0902110747     -3.6272270766
 C      1.0728670941     -2.1838122569     -3.0766876709
 C      0.8798525877     -3.0577917378     -2.0844805827
 C      0.4461217327     -3.5069744427     -1.0285374879
 C     -0.1046174000     -3.5908101151      0.1918560643
 C     -0.6541777090     -3.4715124718      1.2423205302
18
# ORCA AIMD Position Step 1910, t=1910.00 fs, E_Pot=-685.23755266 Hartree, Unit is Angstrom
 C     -1.1962283151     -2.8260318924      2.3155457797
 C     -1.4963372342     -1.8053951116      2.8899103973
 C     -1.6124382947     -0.4883716019      3.2384934465
 C     -1.5546270195      0.6816777534      3.0053966333
 C     -1.2644053453      1.8880585684      2.4909358779
 C     -0.8273423935      2.6921614140      1.7048030914
 C     -0.1671462092      3.2506387594      0.6747359852
 C      0.4489661552      3.3702530558     -0.3600764760
 C      0.7712331014      3.0080347729     -1.6280569037
 C      1.1673531870      2.3647950769     -2.5646409120
 C      1.3046462229      1.4035748363     -3.5183440760
 C      1.2368661938      0.2468891643     -3.8319699907
 C      1.1095538649     -1.0847528916     -3.6240914890
 C      1.0667777370     -2.1830475115     -3.0820397899
 C      0.8739178123     -3.0599591929     -2.0887364027
 C      0.4470185570     -3.5085777588     -1.0339611016
 C     -0.1079923847     -3.5954461251      0.1889370812
 C     -0.6581945761     -3.4699393728      1.2372279671
18
# ORCA AIMD Position Step 1911, t=1911.00 fs, E_Pot=-685.23663597 Hartree, Unit is Angstrom
 C     -1.1991498078     -2.8323684835      2.3121423524
 C     -1.4974390045     -1.8054326636      2.8889275892
 C     -1.6119856948     -0.4873468048      3.2302850759
 C     -1.5581382012      0.6797950633      3.0040557639
 C     -1.2600131055      1.8803590752      2.4966901598
 C     -0.8248278328      2.6944204936      1.7088569791
 C     -0.1625353996      3.2611745935      0.6817366974
 C      0.4515431367      3.3701768576     -0.3531089326
 C      0.7715054643      3.0131086295     -1.6231797927
 C      1.1707056133      2.3661983699     -2.5573323464
 C      1.3122377237      1.3969363054     -3.5231405743
 C      1.2408375134      0.2498058105     -3.8354108825
 C      1.1065503220     -1.0799909691     -3.6210171451
 C      1.0608173517     -2.1811038628     -3.0879597746
 C      0.8673813501     -3.0627391594     -2.0921508893
 C      0.4482799406     -3.5098725192     -1.0400861116
 C     -0.1105505654     -3.6007939156      0.1843957815
 C     -0.6631687557     -3.4679245311      1.2341555929
18
# ORCA AIMD Position Step 1912, t=1912.00 fs, E_Pot=-685.23599917 Hartree, Unit is Angstrom
 C     -1.2020116849     -2.8384955099      2.3085102292
 C     -1.4985530585     -1.8052088911      2.8883570017
 C     -1.6117897852     -0.4889735731      3.2221060216
 C     -1.5616182362      0.6795767027      3.0028221067
 C     -1.2555863793      1.8731366218      2.5021983590
 C     -0.8221192669      2.6967859261      1.7131597857
 C     -0.1581580587      3.2718032481      0.6892064374
 C      0.4537859543      3.3700064330     -0.3469304955
 C      0.7723235482      3.0187080921     -1.6174343834
 C      1.1740676689      2.3671514068     -2.5515933910
 C      1.3197657662      1.3926274467     -3.5265463825
 C      1.2447293853      0.2505311998     -3.8392905071
 C      1.1038486458     -1.0759855890     -3.6180522878
 C      1.0549589539     -2.1781078871     -3.0942960473
 C      0.8604090116     -3.0658858113     -2.0951803291
 C      0.4496987224     -3.5110141605     -1.0464824572
 C     -0.1123803284     -3.6068055224      0.1784004629
 C     -0.6688949602     -3.4656015826      1.2327015680
18
# ORCA AIMD Position Step 1913, t=1913.00 fs, E_Pot=-685.23585001 Hartree, Unit is Angstrom
 C     -1.2049943666     -2.8439422423      2.3050130528
 C     -1.4995773592     -1.8051487708      2.8879490833
 C     -1.6118689106     -0.4932573733      3.2140085983
 C     -1.5650975286      0.6808326609      3.0017728918
 C     -1.2509098106      1.8669806935      2.5070438571
 C     -0.8193418949      2.6989817743      1.7179723701
 C     -0.1540986558      3.2824413969      0.6972887468
 C      0.4557258748      3.3697979420     -0.3415736394
 C      0.7737968823      3.0246305670     -1.6110889748
 C      1.1774015483      2.3675828913     -2.5474432437
 C      1.3272127434      1.3912810727     -3.5282143855
 C      1.2485138559      0.2487880850     -3.8436936331
 C      1.1014526812     -1.0726767998     -3.6153041096
 C      1.0491577045     -2.1743726529     -3.1007809246
 C      0.8532164130     -3.0690658651     -2.0984311993
 C      0.4510441878     -3.5121965334     -1.0526504618
 C     -0.1137143763     -3.6133951997      0.1714025263
 C     -0.6750199215     -3.4631602563      1.2321834494
18
# ORCA AIMD Position Step 1914, t=1914.00 fs, E_Pot=-685.23600281 Hartree, Unit is Angstrom
 C     -1.2082552291     -2.8483156291      2.3019832337
 C     -1.5004278807     -1.8056652203      2.8874778703
 C     -1.6122318300     -0.4997970109      3.2060118527
 C     -1.5686238394      0.6830532083      3.0010367128
 C     -1.2458238076      1.8623687543      2.5109158289
 C     -0.8165595335      2.7008353767      1.7234414748
 C     -0.1504082236      3.2930056788      0.7060565450
 C      0.4573519366      3.3695994571     -0.3369768076
 C      0.7760682858      3.0306102591     -1.6045267931
 C      1.1806196163      2.3675698336     -2.5447171787
 C      1.3345392468      1.3929529723     -3.5280254593
 C      1.2521957536      0.2448272278     -3.8485792191
 C      1.0993714442     -1.0699314797     -3.6129197708
 C      1.0433586120     -2.1703484540     -3.1070732380
 C      0.8460260079     -3.0719241808     -2.1025333864
 C      0.4520982466     -3.5136100170     -1.0581111736
 C     -0.1148570359     -3.6204532370      0.1640002562
 C     -0.6811221488     -3.4608162713      1.2317926643
18
# ORCA AIMD Position Step 1915, t=1915.00 fs, E_Pot=-685.23612261 Hartree, Unit is Angstrom
 C     -1.2118914793     -2.8513828608      2.2996390599
 C     -1.5010571994     -1.8070831122      2.8867828559
 C     -1.6128797903     -0.5078674751      3.1981068983
 C     -1.5722460344      0.6855143333      3.0007621641
 C     -1.2402556758      1.8595798777      2.5136634451
 C     -0.8137562486      2.7023200437      1.7295686332
 C     -0.1470946175      3.3034133740      0.7154980954
 C      0.4586092790      3.3694482153     -0.3329926681
 C      0.7792887966      3.0363553917     -1.5981766074
 C      1.1836056232      2.3672973972     -2.5431221119
 C      1.3416837465      1.3971464516     -3.5260777409
 C      1.2558162278      0.2394004668     -3.8537820657
 C      1.0976165854     -1.0675683853     -3.6110681801
 C      1.0375028633     -2.1665569067     -3.1128127200
 C      0.8390223078     -3.0741516836     -2.1080107471
 C      0.4526946439     -3.5154043402     -1.0625038349
 C     -0.1161262621     -3.6278578888      0.1568244489
 C     -0.6867952142     -3.4587741293      1.2307561732
18
# ORCA AIMD Position Step 1916, t=1916.00 fs, E_Pot=-685.23602521 Hartree, Unit is Angstrom
 C     -1.2159223495     -2.8531085926      2.2980439430
 C     -1.5014602784     -1.8096030842      2.8857831868
 C     -1.6138102262     -0.5165782518      3.1902766587
 C     -1.5759970557      0.6874544094      3.0010741912
 C     -1.2342289025      1.8586533489      2.5153104235
 C     -0.8108420732      2.7035515162      1.7362211342
 C     -0.1441203092      3.3135900141      0.7255181126
 C      0.4594082995      3.3693685949     -0.3294086865
 C      0.7835911574      3.0415940555     -1.5924381043
 C      1.1862399564      2.3670055946     -2.5423048113
 C      1.3485733577      1.4029854956     -3.5226330545
 C      1.2594441394      0.2335890250     -3.8590531450
 C      1.0961996148     -1.0654096737     -3.6099097895
 C      1.0315352931     -2.1634964607     -3.1176833197
 C      0.8323081672     -3.0755542623     -2.1151546850
 C      0.4527502158     -3.5176506017     -1.0656777255
 C     -0.1177949968     -3.6354946214      0.1504205180
 C     -0.6917212694     -3.4571912884      1.2284749963
18
# ORCA AIMD Position Step 1917, t=1917.00 fs, E_Pot=-685.23577081 Hartree, Unit is Angstrom
 C     -1.2202827562     -2.8536623652      2.2970865009
 C     -1.5016746929     -1.8132806593      2.8844846927
 C     -1.6150208282     -0.5250299951      3.1825106052
 C     -1.5798797338      0.6882298599      3.0020417441
 C     -1.2278615869      1.8593821929      2.5160464012
 C     -0.8076697226      2.7047636774      1.7431635846
 C     -0.1414057518      3.3234746224      0.7359449701
 C      0.4596400297      3.3693717933     -0.3259819459
 C      0.7890677758      3.0461099083     -1.5876165295
 C      1.1884205917      2.3669419603     -2.5419139400
 C      1.3551377364      1.4094405745     -3.5180430894
 C      1.2631600880      0.2285696015     -3.8641123258
 C      1.0951290059     -1.0633287525     -3.6095696087
 C      1.0254133234     -2.1615488942     -3.1214685118
 C      0.8258818844     -3.0760961019     -2.1239489063
 C      0.4522785470     -3.5203207930     -1.0677369910
 C     -0.1200545497     -3.6432681106      0.1451749742
 C     -0.6957144395     -3.4561565756      1.2246054149
18
# ORCA AIMD Position Step 1918, t=1918.00 fs, E_Pot=-685.23554030 Hartree, Unit is Angstrom
 C     -1.2248319971     -2.8533926519      2.2964943757
 C     -1.5017756886     -1.8180213053      2.8829757372
 C     -1.6165111028     -0.5324436670      3.1748128550
 C     -1.5838585496      0.6874172590      3.0036620381
 C     -1.2213505460      1.8613499243      2.5161912229
 C     -0.8040635031      2.7062634152      1.7501064527
 C     -0.1388362912      3.3330237457      0.7465421638
 C      0.4591944982      3.3694571304     -0.3224782637
 C      0.7957551459      3.0497638089     -1.5838807174
 C      1.1900774482      2.3673255760     -2.5416462906
 C      1.3613191660      1.4155294917     -3.5126805360
 C      1.2670399207      0.2254004814     -3.8686936579
 C      1.0944082255     -1.0612842708     -3.6101168182
 C      1.0191164549     -2.1609016050     -3.1240915978
 C      0.8196404327     -3.0759099904     -2.1340617507
 C      0.4513786525     -3.5232939445     -1.0690216989
 C     -0.1229951138     -3.6511076122      0.1412778941
 C     -0.6987334787     -3.4556854439      1.2190833637
18
# ORCA AIMD Position Step 1919, t=1919.00 fs, E_Pot=-685.23550182 Hartree, Unit is Angstrom
 C     -1.2293758991     -2.8527736142      2.2958800594
 C     -1.5018663123     -1.8235941596      2.8814121171
 C     -1.6182825013     -0.5382485586      3.1672046811
 C     -1.5878606094      0.6848549474      3.0058621949
 C     -1.2149405657      1.8640088675      2.5161351746
 C     -0.7998547547      2.7083686097      1.7567656559
 C     -0.1362730635      3.3422136041      0.7570255240
 C      0.4579771655      3.3696155671     -0.3186999178
 C      0.8036287494      3.0525007032     -1.5812521459
 C      1.1911791235      2.3683231817     -2.5412763137
 C      1.3670782826      1.4204484362     -3.5068896334
 C      1.2711411125      0.2248824573     -3.8725731062
 C      1.0940347165     -1.0593374819     -3.6115539670
 C      1.0126540993     -2.1615041807     -3.1256343092
 C      0.8134047854     -3.0752751057     -2.1449019942
 C      0.4502049475     -3.5263823309     -1.0700381653
 C     -0.1266016783     -3.6589687179      0.1387161462
 C     -0.7008688955     -3.4557300950      1.2120997781
18
# ORCA AIMD Position Step 1920, t=1920.00 fs, E_Pot=-685.23574637 Hartree, Unit is Angstrom
 C     -1.2336949599     -2.8523372119      2.2947980468
 C     -1.5020649165     -1.8296603341      2.8799936318
 C     -1.6203364249     -0.5421489379      3.1597228204
 C     -1.5917834295      0.6806528098      3.0085117726
 C     -1.2088864629      1.8667743654      2.5162702232
 C     -0.7949204352      2.7113441429      1.7629254627
 C     -0.1335629502      3.3510401574      0.7670825036
 C      0.4559309525      3.3698318429     -0.3145294479
 C      0.8125993970      3.0543476302     -1.5795955179
 C      1.1917338320      2.3700346329     -2.5406712310
 C      1.3723956855      1.4236484004     -3.5009490144
 C      1.2754919116      0.2274635979     -3.8755798821
 C      1.0940012215     -1.0576204166     -3.6138256212
 C      1.0060689150     -2.1630655889     -3.1263348006
 C      0.8069599069     -3.0745745815     -2.1557209517
 C      0.4489217668     -3.5293758107     -1.0713399608
 C     -0.1307532227     -3.6668313176      0.1372722647
 C     -0.7023209139     -3.4561947147      1.2040580645
18
# ORCA AIMD Position Step 1921, t=1921.00 fs, E_Pot=-685.23628228 Hartree, Unit is Angstrom
 C     -1.2375799260     -2.8525861620      2.2928219806
 C     -1.5024883016     -1.8358275468      2.8789264866
 C     -1.6226741430     -0.5441521716      3.1524182390
 C     -1.5955053318      0.6751705801      3.0114388800
 C     -1.2034075176      1.8691331531      2.5169147894
 C     -0.7892160420      2.7153326773      1.7684936060
 C     -0.1305581908      3.3595177504      0.7764080147
 C      0.4530495459      3.3700881134     -0.3099450328
 C      0.8225183576      3.0554061388     -1.5786408252
 C      1.1917893642      2.3724847906     -2.5397975248
 C      1.3772713668      1.4248719259     -3.4950490989
 C      1.2800848928      0.2332054418     -3.8776065388
 C      1.0942990598     -1.0563061979     -3.6168284513
 C      0.9994344622     -2.1650959861     -3.1265555105
 C      0.8000941232     -3.0742332210     -2.1657350872
 C      0.4476650173     -3.5320825306     -1.0734230452
 C     -0.1352360851     -3.6746991314      0.1365516784
 C     -0.7033645233     -3.4569561588      1.1955037777
18
# ORCA AIMD Position Step 1922, t=1922.00 fs, E_Pot=-685.23703613 Hartree, Unit is Angstrom
 C     -1.2408684203     -2.8539025296      2.2896192253
 C     -1.5032322652     -1.8417339956      2.8783821900
 C     -1.6252952696     -0.5445428874      3.1453494106
 C     -1.5989011137      0.6689622056      3.0144572716
 C     -1.1986522308      1.8707256869      2.5182572504
 C     -0.7827930498      2.7203215801      1.7735327958
 C     -0.1271304989      3.3676700650      0.7847307941
 C      0.4493856123      3.3703706170     -0.3050258877
 C      0.8331887843      3.0558358554     -1.5780134068
 C      1.1914300217      2.3756230759     -2.5387193986
 C      1.3817184143      1.4241439459     -3.4892777051
 C      1.2848815208      0.2418060543     -3.8786101250
 C      1.0949167842     -1.0555366855     -3.6204452504
 C      0.9928454239     -2.1670099132     -3.1267183523
 C      0.7926324896     -3.0746578745     -2.1742380292
 C      0.4465165471     -3.5343617175     -1.0766444981
 C     -0.1397745422     -3.6825910091      0.1360410028
 C     -0.7043018406     -3.4578911495      1.1870328294
18
# ORCA AIMD Position Step 1923, t=1923.00 fs, E_Pot=-685.23782257 Hartree, Unit is Angstrom
 C     -1.2434694733     -2.8564756388      2.2850100789
 C     -1.5043535391     -1.8471234226      2.8784488922
 C     -1.6281984826     -0.5438499686      3.1385830892
 C     -1.6018494352      0.6627315794      3.0173759391
 C     -1.1946752888      1.8713954388      2.5203287851
 C     -0.7758020891      2.7261187926      1.7782635761
 C     -0.1231937302      3.3755284763      0.7918622464
 C      0.4450560059      3.3706695894     -0.2999561801
 C      0.8443808118      3.0558392721     -1.5772762897
 C      1.1907666488      2.3793338072     -2.5375792691
 C      1.3857650828      1.4217924575     -3.4836095330
 C      1.2898091549      0.2526014783     -3.8786284235
 C      1.0958474297     -1.0554011488     -3.6245537924
 C      0.9864018093     -2.1682157526     -3.1272369335
 C      0.7844672797     -3.0761593694     -2.1807240410
 C      0.4454855549     -3.5361489679     -1.0811595778
 C     -0.1440684008     -3.6905359980      0.1351807686
 C     -0.7054200365     -3.4588918421      1.1792057311
18
# ORCA AIMD Position Step 1924, t=1924.00 fs, E_Pot=-685.23837405 Hartree, Unit is Angstrom
 C     -1.2453787193     -2.8602640871      2.2789982420
 C     -1.5058597021     -1.8519019767      2.8791082378
 C     -1.6313821913     -0.5427498479      3.1321844819
 C     -1.6042465040      0.6572392994      3.0200235354
 C     -1.1914410246      1.8711809901      2.5230189998
 C     -0.7684628866      2.7323998048      1.7830193901
 C     -0.1187208692      3.3831174190      0.7977253022
 C      0.4402413265      3.3709804359     -0.2950198407
 C      0.8558489885      3.0556388800     -1.5759684516
 C      1.1899284084      2.3834476195     -2.5365776751
 C      1.3894496396      1.4184234987     -3.4779018941
 C      1.2947728080      0.2646303048     -3.8777830815
 C      1.0970882253     -1.0558814172     -3.6290596438
 C      0.9801897708     -2.1682444092     -3.1284330276
 C      0.7755757703     -3.0788918948     -2.1849766112
 C      0.4445013407     -3.5374723900     -1.0868873319
 C     -0.1478410578     -3.6985570199      0.1334557508
 C     -0.7069399071     -3.4598908858      1.1724501231
18
# ORCA AIMD Position Step 1925, t=1925.00 fs, E_Pot=-685.23847540 Hartree, Unit is Angstrom
 C     -1.2466792701     -2.8649999417      2.2717754483
 C     -1.5077095234     -1.8561580575      2.8802289976
 C     -1.6348440365     -0.5419364334      3.1262107724
 C     -1.6060132827      0.6531862167      3.0222630253
 C     -1.1888392094      1.8702806232      2.5261140032
 C     -0.7610267330      2.7387661672      1.7881836697
 C     -0.1137501066      3.3904478500      0.8023714285
 C      0.4351683195      3.3713037584     -0.2905680876
 C      0.8673577162      3.0554468444     -1.5736656010
 C      1.1890446037      2.3877852165     -2.5359194525
 C      1.3928196719      1.4148477720     -3.4719226580
 C      1.2996637380      0.2767290261     -3.8762757813
 C      1.0986442632     -1.0568510326     -3.6339057012
 C      0.9742646383     -2.1668266115     -3.1304790877
 C      0.7660288800     -3.0828079303     -2.1871235093
 C      0.4434226462     -3.5384543638     -1.0935211970
 C     -0.1508947247     -3.7066595050      0.1304971905
 C     -0.7089703020     -3.4608813861      1.1669746535
18
# ORCA AIMD Position Step 1926, t=1926.00 fs, E_Pot=-685.23811304 Hartree, Unit is Angstrom
 C     -1.2475246230     -2.8702468004      2.2636851801
 C     -1.5098246407     -1.8601275467      2.8815906584
 C     -1.6385795467     -0.5419828706      3.1207031696
 C     -1.6071005259      0.6510919635      3.0240028685
 C     -1.1867148141      1.8689879658      2.5293513136
 C     -0.7537297609      2.7448227640      1.7941144789
 C     -0.1083847137      3.3975087586      0.8059805436
 C      0.4300898109      3.3716440336     -0.2869860368
 C      0.8787028508      3.0554359043     -1.5700323071
 C      1.1882278774      2.3921950812     -2.5357616827
 C      1.3959274455      1.4119646363     -3.4653925099
 C      1.3043721794      0.2876741146     -3.8743630053
 C      1.1005294826     -1.0580826878     -3.6390778363
 C      0.9686406108     -2.1639346095     -3.1333734565
 C      0.7559889072     -3.0876488947     -2.1876431358
 C      0.4420500365     -3.5393050938     -1.1005516498
 C     -0.1531448359     -3.7148197902      0.1261471337
 C     -0.7114855014     -3.4619267101      1.1627272576
18
# ORCA AIMD Position Step 1927, t=1927.00 fs, E_Pot=-685.23757255 Hartree, Unit is Angstrom
 C     -1.2481107836     -2.8754832615      2.2551608974
 C     -1.5121089857     -1.8641272593      2.8829279992
 C     -1.6425808090     -0.5432209067      3.1156800293
 C     -1.6074902056      0.6511898516      3.0252056917
 C     -1.1849004655      1.8676265725      2.5324722051
 C     -0.7467524812      2.7502480769      1.8010792448
 C     -0.1027806779      3.4042600062      0.8088333912
 C      0.4252599713      3.3720094157     -0.2846422004
 C      0.8897264909      3.0557126900     -1.5648695252
 C      1.1875569542      2.3965945512     -2.5361625192
 C      1.3988225141      1.4105916943     -3.4580521012
 C      1.3088055419      0.2963628625     -3.8723080236
 C      1.1027638255     -1.0592701023     -3.6446024452
 C      0.9632899056     -2.1597733881     -3.1369535775
 C      0.7456900277     -3.0929784382     -2.1873027886
 C      0.4401502534     -3.5403026503     -1.1073263398
 C     -0.1546291586     -3.7229800705      0.1204773266
 C     -0.7143304523     -3.4631589737      1.1594067649
18
# ORCA AIMD Position Step 1928, t=1928.00 fs, E_Pot=-685.23730622 Hartree, Unit is Angstrom
 C     -1.2486405507     -2.8802026473      2.2466559458
 C     -1.5144703998     -1.8684671393      2.8839767443
 C     -1.6468315704     -0.5456740060      3.1111390994
 C     -1.6071963936      0.6533670522      3.0258818147
 C     -1.1832419585      1.8664979989      2.5352650716
 C     -0.7401981146      2.7548338068      1.8092105040
 C     -0.0971223365      3.4106352870      0.8112666979
 C      0.4209009092      3.3724078873     -0.2838325918
 C      0.9003273746      3.0563046135     -1.5581448261
 C      1.1870661135      2.4010009788     -2.5370416847
 C      1.4015460859      1.4112718643     -3.4497516884
 C      1.3128980505      0.3020094275     -3.8703136426
 C      1.1053744884     -1.0600757085     -3.6505325733
 C      0.9581506512     -2.1547210037     -3.1409429695
 C      0.7354048515     -3.0982556787     -2.1870312380
 C      0.4374924201     -3.5417488223     -1.1131515724
 C     -0.1554950002     -3.7310574011      0.1137647556
 C     -0.7172534810     -3.4647568673      1.1565274505
18
# ORCA AIMD Position Step 1929, t=1929.00 fs, E_Pot=-685.23765924 Hartree, Unit is Angstrom
 C     -1.2492925835     -2.8839861963      2.2385718534
 C     -1.5168365038     -1.8733804229      2.8845190332
 C     -1.6513007814     -0.5490760728      3.1070567313
 C     -1.6062649666      0.6571855629      3.0260844662
 C     -1.1816203944      1.8658375674      2.5375894726
 C     -0.7340796969      2.7585161414      1.8184836046
 C     -0.0915948703      3.4165387052      0.8136074695
 C      0.4171740951      3.3728532098     -0.2847163955
 C      0.9104565143      3.0571599982     -1.5499995327
 C      1.1867476753      2.4055318198     -2.5381798126
 C      1.4041183169      1.4141153727     -3.4405175898
 C      1.3166252818      0.3043071079     -3.8684619027
 C      1.1083856414     -1.0601808344     -3.6569270278
 C      0.9531433374     -2.1492502426     -3.1450107675
 C      0.7253985370     -3.1029296595     -2.1877440649
 C      0.4338931541     -3.5439151701     -1.1174296989
 C     -0.1559605339     -3.7389532194      0.1064269217
 C     -0.7199623440     -3.4669162168      1.1535312578
18
# ORCA AIMD Position Step 1930, t=1930.00 fs, E_Pot=-685.23859595 Hartree, Unit is Angstrom
 C     -1.2501904000     -2.8865650429      2.2311959784
 C     -1.5191670752     -1.8789662241      2.8844135784
 C     -1.6559400628     -0.5529517343      3.1033954117
 C     -1.6047691442      0.6619651847      3.0258948225
 C     -1.1799646504      1.8657887488      2.5393903022
 C     -0.7283258394      2.7613740899      1.8287190700
 C     -0.0863547515      3.4218529105      0.8161135115
 C      0.4141548557      3.3733660351     -0.2872662533
 C      0.9201095256      3.0581675079     -1.5407265567
 C      1.1865611404      2.4103833289     -2.5392477765
 C      1.4065386478      1.4187511752     -3.4305799457
 C      1.3200029473      0.3034850075     -3.8666874156
 C      1.1118086616     -1.0593511788     -3.6638237991
 C      0.9481906771     -2.1438330477     -3.1488369114
 C      0.7158824459     -3.1065430722     -2.1901489675
 C      0.4292629166     -3.5469768576     -1.1198160816
 C     -0.1562757242     -3.7465715470      0.0989486957
 C     -0.7221852643     -3.4698106570      1.1499054304
18
# ORCA AIMD Position Step 1931, t=1931.00 fs, E_Pot=-685.23966425 Hartree, Unit is Angstrom
 C     -1.2513833183     -2.8878552133      2.2246550483
 C     -1.5214600460     -1.8851612624      2.8836127206
 C     -1.6606863567     -0.5567367892      3.1001107620
 C     -1.6028003628      0.6669102559      3.0254064818
 C     -1.1782564248      1.8663879518      2.5407000528
 C     -0.7227938250      2.7636144246      1.8396061187
 C     -0.0815068337      3.4264498157      0.8189269835
 C      0.4118203950      3.3739770513     -0.2912424553
 C      0.9293155027      3.0591835507     -1.5307215708
 C      1.1864501751      2.4157872260     -2.5398695530
 C      1.4087905829      1.4244205830     -3.4203345435
 C      1.3230820916      0.3002313475     -3.8647972769
 C      1.1156377846     -1.0574958645     -3.6712132299
 C      0.9432297285     -2.1388508379     -3.1521690292
 C      0.7069691955     -3.1088133609     -2.1945924742
 C      0.4236404825     -3.5509623624     -1.1203447016
 C     -0.1566835716     -3.7538394592      0.0918065651
 C     -0.7237257691     -3.4735550327      1.1452885317
18
# ORCA AIMD Position Step 1932, t=1932.00 fs, E_Pot=-685.24026351 Hartree, Unit is Angstrom
 C     -1.2528382783     -2.8879594944      2.2188948599
 C     -1.5237518490     -1.8917426028      2.8821624607
 C     -1.6654672740     -0.5599006460      3.0971534822
 C     -1.6004561910      0.6712428778      3.0247097291
 C     -1.1765286454      1.8675665435      2.5416292712
 C     -0.7172896060      2.7655383170      1.8507500769
 C     -0.0770931737      3.4302050031      0.8220576193
 C      0.4100553091      3.3747279700     -0.2962057387
 C      0.9381245146      3.0600680692     -1.5204199598
 C      1.1863628679      2.4219516715     -2.5396982545
 C      1.4108506203      1.4301738736     -3.4102517583
 C      1.3259376225      0.2955183980     -3.8625284289
 C      1.1198397326     -1.0547050127     -3.6790244407
 C      0.9382236941     -2.1345305121     -3.1548599223
 C      0.6986566033     -3.1096685461     -2.2009995582
 C      0.4171959919     -3.5557400910     -1.1194655723
 C     -0.1573865160     -3.7607207772      0.0854014474
 C     -0.7245025002     -3.4781842329      1.1395400876
18
# ORCA AIMD Position Step 1933, t=1933.00 fs, E_Pot=-685.23998936 Hartree, Unit is Angstrom
 C     -1.2544484415     -2.8871425700      2.2136965682
 C     -1.5261121899     -1.8983536803      2.8801866050
 C     -1.6702091332     -0.5620418529      3.0944762432
 C     -1.5978277614      0.6743141467      3.0238765420
 C     -1.1748505730      1.8691735903      2.5423427033
 C     -0.7115984708      2.7674904357      1.8617270629
 C     -0.0730963553      3.4330110408      0.8254038715
 C      0.4086732862      3.3756706515     -0.3015728857
 C      0.9465986240      3.0607142086     -1.5102341612
 C      1.1862694087      2.4290038728     -2.5384877843
 C      1.4126957728      1.4350893918     -3.4007717435
 C      1.3286504498      0.2903991421     -3.8596116368
 C      1.1243557056     -1.0512488067     -3.6871271233
 C      0.9331668490     -2.1309210209     -3.1568793396
 C      0.6908407101     -3.1092308835     -2.2089287638
 C      0.4101983561     -3.5610435025     -1.1179690854
 C     -0.1585237892     -3.7672267662      0.0800104053
 C     -0.7245613885     -3.4836454793      1.1327596227
18
# ORCA AIMD Position Step 1934, t=1934.00 fs, E_Pot=-685.23888761 Hartree, Unit is Angstrom
 C     -1.2560585808     -2.8857679570      2.2087264785
 C     -1.5286311585     -1.9045638449      2.8778587665
 C     -1.6748448287     -0.5629359335      3.0920341584
 C     -1.5949872662      0.6756739238      3.0229540912
 C     -1.1733113630      1.8710096605      2.5430270183
 C     -0.7055156466      2.7698055308      1.8721458459
 C     -0.0694547285      3.4347852595      0.8287805347
 C      0.4074501537      3.3768666648     -0.3066828907
 C      0.9548000964      3.0610615883     -1.5005097599
 C      1.1861785374      2.4369528373     -2.5361405671
 C      1.4143001460      1.4384392740     -3.3922228017
 C      1.3313010922      0.2858495819     -3.8558201632
 C      1.1291007071     -1.0475449912     -3.6953444353
 C      0.9280858791     -2.1279068035     -3.1583067954
 C      0.6833499674     -3.1077569854     -2.2177094524
 C      0.4029620017     -3.5665361896     -1.1168233625
 C     -0.1601551106     -3.7734122490      0.0757508006
 C     -0.7240646506     -3.4898130940      1.1252650860
18
# ORCA AIMD Position Step 1935, t=1935.00 fs, E_Pot=-685.23744552 Hartree, Unit is Angstrom
 C     -1.2574973965     -2.8842265316      2.2036095290
 C     -1.5314031185     -1.9099332986      2.8753616144
 C     -1.6793190470     -0.5625588255      3.0897901108
 C     -1.5919809539      0.6751127377      3.0219580834
 C     -1.1719920225      1.8728773988      2.5438504907
 C     -0.6988824686      2.7727444127      1.8817011523
 C     -0.0660820709      3.4354765685      0.8319678516
 C      0.4061607754      3.3783790359     -0.3108826886
 C      0.9627793691      3.0611052549     -1.4914898328
 C      1.1861415804      2.4456706625     -2.5327257755
 C      1.4156371355      1.4397904667     -3.3847764086
 C      1.3339579170      0.2826510748     -3.8509988880
 C      1.1339726326     -1.0440988304     -3.7034716372
 C      0.9230337817     -2.1252460935     -3.1593075639
 C      0.6759880245     -3.1055696262     -2.2265969816
 C      0.3957886488     -3.5718737102     -1.1169932404
 C     -0.1622510351     -3.7793687360      0.0725600534
 C     -0.7232645302     -3.4965072579      1.1175402335
18
# ORCA AIMD Position Step 1936, t=1936.00 fs, E_Pot=-685.23634573 Hartree, Unit is Angstrom
 C     -1.2586136274     -2.8828513114      2.1980128263
 C     -1.5345071307     -1.9140873514      2.8728429965
 C     -1.6835915282     -0.5610762298      3.0877174550
 C     -1.5888291896      0.6726568696      3.0208768070
 C     -1.1709407624      1.8746301951      2.5449309193
 C     -0.6916150614      2.7764491863      1.8902085050
 C     -0.0628859346      3.4350666824      0.8347507477
 C      0.4046107689      3.3802673047     -0.3135965867
 C      0.9705673068      3.0608917241     -1.4833081592
 C      1.1862464212      2.4549030454     -2.5284650754
 C      1.4166770926      1.4390231592     -3.3784401970
 C      1.3366732356      0.2813364830     -3.8450723489
 C      1.1388631445     -1.0414267214     -3.7113034010
 C      0.9180816821     -2.1226304255     -3.1600976994
 C      0.6685689999     -3.1029961586     -2.2348982589
 C      0.3889236895     -3.5767583568     -1.1192923293
 C     -0.1647005758     -3.7852069254      0.0702110397
 C     -0.7224598649     -3.5035241043      1.1101526636
18
# ORCA AIMD Position Step 1937, t=1937.00 fs, E_Pot=-685.23611743 Hartree, Unit is Angstrom
 C     -1.2593070403     -2.8818478477      2.1917176953
 C     -1.5379874488     -1.9167822274      2.8703778930
 C     -1.6876385129     -0.5588236143      3.0858019898
 C     -1.5855268999      0.6685605681      3.0196748641
 C     -1.1701547126      1.8762054151      2.5463107859
 C     -0.6837251073      2.7809111031      1.8976227377
 C     -0.0597889130      3.4335691898      0.8369573838
 C      0.4026691915      3.3825787606     -0.3143927857
 C      0.9781612515      3.0605103331     -1.4759885350
 C      1.1866089167      2.4642999512     -2.5236955309
 C      1.4173885132      1.4363167367     -3.3730788117
 C      1.3394788384      0.2821490851     -3.8380493285
 C      1.1436665891     -1.0399792820     -3.7186513924
 C      0.9133108380     -2.1197433155     -3.1609083134
 C      0.6609464149     -3.1003198746     -2.2420637839
 C      0.3825263939     -3.5809747532     -1.1242726015
 C     -0.1673271972     -3.7910351475      0.0683434766
 C     -0.7219504903     -3.5106624068      1.1036715874
18
# ORCA AIMD Position Step 1938, t=1938.00 fs, E_Pot=-685.23685315 Hartree, Unit is Angstrom
 C     -1.2595487353     -2.8812505341      2.1846683436
 C     -1.5418394728     -1.9179482724      2.8679447884
 C     -1.6914523447     -0.5562723583      3.0840420122
 C     -1.5820482280      0.6632782773      3.0183005746
 C     -1.1695730354      1.8776343421      2.5479517408
 C     -0.6753261668      2.7859673955      1.9040322628
 C     -0.0567461598      3.4310286090      0.8384950511
 C      0.4002940435      3.3853391028     -0.3130406142
 C      0.9855166433      3.0600823558     -1.4694542742
 C      1.1873573877      2.4734591736     -2.5188191175
 C      1.4177433888      1.4321161686     -3.3684439718
 C      1.3423814060      0.2850137972     -3.8300270718
 C      1.1482911323     -1.0400664719     -3.7253620793
 C      0.9088023710     -2.1163220183     -3.1619469436
 C      0.6530340045     -3.0977449000     -2.2477453014
 C      0.3766561335     -3.5844086101     -1.1321617516
 C     -0.1699206354     -3.7969368922      0.0665259760
 C     -0.7219878060     -3.5177485300      1.0985778426
18
# ORCA AIMD Position Step 1939, t=1939.00 fs, E_Pot=-685.23813714 Hartree, Unit is Angstrom
 C     -1.2593871433     -2.8809172422      2.1769842960
 C     -1.5460072566     -1.9177001143      2.8654237859
 C     -1.6950404646     -0.5539753421      3.0824461216
 C     -1.5783526280      0.6574121951      3.0166938557
 C     -1.1690836242      1.8790279111      2.5497477526
 C     -0.6666188623      2.7913285261      1.9096343197
 C     -0.0537590419      3.4275180797      0.8393843440
 C      0.3975496214      3.3885461373     -0.3095543794
 C      0.9925476487      3.0597467672     -1.4635473538
 C      1.1886146449      2.4819771693     -2.5142426170
 C      1.4177238619      1.4270883698     -3.3642037837
 C      1.3453603957      0.2895254249     -3.8211932637
 C      1.1526718112     -1.0417952748     -3.7313350304
 C      0.9046219126     -2.1122149834     -3.1633597672
 C      0.6448178456     -3.0953652145     -2.2518387130
 C      0.3712689804     -3.5870584811     -1.1428389650
 C     -0.1722804220     -3.8029521547      0.0643386774
 C     -0.7227284573     -3.5246619091      1.0951754798
18
# ORCA AIMD Position Step 1940, t=1940.00 fs, E_Pot=-685.23926269 Hartree, Unit is Angstrom
 C     -1.2589389746     -2.8805654948      2.1689309091
 C     -1.5503939743     -1.9163085926      2.8626188614
 C     -1.6984236353     -0.5524872854      3.0810273419
 C     -1.5743909735      0.6516288771      3.0147949637
 C     -1.1685426144      1.8805414891      2.5515546228
 C     -0.6578551455      2.7966327954      1.9146948225
 C     -0.0508831383      3.4231317493      0.8397841246
 C      0.3946081546      3.3921691922     -0.3042069047
 C      0.9991394167      3.0596406588     -1.4580617125
 C      1.1904821349      2.4895040912     -2.5103138184
 C      1.4173279983      1.4220583644     -3.3599750296
 C      1.3483724377      0.2949812151     -3.8118144595
 C      1.1567832827     -1.0450376181     -3.7365382678
 C      0.9008010448     -2.1074248956     -3.1652012069
 C      0.6363573865     -3.0931406820     -2.2545121062
 C      0.3662246256     -3.5890413737     -1.1558491269
 C     -0.1742620376     -3.8090684104      0.0614576818
 C     -0.7242009755     -3.5313555113      1.0935255163
18
# ORCA AIMD Position Step 1941, t=1941.00 fs, E_Pot=-685.23962370 Hartree, Unit is Angstrom
 C     -1.2583634203     -2.8798379304      2.1608590047
 C     -1.5548822937     -1.9141416383      2.8592957712
 C     -1.7016291093     -0.5522668374      3.0797972092
 C     -1.5701151208      0.6465508186      3.0125524009
 C     -1.1677999222      1.8823312471      2.5532252668
 C     -0.6492951223      2.8015108645      1.9195007858
 C     -0.0482268459      3.4179738625      0.8399954300
 C      0.3917334621      3.3961552203     -0.2975020356
 C      1.0051683489      3.0598777449     -1.4527905169
 C      1.1930271265      2.4957888039     -2.5072651903
 C      1.4165712863      1.4179125155     -3.3553639559
 C      1.3513606986      0.3004788978     -3.8022068006
 C      1.1606458962     -1.0494390995     -3.7410153188
 C      0.8973266199     -2.1021267319     -3.1674206108
 C      0.6277793991     -3.0908895091     -2.2562011859
 C      0.3613001877     -3.5905878681     -1.1704561011
 C     -0.1758089484     -3.8152212398      0.0577156276
 C     -0.7262998304     -3.5378634982      1.0934269644
18
# ORCA AIMD Position Step 1942, t=1942.00 fs, E_Pot=-685.23911085 Hartree, Unit is Angstrom
 C     -1.2578314028     -2.8783792167      2.1531330056
 C     -1.5593560970     -1.9115963748      2.8552257074
 C     -1.7046813456     -0.5535789360      3.0787610059
 C     -1.5654892358      0.6426471124      3.0099303963
 C     -1.1667243434      1.8845137687      2.5546415793
 C     -0.6411692483      2.8056431803      1.9243147357
 C     -0.0459375611      3.4121469121      0.8404320248
 C      0.3892470089      3.4004402931     -0.2901024616
 C      1.0105242832      3.0605280864     -1.4475810673
 C      1.1962745894      2.5007069659     -2.5051746719
 C      1.4154829697      1.4154667470     -3.3500210195
 C      1.3542678362      0.3050782849     -3.7926877535
 C      1.1643248150     -1.0544704796     -3.7448798377
 C      0.8941379321     -2.0966506561     -3.1698706655
 C      0.6192595457     -3.0883099129     -2.2575573849
 C      0.3562184781     -3.5920212425     -1.1857311218
 C     -0.1769613415     -3.8213055265      0.0531197850
 C     -0.7288057048     -3.5442888565      1.0944546647
18
# ORCA AIMD Position Step 1943, t=1943.00 fs, E_Pot=-685.23821080 Hartree, Unit is Angstrom
 C     -1.2574914604     -2.8759098338      2.1460578987
 C     -1.5637196516     -1.9090325972      2.8502260161
 C     -1.7075908714     -0.5564338740      3.0779133717
 C     -1.5604993338      0.6401607793      3.0069133263
 C     -1.1652254409      1.8871318069      2.5557388303
 C     -0.6336499251      2.8088018630      1.9293381607
 C     -0.0441791218      3.4057424966      0.8415572054
 C      0.3874866390      3.4049591628     -0.2827299047
 C      1.0151219697      3.0616078345     -1.4423713217
 C      1.2002075426      2.5042730797     -2.5039482622
 C      1.4140970697      1.4153107687     -3.3437059030
 C      1.3570507295      0.3079865159     -3.7835187397
 C      1.1679175880     -1.0595016752     -3.7482950367
 C      0.8911375567     -2.0914341307     -3.1723366174
 C      0.6109945022     -3.0850292924     -2.2593438306
 C      0.3506842356     -3.5937161927     -1.2006740711
 C     -0.1778386893     -3.8271915669      0.0478241869
 C     -0.7314320893     -3.5507736245      1.0960472143
18
# ORCA AIMD Position Step 1944, t=1944.00 fs, E_Pot=-685.23769090 Hartree, Unit is Angstrom
 C     -1.2574451402     -2.8722774390      2.1398305463
 C     -1.5679074150     -1.9067289633      2.8441860572
 C     -1.7103460180     -0.5605668380      3.0772380552
 C     -1.5551626572      0.6390760252      3.0035084651
 C     -1.1632654576      1.8901387291      2.5565180956
 C     -0.6268454109      2.8108658408      1.9346949921
 C     -0.0430924382      3.3988439685      0.8437910982
 C      0.3867546266      3.4096534482     -0.2760468966
 C      1.0189122908      3.0630792926     -1.4372074613
 C      1.2047660849      2.5066351642     -2.5033308679
 C      1.4124505651      1.4176627674     -3.3363478608
 C      1.3596872945      0.3087388877     -3.7748516018
 C      1.1715365091     -1.0639014881     -3.7514417919
 C      0.8882121509     -2.0869378415     -3.1745877689
 C      0.6031659673     -3.0806920009     -2.2622808939
 C      0.3444300712     -3.5960338089     -1.2143645015
 C     -0.1786105380     -3.8327450919      0.0420804683
 C     -0.7338777513     -3.5574616183      1.0976095026
18
# ORCA AIMD Position Step 1945, t=1945.00 fs, E_Pot=-685.23804271 Hartree, Unit is Angstrom
 C     -1.2577225495     -2.8675021515      2.1344979589
 C     -1.5718918613     -1.9048463300      2.8370904282
 C     -1.7129087352     -0.5654729831      3.0767084682
 C     -1.5495315213      0.6391452642      2.9997462121
 C     -1.1608705535      1.8933842559      2.5570543257
 C     -0.6207976855      2.8118282426      1.9404226600
 C     -0.0427545733      3.3915344732      0.8474022788
 C      0.3872705783      3.4144719791     -0.2705416922
 C      1.0218799807      3.0648630938     -1.4322295875
 C      1.2098545459      2.5080508594     -2.5029437432
 C      1.4105805923      1.4222921458     -3.3280786946
 C      1.3621789196      0.3073011450     -3.7667006278
 C      1.1752831367     -1.0671294249     -3.7544791310
 C      0.8852610397     -2.0835530892     -3.1764376246
 C      0.5959010233     -3.0750601901     -2.2668699051
 C      0.3372642577     -3.5992450816     -1.2261158776
 C     -0.1794635526     -3.8378418817      0.0361814661
 C     -0.7358776858     -3.5644581705      1.0986111589
18
# ORCA AIMD Position Step 1946, t=1946.00 fs, E_Pot=-685.23907769 Hartree, Unit is Angstrom
 C     -1.2582717746     -2.8617956218      2.1299384797
 C     -1.5756850539     -1.9034100300      2.8290277560
 C     -1.7152192162     -0.5704914798      3.0762904652
 C     -1.5436894074      0.6399588732      2.9956769046
 C     -1.1581315619      1.8966183376      2.5574933798
 C     -0.6154883221      2.8117905097      1.9464773891
 C     -0.0431436532      3.3839085004      0.8524177123
 C      0.3891334677      3.4193660680     -0.2664385998
 C      1.0240379519      3.0668599141     -1.4276321772
 C      1.2153517879      2.5088518946     -2.5023420689
 C      1.4085272532      1.4285491658     -3.3192201115
 C      1.3645456483      0.3040613275     -3.7589519858
 C      1.1792229763     -1.0688226274     -3.7575043111
 C      0.8822257463     -2.0815098849     -3.1778006936
 C      0.5892364644     -3.0681075174     -2.2732466718
 C      0.3291099332     -3.6034578315     -1.2356053052
 C     -0.1805701083     -3.8423806020      0.0304075949
 C     -0.7372433916     -3.5717986686      1.0986668330
18
# ORCA AIMD Position Step 1947, t=1947.00 fs, E_Pot=-685.24002874 Hartree, Unit is Angstrom
 C     -1.2589617673     -2.8555478403      2.1258704929
 C     -1.5793379500     -1.9023050525      2.8201819601
 C     -1.7172072165     -0.5749244071      3.0759449250
 C     -1.5377374766      0.6410402547      2.9913641908
 C     -1.1551940361      1.8995126972      2.5580379459
 C     -0.6108458461      2.8109444948      1.9527498273
 C     -0.0441245780      3.3760779763      0.8585905758
 C      0.3923055692      3.4242852520     -0.2636609760
 C      1.0254206298      3.0689751938     -1.4236118618
 C      1.2211277772      2.5093963758     -2.5010855540
 C      1.4063356635      1.4355058115     -3.3102181596
 C      1.3668189615      0.2997124438     -3.7514057572
 C      1.1833689850     -1.0688518409     -3.7605274691
 C      0.8791108412     -2.0808110445     -3.1787320197
 C      0.5830987454     -3.0600636023     -2.2811243776
 C      0.3200159908     -3.6085823497     -1.2429248918
 C     -0.1820645874     -3.8462938598      0.0249787961
 C     -0.7378872758     -3.5794372583      1.0975832034
18
# ORCA AIMD Position Step 1948, t=1948.00 fs, E_Pot=-685.24013694 Hartree, Unit is Angstrom
 C     -1.2596026504     -2.8492758710      2.1218919004
 C     -1.5829345895     -1.9012958502      2.8108059344
 C     -1.7188051238     -0.5781479493      3.0756277922
 C     -1.5317766467      0.6419361765      2.9868763281
 C     -1.1522370294      1.9017005093      2.5589227215
 C     -0.6067626528      2.8095365808      1.9590967033
 C     -0.0454626964      3.3681721035      0.8654403573
 C      0.3966293324      3.4291766222     -0.2618653478
 C      1.0260765900      3.0711401436     -1.4203218601
 C      1.2270635780      2.5100176151     -2.4988048111
 C      1.4040553367      1.4421525375     -3.3015494602
 C      1.3690331418      0.2950822075     -3.7438290441
 C      1.1876793385     -1.0673266264     -3.7634694012
 C      0.8759882693     -2.0812202788     -3.1794365707
 C      0.5773105719     -3.0513889166     -2.2898537422
 C      0.3101349132     -3.6143551010     -1.2485241338
 C     -0.1840320525     -3.8495547812      0.0200240322
 C     -0.7378212620     -3.5872579829      1.0953584709
18
# ORCA AIMD Position Step 1949, t=1949.00 fs, E_Pot=-685.23924885 Hartree, Unit is Angstrom
 C     -1.2599724183     -2.8435555712      2.1175379181
 C     -1.5865826396     -1.9000622922      2.8011848310
 C     -1.7199577617     -0.5797173204      3.0752945361
 C     -1.5258878659      0.6423293773      2.9822687706
 C     -1.1494509105      1.9027975692      2.5603931466
 C     -0.6031090454      2.8078336493      1.9653639432
 C     -0.0468671705      3.3603260690      0.8723506752
 C      0.4018818346      3.4339785803     -0.2605555899
 C      1.0260398474      3.0733412995     -1.4178032136
 C      1.2330742808      2.5109593261     -2.4952687990
 C      1.4017332055      1.4475971754     -3.2936296798
 C      1.3712175733      0.2909328973     -3.7360052962
 C      1.1920703303     -1.0645175841     -3.7661848199
 C      0.8729880064     -2.0823081848     -3.1802369756
 C      0.5716256527     -3.0426911341     -2.2985785044
 C      0.2996667997     -3.6204100189     -1.2530444751
 C     -0.1864858569     -3.8521792471      0.0155286971
 C     -0.7371536028     -3.5950902039      1.0921751593
18
# ORCA AIMD Position Step 1950, t=1950.00 fs, E_Pot=-685.23788753 Hartree, Unit is Angstrom
 C     -1.2598658481     -2.8388971165      2.1123815277
 C     -1.5903799718     -1.8982872960      2.7915625424
 C     -1.7206262803     -0.5793800294      3.0749011303
 C     -1.5201463585      0.6419631121      2.9776049018
 C     -1.1469812965      1.9025408872      2.5626367618
 C     -0.5997786269      2.8060520619      1.9714445286
 C     -0.0480197093      3.3526826824      0.8786558381
 C      0.4077887990      3.4386382268     -0.2591358673
 C      1.0253582497      3.0755910605     -1.4160527630
 C      1.2391039767      2.5123718588     -2.4903725933
 C      1.3994159548      1.4511642366     -3.2867620438
 C      1.3734007668      0.2879360147     -3.7277713751
 C      1.1964255098     -1.0608567184     -3.7684860694
 C      0.8702720127     -2.0835372096     -3.1815240038
 C      0.5657697040     -3.0346248798     -2.3063925620
 C      0.2888423030     -3.6263475524     -1.2572247922
 C     -0.1894149632     -3.8542069870      0.0114323265
 C     -0.7360401115     -3.6027477355      1.0883089259
18
# ORCA AIMD Position Step 1951, t=1951.00 fs, E_Pot=-685.23701309 Hartree, Unit is Angstrom
 C     -1.2591292319     -2.8356745830      2.1061017901
 C     -1.5943939829     -1.8957279806      2.7821113557
 C     -1.7207970274     -0.5771222248      3.0744035204
 C     -1.5145974148      0.6407666050      2.9729374272
 C     -1.1449211561      1.9007620769      2.5657785232
 C     -0.5966982637      2.8043379417      1.9772751632
 C     -0.0486330488      3.3453718303      0.8837632244
 C      0.4141011916      3.4430995784     -0.2570709781
 C      1.0240509217      3.0779582196     -1.4149490311
 C      1.2451397972      2.5142599603     -2.4841884052
 C      1.3971393219      1.4524982203     -3.2810910992
 C      1.3756022804      0.2865203295     -3.7190374844
 C      1.2006234672     -1.0567819235     -3.7701868261
 C      0.8680074007     -2.0843660354     -3.1836774076
 C      0.5594902356     -3.0277828319     -2.3125069267
 C      0.2778605602     -3.6318108291     -1.2617028485
 C     -0.1927547884     -3.8557039336      0.0075628373
 C     -0.7346722002     -3.6100414556      1.0841071644
18
# ORCA AIMD Position Step 1952, t=1952.00 fs, E_Pot=-685.23735382 Hartree, Unit is Angstrom
 C     -1.2576965183     -2.8340433296      2.0985582382
 C     -1.5986323651     -1.8922929968      2.7728907097
 C     -1.7204831187     -0.5731548393      3.0737612755
 C     -1.5092689571      0.6388175190      2.9683204804
 C     -1.1432815513      1.8974558547      2.5698420114
 C     -0.5938500782      2.8027350992      1.9828499856
 C     -0.0484827073      3.3385056586      0.8872224757
 C      0.4206100887      3.4473110278     -0.2539416759
 C      1.0221227937      3.0805429256     -1.4143008286
 C      1.2511978565      2.5164982690     -2.4769377403
 C      1.3949310694      1.4515713286     -3.2766032991
 C      1.3778341084      0.2868757740     -3.7098019367
 C      1.2045498643     -1.0526992748     -3.7711258933
 C      0.8663348849     -2.0843493741     -3.1869938732
 C      0.5525989259     -3.0226097939     -2.3163560999
 C      0.2668823840     -3.6365234433     -1.2669495989
 C     -0.1964151999     -3.8567474842      0.0037036151
 C     -0.7332393722     -3.6168026805      1.0799172264
18
# ORCA AIMD Position Step 1953, t=1953.00 fs, E_Pot=-685.23895684 Hartree, Unit is Angstrom
 C     -1.2556085198     -2.8339039056      2.0898275515
 C     -1.6030274947     -1.8880828427      2.7638363904
 C     -1.7197268812     -0.5678941759      3.0729401497
 C     -1.5041765758      0.6363249027      2.9638155158
 C     -1.1419837972      1.8928023731      2.5747362174
 C     -0.5912733713      2.8011832605      1.9882090031
 C     -0.0474357071      3.3321689194      0.8887841622
 C      0.4271621835      3.4512282360     -0.2494954285
 C      1.0195730826      3.0834585654     -1.4138788169
 C      1.2573076912      2.5188597303     -2.4689565429
 C      1.3928138931      1.4486704200     -3.2731391901
 C      1.3801000135      0.2889424953     -3.7001599580
 C      1.2081088000     -1.0489360034     -3.7711864270
 C      0.8653416389     -2.0832189043     -3.1916225928
 C      0.5450047566     -3.0193386086     -2.3176735125
 C      0.2560256648     -3.6403108790     -1.2732241706
 C     -0.2002992400     -3.8574178873     -0.0003598689
 C     -0.7319005338     -3.6228996051      1.0760303071
18
# ORCA AIMD Position Step 1954, t=1954.00 fs, E_Pot=-685.24112173 Hartree, Unit is Angstrom
 C     -1.2530112430     -2.8349162833      2.0801928815
 C     -1.6074422280     -1.8833793354      2.7547763567
 C     -1.7185987365     -0.5619210394      3.0719141626
 C     -1.4993258575      0.6335991462      2.9594907604
 C     -1.1408681363      1.8871534202      2.5802651140
 C     -0.5890483046      2.7995391881      1.9934179826
 C     -0.0454703650      3.3264058130      0.8884415808
 C      0.4336731205      3.4548204879     -0.2436786723
 C      1.0164051786      3.0868120554     -1.4134507318
 C      1.2634983795      2.5210667926     -2.4606345135
 C      1.3908087631      1.4443570566     -3.2704190300
 C      1.3823957060      0.2924055297     -3.6902993535
 C      1.2112363854     -1.0456988009     -3.7703095963
 C      0.8650404626     -2.0809319911     -3.1975287085
 C      0.5367302631     -3.0179503073     -2.3165345106
 C      0.2453568950     -3.6431150204     -1.2805566451
 C     -0.2043222378     -3.8577931654     -0.0047980247
 C     -0.7307606313     -3.6282547719      1.0726318467
18
# ORCA AIMD Position Step 1955, t=1955.00 fs, E_Pot=-685.24276527 Hartree, Unit is Angstrom
 C     -1.2501242158     -2.8365767158      2.0700733831
 C     -1.6116966938     -1.8785770881      2.7454697990
 C     -1.7171917523     -0.5559174436      3.0706660266
 C     -1.4947122619      0.6309998298      2.9554168874
 C     -1.1397215611      1.8809829183      2.5861654953
 C     -0.5872614144      2.7976206778      1.9985325264
 C     -0.0426860997      3.3212069435      0.8864540069
 C      0.4401376820      3.4580782139     -0.2366416716
 C      1.0126346129      3.0906864203     -1.4128210571
 C      1.2697913931      2.5228415693     -2.4523505537
 C      1.3889358651      1.4394161844     -3.2680695053
 C      1.3847132867      0.2967164222     -3.6804829117
 C      1.2139134066     -1.0430422279     -3.7685033302
 C      0.8653573480     -2.0776930122     -3.2044891632
 C      0.5279089073     -3.0181657715     -2.3133572277
 C      0.2348778928     -3.6450075712     -1.2887501043
 C     -0.2084303230     -3.8579398260     -0.0097084984
 C     -0.7298596242     -3.6328529902      1.0697741845
18
# ORCA AIMD Position Step 1956, t=1956.00 fs, E_Pot=-685.24301657 Hartree, Unit is Angstrom
 C     -1.2472024192     -2.8383123493      2.0599449273
 C     -1.6156004611     -1.8741014649      2.7356542455
 C     -1.7156081954     -0.5505800953      3.0691835368
 C     -1.4903282961      0.6288663746      2.9516656757
 C     -1.1383088571      1.8748220022      2.5921494981
 C     -0.5859777184      2.7952551254      2.0035718871
 C     -0.0392953413      3.3165046250      0.8833298119
 C      0.4466356590      3.4610173433     -0.2287258845
 C      1.0082943566      3.0951272007     -1.4118631457
 C      1.2761887066      2.5239570502     -2.4444001061
 C      1.3872149534      1.4347515483     -3.2656722578
 C      1.3870470091      0.3011689646     -3.6710151280
 C      1.2161681136     -1.0408689545     -3.7658391907
 C      0.8661412013     -2.0739166087     -3.2121306199
 C      0.5187666620     -3.0194882781     -2.3088568891
 C      0.2245195244     -3.6461847706     -1.2974064480
 C     -0.2126105632     -3.8579121477     -0.0151062015
 C     -0.7291722162     -3.6367382249      1.0673758807
18
# ORCA AIMD Position Step 1957, t=1957.00 fs, E_Pot=-685.24174297 Hartree, Unit is Angstrom
 C     -1.2444919835     -2.8395847885      2.0502537575
 C     -1.6189847151     -1.8703248422      2.7250992589
 C     -1.7139446067     -0.5465267077      3.0674518282
 C     -1.4861708032      0.6274520543      2.9483093655
 C     -1.1364119881      1.8691791272      2.5979533858
 C     -0.5852161797      2.7923227882      2.0084973060
 C     -0.0355984337      3.3121818639      0.8797710229
 C      0.4533195173      3.4636783194     -0.2204192740
 C      1.0034417119      3.1001322137     -1.4105425565
 C      1.2826689638      2.5242772312     -2.4369530472
 C      1.3856658779      1.4312561118     -3.2628220219
 C      1.3893936555      0.3050104896     -3.6621985830
 C      1.2180728841     -1.0389502458     -3.7624396404
 C      0.8671833260     -2.0701621764     -3.2199885488
 C      0.5095915354     -3.0212730584     -2.3039522627
 C      0.2141500481     -3.6469479223     -1.3059779624
 C     -0.2168896257     -3.8577524908     -0.0209302335
 C     -0.7286252684     -3.6399979783      1.0652522369
18
# ORCA AIMD Position Step 1958, t=1958.00 fs, E_Pot=-685.23968050 Hartree, Unit is Angstrom
 C     -1.2421935501     -2.8399709013      2.0413512645
 C     -1.6217246701     -1.8675009777      2.7136442613
 C     -1.7122743790     -0.5442177744      3.0654461647
 C     -1.4822540071      0.6268563309      2.9454236141
 C     -1.1338593165      1.8644819269      2.6033729036
 C     -0.5849368549      2.7887888147      2.0132001033
 C     -0.0319454568      3.3080890105      0.8765889217
 C      0.4603863995      3.4661237853     -0.2122826241
 C      0.9981631285      3.1056470736     -1.4089266497
 C      1.2891831523      2.5237710236     -2.4300395982
 C      1.3843085324      1.4296608575     -3.2591869231
 C      1.3917555834      0.3075991564     -3.6542823297
 C      1.2197289958     -1.0369813078     -3.7584566210
 C      0.8682484619     -2.0670469572     -3.2275766660
 C      0.5006951098     -3.0228245221     -2.2996394765
 C      0.2035970040     -3.6476589261     -1.3138487390
 C     -0.2213231989     -3.8574938605     -0.0270692196
 C     -0.7281231272     -3.6427385218      1.0631671012
18
# ORCA AIMD Position Step 1959, t=1959.00 fs, E_Pot=-685.23802874 Hartree, Unit is Angstrom
 C     -1.2404378303     -2.8392178992      2.0334481258
 C     -1.6237499620     -1.8657509375      2.7012202329
 C     -1.7106410091     -0.5439007354      3.0631288712
 C     -1.4786145521      0.6270073214      2.9430902067
 C     -1.1305469904      1.8610302523      2.6082841862
 C     -0.5850427951      2.7847146581      2.0175154584
 C     -0.0286788377      3.3040700433      0.8745699686
 C      0.4680328609      3.4684287521     -0.2048475591
 C      0.9925741809      3.1115731518     -1.4071697752
 C      1.2956555188      2.5225190722     -2.4235550760
 C      1.3831651238      1.4303910840     -3.2545679201
 C      1.3941415153      0.3085565068     -3.6474195659
 C      1.2212398575     -1.0346693410     -3.7540403005
 C      0.8691092821     -2.0651480470     -3.2344573078
 C      0.4923665194     -3.0235069013     -2.2968357248
 C      0.1926928882     -3.6486670233     -1.3204642698
 C     -0.2259857650     -3.8571612377     -0.0333705788
 C     -0.7275738790     -3.6450583182      1.0608844764
18
# ORCA AIMD Position Step 1960, t=1960.00 fs, E_Pot=-685.23773619 Hartree, Unit is Angstrom
 C     -1.2392656577     -2.8372820941      2.0265939410
 C     -1.6250520473     -1.8650303204      2.6878732352
 C     -1.7090509054     -0.5455944159      3.0604525093
 C     -1.4753176164      0.6276589238      2.9413940426
 C     -1.1264543922      1.8589663525      2.6126571906
 C     -0.5853812407      2.7802647432      2.0212224832
 C     -0.0260757624      3.2999972952      0.8743528721
 C      0.4763960871      3.4706598876     -0.1985119045
 C      0.9868145289      3.1177721323     -1.4054902047
 C      1.3019858198      2.5206936315     -2.4172978872
 C      1.3822623985      1.4334766900     -3.2489367642
 C      1.3965657418      0.3078735172     -3.6416384649
 C      1.2226838649     -1.0318171123     -3.7493115347
 C      0.8695804052     -2.0649168714     -3.2402864991
 C      0.4848292606     -3.0228464074     -2.2962324476
 C      0.1813254048     -3.6502244512     -1.3254565149
 C     -0.2309547443     -3.8567799924     -0.0396707511
 C     -0.7269134742     -3.6470227194      1.0582253602
18
# ORCA AIMD Position Step 1961, t=1961.00 fs, E_Pot=-685.23885530 Hartree, Unit is Angstrom
 C     -1.2386253869     -2.8343371450      2.0206786927
 C     -1.6256857134     -1.8651355707      2.6737785155
 C     -1.7074786373     -0.5490999152      3.0573634314
 C     -1.4724505434      0.6284288290      2.9404190478
 C     -1.1216528029      1.8582602321      2.6165526426
 C     -0.5857575408      2.7756971726      2.0240691471
 C     -0.0242914110      3.2957995308      0.8762980743
 C      0.4854952627      3.4728608403     -0.1934354457
 C      0.9810450835      3.1240823584     -1.4041341277
 C      1.3080581731      2.5185333126     -2.4110240471
 C      1.3816316254      1.4385411814     -3.2424410916
 C      1.3990427200      0.3059354510     -3.6368419494
 C      1.2240887104     -1.0284012782     -3.7443414424
 C      0.8695480505     -2.0665986385     -3.2448552763
 C      0.4782017082     -3.0206270917     -2.2981560569
 C      0.1694940266     -3.6524069538     -1.3287715519
 C     -0.2362941840     -3.8563789036     -0.0458035376
 C     -0.7261220536     -3.6486540208      1.0551042979
18
# ORCA AIMD Position Step 1962, t=1962.00 fs, E_Pot=-685.24054836 Hartree, Unit is Angstrom
 C     -1.2383761838     -2.8307634686      2.0154417530
 C     -1.6257669029     -1.8657194128      2.6592307303
 C     -1.7058772526     -0.5540487589      3.0538107297
 C     -1.4701043214      0.6288773463      2.9402333797
 C     -1.1163010280      1.8587060983      2.6201162541
 C     -0.5859564682      2.7713344504      2.0258039146
 C     -0.0233201559      3.2914802483      0.8804124042
 C      0.4952049937      3.4750399109     -0.1894907783
 C      0.9754294664      3.1303473992     -1.4033219526
 C      1.3137576540      2.5163033435     -2.4045025348
 C      1.3813066323      1.4448923203     -3.2353679705
 C      1.4015842797      0.3034299954     -3.6328351688
 C      1.2254208564     -1.0245998169     -3.7391392688
 C      0.8689874750     -2.0701850077     -3.2481116246
 C      0.4724717473     -3.0169332982     -2.3025084805
 C      0.1573297518     -3.6550790799     -1.3307174431
 C     -0.2420428665     -3.8559921150     -0.0516242156
 C     -0.7252327156     -3.6499280650      1.0515515724
18
# ORCA AIMD Position Step 1963, t=1963.00 fs, E_Pot=-685.24173970 Hartree, Unit is Angstrom
 C     -1.2383070870     -2.8270972390      2.0105054818
 C     -1.6254611726     -1.8663310025      2.6446020488
 C     -1.7041904688     -0.5599795303      3.0497538757
 C     -1.4683500341      0.6286006370      2.9408750495
 C     -1.1106203835      1.8599510054      2.6235588937
 C     -0.5857724552      2.7675090433      2.0262187449
 C     -0.0229934943      3.2871187536      0.8863556739
 C      0.5052741060      3.4771675291     -0.1862868799
 C      0.9701070804      3.1364489929     -1.4031991704
 C      1.3189920984      2.5142487224     -2.3975602615
 C      1.3813215696      1.4516893012     -3.2280696360
 C      1.4041993501      0.3011779708     -3.6293729906
 C      1.2265921417     -1.0207580244     -3.7336537224
 C      0.8679642454     -2.0754200348     -3.2501604743
 C      0.4674970284     -3.0121196660     -2.3088132156
 C      0.1450676838     -3.6579265878     -1.3319081411
 C     -0.2482121534     -3.8556584201     -0.0570379372
 C     -0.7243263617     -3.6507850550      1.0477055545
18
# ORCA AIMD Position Step 1964, t=1964.00 fs, E_Pot=-685.24186728 Hartree, Unit is Angstrom
 C     -1.2381754678     -2.8239435211      2.0054393641
 C     -1.6249588734     -1.8664870511      2.6302809350
 C     -1.7023663878     -0.5664168986      3.0451675086
 C     -1.4672236504      0.6273065893      2.9423471192
 C     -1.1048537259      1.8615558631      2.6271209571
 C     -0.5850436953      2.7645012908      2.0251913128
 C     -0.0230089221      3.2828597187      0.8935235607
 C      0.5153745327      3.4791818509     -0.1832694847
 C      0.9651690503      3.1423309595     -1.4037949258
 C      1.3237077433      2.5125524760     -2.3901129007
 C      1.3817063026      1.4581233413     -3.2208903683
 C      1.4068945191      0.2999429343     -3.6262112586
 C      1.2274835414     -1.0173040938     -3.7277908745
 C      0.8666156530     -2.0818552014     -3.2512327844
 C      0.4630381035     -3.0067210195     -2.3163488995
 C      0.1329900909     -3.6605385563     -1.3331196189
 C     -0.2547851576     -3.8554184213     -0.0620226758
 C     -0.7235160967     -3.6511480778      1.0437818007
18
# ORCA AIMD Position Step 1965, t=1965.00 fs, E_Pot=-685.24116778 Hartree, Unit is Angstrom
 C     -1.2377545747     -2.8218634125      1.9998431298
 C     -1.6244406248     -1.8657663029      2.6166081728
 C     -1.7003674264     -0.5729333440      3.0400444908
 C     -1.4667169848      0.6248602179      2.9446200749
 C     -1.0992228077      1.8630770671      2.6310230954
 C     -0.5836889741      2.7624755138      2.0227258587
 C     -0.0229904652      3.2788901307      0.9011716698
 C      0.5251681801      3.4810043818     -0.1798523462
 C      0.9606511817      3.1480072390     -1.4050099268
 C      1.3278940574      2.5113116858     -2.3821824031
 C      1.3824851062      1.4635502562     -3.2141050273
 C      1.4096695409      0.3002864127     -3.6231471606
 C      1.2279726426     -1.0146453210     -3.7214391626
 C      0.8651231102     -2.0889330765     -3.2516406407
 C      0.4588076967     -3.0013453280     -2.3243080859
 C      0.1213688974     -3.6625015502     -1.3351209221
 C     -0.2617203268     -3.8553101140     -0.0666387142
 C     -0.7229251998     -3.6509446659      1.0400269385
18
# ORCA AIMD Position Step 1966, t=1966.00 fs, E_Pot=-685.24033561 Hartree, Unit is Angstrom
 C     -1.2368850489     -2.8212555608      1.9934365221
 C     -1.6240374499     -1.8639117677      2.6038155848
 C     -1.6981769251     -0.5791833449      3.0343977014
 C     -1.4667793648      0.6212922957      2.9476388633
 C     -1.0938913284      1.8641493846      2.6354181531
 C     -0.5817329232      2.7614328670      2.0189815811
 C     -0.0225475075      3.2754173133      0.9085353238
 C      0.5343588119      3.4825563099     -0.1755343815
 C      0.9565380827      3.1535513945     -1.4066303666
 C      1.3315787841      2.5105310898     -2.3738925687
 C      1.3836748741      1.4675605015     -3.2078865672
 C      1.4125152145      0.3024914919     -3.6200423431
 C      1.2279577346     -1.0130833042     -3.7144955784
 C      0.8636848068     -2.0960669735     -3.2517304802
 C      0.4545166070     -2.9965851638     -2.3319288483
 C      0.1104240757     -3.6634728566     -1.3385375377
 C     -0.2689579815     -3.8553631847     -0.0710176728
 C     -0.7226615852     -3.6501312054      1.0366624526
18
# ORCA AIMD Position Step 1967, t=1967.00 fs, E_Pot=-685.23998506 Hartree, Unit is Angstrom
 C     -1.2355143455     -2.8222702053      1.9861281613
 C     -1.6238032188     -1.8609079957      2.5919855759
 C     -1.6958010956     -0.5849114976      3.0282652876
 C     -1.4673244995      0.6167924637      2.9513288738
 C     -1.0889434559      1.8645359156      2.6403606181
 C     -0.5793203271      2.7611896907      2.0142825008
 C     -0.0213184609      3.2726520292      0.9149169306
 C      0.5427268439      3.4837696060     -0.1699864987
 C      0.9527786690      3.1590815125     -1.4083514589
 C      1.3348113101      2.5101412397     -2.3654439724
 C      1.3852875204      1.4699947726     -3.2022996293
 C      1.4154080695      0.3065293114     -3.6168359082
 C      1.2273765852     -1.0127603493     -3.7068830248
 C      0.8624892062     -2.1027034282     -3.2518411615
 C      0.4499127067     -2.9929530476     -2.3385822549
 C      0.1002991141     -3.6632204625     -1.3437646873
 C     -0.2764250464     -3.8555984175     -0.0753426962
 C     -0.7227939565     -3.6487101281      1.0338300494
18
# ORCA AIMD Position Step 1968, t=1968.00 fs, E_Pot=-685.24028454 Hartree, Unit is Angstrom
 C     -1.2337158502     -2.8247695427      1.9780460142
 C     -1.6237038646     -1.8570083897      2.5810456876
 C     -1.6932673187     -0.5899373625      3.0217106139
 C     -1.4682420988      0.6116667687      2.9556057036
 C     -1.0843827175      1.8641505832      2.6457951089
 C     -0.5766962027      2.7614023154      2.0090894352
 C     -0.0190125246      3.2707850668      0.9197601145
 C      0.5501446383      3.4845979623     -0.1630885416
 C      0.9493051366      3.1647301628     -1.4098270869
 C      1.3376493965      2.5100265699     -2.3570785927
 C      1.3873278528      1.4709220262     -3.1973103485
 C      1.4183121042      0.3120893556     -3.6135405019
 C      1.2262149346     -1.0136403424     -3.6985676693
 C      0.8616917420     -2.1083852080     -3.2522593208
 C      0.4448124368     -2.9908276057     -2.3438387189
 C      0.0910526992     -3.6616454351     -1.3509288004
 C     -0.2840461341     -3.8560231424     -0.0798084109
 C     -0.7233307469     -3.6467492850      1.0315431211
18
# ORCA AIMD Position Step 1969, t=1969.00 fs, E_Pot=-685.24092997 Hartree, Unit is Angstrom
 C     -1.2316816430     -2.8283466117      1.9695242331
 C     -1.6236271990     -1.8527040100      2.5707900643
 C     -1.6906221004     -0.5941575171      3.0148197295
 C     -1.4694058998      0.6063144177      2.9603814201
 C     -1.0801436041      1.8630458697      2.6515667440
 C     -0.5741698912      2.7616161640      2.0039447726
 C     -0.0154533424      3.2699609750      0.9227296120
 C      0.5565932263      3.4850282913     -0.1549585942
 C      0.9460572490      3.1706096934     -1.4107288624
 C      1.3401409126      2.5100647140     -2.3490262507
 C      1.3897930931      1.4706096402     -3.1928019232
 C      1.4211817533      0.3186286033     -3.6102332219
 C      1.2245099745     -1.0155155923     -3.6895687607
 C      0.8613951912     -2.1128005539     -3.2531848456
 C      0.4391251303     -2.9904109332     -2.3475178251
 C      0.0826524175     -3.6587958581     -1.3598701777
 C     -0.2917533278     -3.8566281510     -0.0845897355
 C     -0.7242093426     -3.6443902502      1.0296585445
18
# ORCA AIMD Position Step 1970, t=1970.00 fs, E_Pot=-685.24138340 Hartree, Unit is Angstrom
 C     -1.2296856465     -2.8324121350      1.9610405024
 C     -1.6234156860     -1.8486241930      2.5609331894
 C     -1.6879240983     -0.5975314546      3.0076904998
 C     -1.4706878649      0.6011690293      2.9655743244
 C     -1.0761164390      1.8613742910      2.6574566755
 C     -0.5720537315      2.7613512691      1.9993809533
 C     -0.0106124423      3.2702495900      0.9237737857
 C      0.5621654973      3.4850882358     -0.1459378698
 C      0.9430018782      3.1767857530     -1.4108023726
 C      1.3423116612      2.5101636287     -2.3414585233
 C      1.3926732057      1.4694700274     -3.1885970995
 C      1.4239691951      0.3254528233     -3.6070397955
 C      1.2223465345     -1.0180338657     -3.6799586820
 C      0.8616294552     -2.1158313929     -3.2546955517
 C      0.4328719520     -2.9916912266     -2.3497283618
 C      0.0749754140     -3.6548645810     -1.3701650182
 C     -0.2994970687     -3.8573900795     -0.0898139332
 C     -0.7252987918     -3.6418427577      1.0278784791
18
# ORCA AIMD Position Step 1971, t=1971.00 fs, E_Pot=-685.24118885 Hartree, Unit is Angstrom
 C     -1.2280270775     -2.8363249337      1.9531202839
 C     -1.6229116995     -1.8454001718      2.5511801782
 C     -1.6852315814     -0.6000625943      3.0004205692
 C     -1.4719731423      0.5966376748      2.9711146560
 C     -1.0721736665      1.8593384650      2.6632278653
 C     -0.5706108026      2.7601807354      1.9958339607
 C     -0.0046199493      3.2716310254      0.9231545209
 C      0.5670561787      3.4848481077     -0.1365549892
 C      0.9401489872      3.1832643577     -1.4099051728
 C      1.3441560271      2.5102847830     -2.3344575990
 C      1.3959552716      1.4679894696     -3.1844874283
 C      1.4266280527      0.3318167327     -3.6041092194
 C      1.2198510892     -1.0207414284     -3.6698557433
 C      0.8623447970     -2.1175622152     -3.2567417710
 C      0.4261890335     -2.9944403202     -2.3508665053
 C      0.0678143925     -3.6501742206     -1.3811756131
 C     -0.3072493652     -3.8582788400     -0.0955492531
 C     -0.7264210302     -3.6393615506      1.0257899979
18
# ORCA AIMD Position Step 1972, t=1972.00 fs, E_Pot=-685.24023699 Hartree, Unit is Angstrom
 C     -1.2269750637     -2.8395152609      1.9462373762
 C     -1.6219889456     -1.8435467897      2.5412883580
 C     -1.6825979000     -0.6017906565      2.9930922920
 C     -1.4731670295      0.5930571542      2.9769509416
 C     -1.0682010462      1.8571379441      2.6686670988
 C     -0.5700060790      2.7577986847      1.9935795072
 C      0.0022341527      3.2739892646      0.9214375358
 C      0.5715533915      3.4844177558     -0.1274844324
 C      0.9375504099      3.1899868529     -1.4080172049
 C      1.3456376881      2.5104600685     -2.3280004127
 C      1.3996228705      1.4666442849     -3.1802692475
 C      1.4291219268      0.3370276120     -3.6015847744
 C      1.2171776448     -1.0231174403     -3.6594147399
 C      0.8634204827     -2.1182692192     -3.2591608367
 C      0.4193124978     -2.9982383084     -2.3515798487
 C      0.0608947720     -3.6451583577     -1.3921105831
 C     -0.3150057706     -3.8592581639     -0.1018108714
 C     -0.7273835171     -3.6372113530      1.0229369406
18
# ORCA AIMD Position Step 1973, t=1973.00 fs, E_Pot=-685.23889663 Hartree, Unit is Angstrom
 C     -1.2267157728     -2.8416000179      1.9407219507
 C     -1.6205819295     -1.8433586863      2.5311218961
 C     -1.6800643905     -0.6027833112      2.9857611604
 C     -1.4742007837      0.5906624591      2.9830488901
 C     -1.0641189956      1.8549253779      2.6736204268
 C     -0.5702848158      2.7540586328      1.9927001035
 C      0.0095319451      3.2771270411      0.9194303398
 C      0.5760028853      3.4839366894     -0.1194685958
 C      0.9352970185      3.1968409909     -1.4052335665
 C      1.3466966603      2.5107787949     -2.3219793957
 C      1.4036596640      1.4658180941     -3.1757754674
 C      1.4314247521      0.3405460524     -3.5995727393
 C      1.2144932598     -1.0246268634     -3.6488107727
 C      0.8646850546     -2.1183664668     -3.2617152317
 C      0.4125472598     -3.0025390376     -2.3526801884
 C      0.0539032209     -3.6403146561     -1.4021151724
 C     -0.3227759941     -3.8602947513     -0.1085832337
 C     -0.7280205339     -3.6356208563      1.0189108642
18
# ORCA AIMD Position Step 1974, t=1974.00 fs, E_Pot=-685.23791944 Hartree, Unit is Angstrom
 C     -1.2273121964     -2.8424652022      1.9366936528
 C     -1.6187024724     -1.8448477923      2.5206862329
 C     -1.6776578167     -0.6031258552      2.9784534074
 C     -1.4750333166      0.5895689764      2.9893868748
 C     -1.0598987398      1.8527768182      2.6780154654
 C     -0.5713718032      2.7489845227      1.9930928496
 C      0.0167919505      3.2807977176      0.9180525666
 C      0.5807520718      3.4835573676     -0.1132103719
 C      0.9335077532      3.2036786340     -1.4017397982
 C      1.3472617575      2.5113640614     -2.3162396374
 C      1.4080510250      1.4657317832     -3.1709043469
 C      1.4335205892      0.3420681412     -3.5981140071
 C      1.2119571681     -1.0247848963     -3.6382192978
 C      0.8659501332     -2.1183190144     -3.2641479669
 C      0.4062128393     -3.0067757420     -2.3549990048
 C      0.0465355559     -3.6361323225     -1.4103979795
 C     -0.3305726275     -3.8613648408     -0.1158417633
 C     -0.7282311420     -3.6347413424      1.0134376050
18
# ORCA AIMD Position Step 1975, t=1975.00 fs, E_Pot=-685.23799197 Hartree, Unit is Angstrom
 C     -1.2286843339     -2.8423055819      1.9340294548
 C     -1.6164455701     -1.8477234222      2.5101457293
 C     -1.6753907998     -0.6029093245      2.9711710522
 C     -1.4756492341      0.5897695151      2.9959465973
 C     -1.0555726766      1.8506773708      2.6818696691
 C     -0.5730872810      2.7427622628      1.9945023041
 C      0.0235573305      3.2847495896      0.9181586676
 C      0.5860729825      3.4834207682     -0.1092357961
 C      0.9323138637      3.2103356914     -1.3977822900
 C      1.3472669555      2.5123394046     -2.3106264070
 C      1.4127805143      1.4664044340     -3.1656371904
 C      1.4354037302      0.3415745020     -3.5971677377
 C      1.2096978416     -1.0232339503     -3.6277986668
 C      0.8670493315     -2.1185403547     -3.2662398364
 C      0.4005754944     -3.0104882731     -2.3592035634
 C      0.0385624909     -3.6329954876     -1.4163874267
 C     -0.3383993073     -3.8624595854     -0.1235654621
 C     -0.7280037784     -3.6346193137      1.0064421274
18
# ORCA AIMD Position Step 1976, t=1976.00 fs, E_Pot=-685.23917530 Hartree, Unit is Angstrom
 C     -1.2306126195     -2.8416126585      1.9323730351
 C     -1.6139850160     -1.8514163736      2.4998166696
 C     -1.6732642549     -0.6022178608      2.9639037594
 C     -1.4760555544      0.5911406052      3.0027037579
 C     -1.0512352358      1.8485236115      2.6852867140
 C     -0.5751715895      2.7357177371      1.9965654338
 C      0.0294914728      3.2887690462      0.9203486842
 C      0.5920792748      3.4836306845     -0.1077473165
 C      0.9318430846      3.2166520226     -1.3936380713
 C      1.3466680921      2.5137927270     -2.3050339201
 C      1.4178249333      1.4676610475     -3.1600378792
 C      1.4370789229      0.3393360361     -3.5966098512
 C      1.2077919365     -1.0198207956     -3.6176751923
 C      0.8678724580     -2.1192964348     -3.2678561542
 C      0.3957822756     -3.0134375195     -2.3656230215
 C      0.0298959022     -3.6310910748     -1.4198823273
 C     -0.3462418170     -3.8635888064     -0.1317385506
 C     -0.7274232385     -3.6351919397      0.9980771005
18
# ORCA AIMD Position Step 1977, t=1977.00 fs, E_Pot=-685.24072799 Hartree, Unit is Angstrom
 C     -1.2327735764     -2.8410961738      1.9311949899
 C     -1.6115494507     -1.8551628009      2.4901193259
 C     -1.6712703491     -0.6011157851      2.9566388386
 C     -1.4762781164      0.5934577916      3.0096254430
 C     -1.0470287589      1.8461462819      2.6884394969
 C     -0.5773191869      2.7282732425      1.9988655874
 C      0.0344536210      3.2927148053      0.9248262916
 C      0.5986743106      3.4842355887     -0.1085217532
 C      0.9322006559      3.2224955002     -1.3895832283
 C      1.3454585176      2.5157466836     -2.2994385254
 C      1.4231511165      1.4691832846     -3.1542318390
 C      1.4385650729      0.3358708945     -3.5962504567
 C      1.2062487103     -1.0146486379     -3.6079284314
 C      0.8683897816     -2.1206399122     -3.2689753406
 C      0.3918160484     -3.0156677724     -2.3741513518
 C      0.0206241243     -3.6303598809     -1.4211382014
 C     -0.3540711688     -3.8647824536     -0.1403458842
 C     -0.7266564381     -3.6363056818      0.9887015515
18
# ORCA AIMD Position Step 1978, t=1978.00 fs, E_Pot=-685.24163413 Hartree, Unit is Angstrom
 C     -1.2348042564     -2.8415419048      1.9298967841
 C     -1.6093803761     -1.8581433783      2.4814933547
 C     -1.6693934031     -0.5996447646      2.9493642232
 C     -1.4763567829      0.5964311301      3.0166748202
 C     -1.0431140607      1.8433470221      2.6915401287
 C     -0.5792181534      2.7208852858      2.0009863547
 C      0.0385159726      3.2965275852      0.9313824495
 C      0.6055603209      3.4852302557     -0.1109197408
 C      0.9334572283      3.2277851043     -1.3858582416
 C      1.3436764284      2.5181319036     -2.2939217236
 C      1.4287189172      1.4706039264     -3.1483594500
 C      1.4398968418      0.3318540346     -3.5958657758
 C      1.2050096630     -1.0080741180     -3.5985822835
 C      0.8686504782     -2.1224079814     -3.2696800999
 C      0.3885023680     -3.0174775000     -2.3842917343
 C      0.0109920163     -3.6305191937     -1.4208347686
 C     -0.3618559331     -3.8660922246     -0.1493687241
 C     -0.7259226826     -3.6377533767      0.9788147826
18
# ORCA AIMD Position Step 1979, t=1979.00 fs, E_Pot=-685.24138554 Hartree, Unit is Angstrom
 C     -1.2363867054     -2.8436232998      1.9279444393
 C     -1.6076723445     -1.8596681682      2.4742923278
 C     -1.6676136943     -0.5978216154      2.9420728075
 C     -1.4763403971      0.5997423822      3.0238195298
 C     -1.0396355579      1.8399533306      2.6947965599
 C     -0.5805912311      2.7139713338      2.0025709562
 C      0.0419217976      3.3002192159      0.9394845995
 C      0.6123055165      3.4865709736     -0.1140118939
 C      0.9356407327      3.2325048737     -1.3826350346
 C      1.3414036870      2.5207870667     -2.2886659473
 C      1.4344856512      1.4715927101     -3.1425376841
 C      1.4411242196      0.3280089122     -3.5952333661
 C      1.2039636985     -1.0006434910     -3.5896119697
 C      0.8687643434     -2.1242729127     -3.2701283438
 C      0.3855584658     -3.0193245572     -2.3953041915
 C      0.0013405107     -3.6311500226     -1.4199303062
 C     -0.3695771078     -3.8675861669     -0.1587743466
 C     -0.7254539464     -3.6393199829      0.9689604462
18
# ORCA AIMD Position Step 1980, t=1980.00 fs, E_Pot=-685.24027877 Hartree, Unit is Angstrom
 C     -1.2373234663     -2.8477242471      1.9249897731
 C     -1.6065186674     -1.8593464867      2.4686947095
 C     -1.6659115668     -0.5956463743      2.9347665629
 C     -1.4762817100      0.6030815201      3.0310357517
 C     -1.0366878276      1.8358747117      2.6983639919
 C     -0.5812317635      2.7078456929      2.0033699104
 C      0.0450041185      3.3038452534      0.9484355840
 C      0.6184383226      3.4881985128     -0.1167698665
 C      0.9387388717      3.2367029458     -1.3799951114
 C      1.3387554940      2.5234752083     -2.2839342252
 C      1.4404084992      1.4719207594     -3.1368346157
 C      1.4423065600      0.3250066549     -3.5941607467
 C      1.2029745922     -0.9929945758     -3.5809648239
 C      0.8688668037     -2.1258313271     -3.2705039100
 C      0.3826694552     -3.0216984325     -2.4063986693
 C     -0.0079680893     -3.6318053133     -1.4194668280
 C     -0.3772376481     -3.8693405659     -0.1685001275
 C     -0.7254579213     -3.6408219885      0.9596326607
18
# ORCA AIMD Position Step 1981, t=1981.00 fs, E_Pot=-685.23906302 Hartree, Unit is Angstrom
 C     -1.2375807437     -2.8538326115      1.9209434835
 C     -1.6058816466     -1.8571851688      2.4646579729
 C     -1.6642721803     -0.5931171677      2.9274599349
 C     -1.4762326886      0.6061763340      3.0383091883
 C     -1.0342930125      1.8311477534      2.7023057689
 C     -0.5810248201      2.7026771685      2.0032713059
 C      0.0481032203      3.3074753824      0.9575280266
 C      0.6235329362      3.4900551960     -0.1182536138
 C      0.9427038768      3.2404783419     -1.3779185571
 C      1.3358667235      2.5259163970     -2.2800340344
 C      1.4464450888      1.4714932866     -3.1312617466
 C      1.4435053148      0.3233872224     -3.5925048394
 C      1.2019090043     -0.9857524938     -3.5725846374
 C      0.8690826964     -2.1266997033     -3.2709671458
 C      0.3795579896     -3.0250095190     -2.4168992488
 C     -0.0166126526     -3.6321008644     -1.4203918458
 C     -0.3848643458     -3.8714283148     -0.1784421300
 C     -0.7260904541     -3.6421343334      0.9512017593
18
# ORCA AIMD Position Step 1982, t=1982.00 fs, E_Pot=-685.23838760 Hartree, Unit is Angstrom
 C     -1.2372874904     -2.8615375634      1.9159805585
 C     -1.6055989061     -1.8535797990      2.4619314643
 C     -1.6626902869     -0.5902514256      2.9201804198
 C     -1.4762401223      0.6088134847      3.0456331487
 C     -1.0323937080      1.8259562035      2.7065727495
 C     -0.5799530639      2.6984755418      2.0023100193
 C      0.0515047729      3.3111704035      0.9661577987
 C      0.6272698212      3.4920921707     -0.1177546192
 C      0.9474586139      3.2439586270     -1.3762891944
 C      1.3328750225      2.5278312296     -2.2772664235
 C      1.4525533271      1.4703537728     -3.1257807849
 C      1.4447755781      0.3235011717     -3.5901833357
 C      1.2006598818     -0.9794387513     -3.5644321759
 C      0.8694960778     -2.1265943305     -3.2716163855
 C      0.3760350377     -3.0295128520     -2.4263500331
 C     -0.0243545024     -3.6317708452     -1.4234268488
 C     -0.3925022272     -3.8739064681     -0.1884522489
 C     -0.7274387640     -3.6432033535      0.9438671100
18
# ORCA AIMD Position Step 1983, t=1983.00 fs, E_Pot=-685.23847338 Hartree, Unit is Angstrom
 C     -1.2366964582     -2.8701229439      1.9104897862
 C     -1.6054245754     -1.8492118778      2.4601186380
 C     -1.6611705987     -0.5870993711      2.9129690609
 C     -1.4763446351      0.6108452048      3.0530042830
 C     -1.0308568871      1.8206260484      2.7110037766
 C     -0.5780930299      2.6951028753      2.0006579348
 C      0.0554048264      3.3149684509      0.9738882771
 C      0.6294671510      3.4942700964     -0.1148796138
 C      0.9529110743      3.2472663027     -1.3749222394
 C      1.3298984596      2.5289988241     -2.2758614929
 C      1.4586922866      1.4686581231     -3.1203255068
 C      1.4461557987      0.3254817051     -3.5871748929
 C      1.1991643093     -0.9744109439     -3.5564989922
 C      0.8701319368     -2.1253759341     -3.2724699116
 C      0.3720304973     -3.0352728454     -2.4345630462
 C     -0.0310631893     -3.6306946986     -1.4289830782
 C     -0.4002028153     -3.8768065706     -0.1983470356
 C     -0.7295149775     -3.6440484901      0.9376354829
18
# ORCA AIMD Position Step 1984, t=1984.00 fs, E_Pot=-685.23910250 Hartree, Unit is Angstrom
 C     -1.2361262320     -2.8787140876      1.9049882434
 C     -1.6050839996     -1.8448941921      2.4587619438
 C     -1.6597266872     -0.5837516155      2.9058769608
 C     -1.4765785837      0.6121917550      3.0604186096
 C     -1.0294959126      1.8155824697      2.7153538288
 C     -0.5755931857      2.6923135756      1.9985883042
 C      0.0598936109      3.3188768751      0.9804826721
 C      0.6300922648      3.4965576870     -0.1095811973
 C      0.9589679943      3.2504879985     -1.3736036057
 C      1.3270167166      2.5293104821     -2.2759186731
 C      1.4648246577      1.4666429296     -3.1148227211
 C      1.4476602678      0.3292272464     -3.5835166151
 C      1.1974144143     -0.9708187166     -3.5488126202
 C      0.8709503662     -2.1230675315     -3.2734658284
 C      0.3676036938     -3.0421582618     -2.4416297368
 C     -0.0367313831     -3.6289061476     -1.4371168741
 C     -0.4080116870     -3.8801280692     -0.2079311345
 C     -0.7322608378     -3.6447550361      0.9323294738
18
# ORCA AIMD Position Step 1985, t=1985.00 fs, E_Pot=-685.23980704 Hartree, Unit is Angstrom
 C     -1.2359038553     -2.8864278027      1.9000267906
 C     -1.6043192607     -1.8414207257      2.4574199390
 C     -1.6583805572     -0.5803307944      2.8989567851
 C     -1.4769639986      0.6128278226      3.0678706463
 C     -1.0280988990      1.8112924560      2.7193354865
 C     -0.5726467665      2.6897986067      1.9964391823
 C      0.0649526217      3.3228748922      0.9859115542
 C      0.6292636638      3.4989371945     -0.1021412185
 C      0.9655474997      3.2536416766     -1.3721484359
 C      1.3242583022      2.5288086229     -2.2773609138
 C      1.4709180406      1.4646027325     -3.1092019208
 C      1.4492852766      0.3344247566     -3.5793000656
 C      1.1954507282     -0.9686085721     -3.5414304117
 C      0.8718581251     -2.1198501025     -3.2744813818
 C      0.3629255646     -3.0498652952     -2.4478920911
 C     -0.0414723637     -3.6265858582     -1.4475374780
 C     -0.4159664250     -3.8838309619     -0.2170167541
 C     -0.7355591526     -3.6454615171      0.9276135947
18
# ORCA AIMD Position Step 1986, t=1986.00 fs, E_Pot=-685.24014717 Hartree, Unit is Angstrom
 C     -1.2363079290     -2.8925139164      1.8960941524
 C     -1.6029306519     -1.8394353719      2.4557326613
 C     -1.6571555628     -0.5769897501      2.8922534193
 C     -1.4775096883      0.6127870687      3.0753506437
 C     -1.0264652094      1.8081808755      2.7226749534
 C     -0.5694493600      2.6872558561      1.9945416645
 C      0.0704579512      3.3269079250      0.9903604966
 C      0.6272298632      3.5014044176     -0.0931233678
 C      0.9725900255      3.2566769761     -1.3704241053
 C      1.3215998251      2.5276939772     -2.2799338667
 C      1.4769518424      1.4628463522     -3.1034091662
 C      1.4510038881      0.3405800627     -3.5746561813
 C      1.1933631926     -0.9675244071     -3.5344326620
 C      0.8727187871     -2.1160323835     -3.2753542746
 C      0.3582613684     -3.0579590093     -2.4539046063
 C     -0.0455142330     -3.6240425040     -1.4596465457
 C     -0.4240872456     -3.8878477303     -0.2254667128
 C     -0.7392679039     -3.6463251873      0.9230746281
18
# ORCA AIMD Position Step 1987, t=1987.00 fs, E_Pot=-685.23994704 Hartree, Unit is Angstrom
 C     -1.2375297871     -2.8964513769      1.8935404756
 C     -1.6007956077     -1.8393507727      2.4534613571
 C     -1.6560727296     -0.5738959745      2.8857986168
 C     -1.4782088121      0.6121489207      3.0828406751
 C     -1.0244390181      1.8065638725      2.7251596112
 C     -0.5661672856      2.6844387349      1.9931766438
 C      0.0761994557      3.3308945733      0.9941983649
 C      0.6243402049      3.5039732268     -0.0832979076
 C      0.9800576721      3.2594806801     -1.3683674149
 C      1.3189744482      2.5263051165     -2.2832300081
 C      1.4829200459      1.4616632535     -3.0974147549
 C      1.4527757305      0.3470923413     -3.5697390988
 C      1.1912748652     -0.9671613997     -3.5279118632
 C      0.8733776037     -2.1120020063     -3.2759161991
 C      0.3539269304     -3.0659404926     -2.4603472671
 C     -0.0491670736     -3.6216715506     -1.4726393003
 C     -0.4323770299     -3.8920919696     -0.2332112556
 C     -0.7432526896     -3.6474901119      0.9183045352
18
# ORCA AIMD Position Step 1988, t=1988.00 fs, E_Pot=-685.23940719 Hartree, Unit is Angstrom
 C     -1.2396441274     -2.8980125646      1.8925176022
 C     -1.5978772453     -1.8413001837      2.4505115463
 C     -1.6551484621     -0.5712261487      2.8796075724
 C     -1.4790360129      0.6110340981      3.0903090378
 C     -1.0219376753      1.8065932496      2.7266773432
 C     -0.5629092894      2.6812023792      1.9925328244
 C      0.0819084478      3.3347331982      0.9979276907
 C      0.6210050721      3.5066731921     -0.0735546939
 C      0.9879247883      3.2619050235     -1.3659678577
 C      1.3162913135      2.5250672310     -2.2867509580
 C      1.4888301571      1.4612911309     -3.0912180867
 C      1.4545530023      0.3533356853     -3.5647047553
 C      1.1893265689     -0.9670335967     -3.5219630883
 C      0.8736829220     -2.1081678711     -3.2760199072
 C      0.3502394374     -3.0733245473     -2.4679147460
 C     -0.0527754572     -3.6198962009     -1.4856375782
 C     -0.4408201736     -3.8964709001     -0.2402587601
 C     -0.7474207521     -3.6490502186      0.9129899094
18
# ORCA AIMD Position Step 1989, t=1989.00 fs, E_Pot=-685.23898709 Hartree, Unit is Angstrom
 C     -1.2425956318     -2.8972923962      1.8929469824
 C     -1.5942266559     -1.8451219034      2.4469413612
 C     -1.6543912031     -0.5691448441      2.8736854060
 C     -1.4799445561      0.6095909499      3.0977022707
 C     -1.0189684478      1.8082226997      2.7272400500
 C     -0.5597148259      2.6775261578      1.9926888462
 C      0.0872965329      3.3383177122      1.0020954483
 C      0.6176459015      3.5095418600     -0.0647850253
 C      0.9961638045      3.2638005947     -1.3632476828
 C      1.3134591927      2.5244314810     -2.2899810664
 C      1.4946992536      1.4618783005     -3.0848589339
 C      1.4562878662      0.3587522514     -3.5596852319
 C      1.1876573000     -0.9666603415     -3.5166732095
 C      0.8735109123     -2.1048883491     -3.2755665909
 C      0.3474573623     -3.0797279958     -2.4771743970
 C     -0.0566583728     -3.6190935733     -1.4978471564
 C     -0.4493807020     -3.9008951449     -0.2466901531
 C     -0.7517418128     -3.6510291863      0.9069701885
18
# ORCA AIMD Position Step 1990, t=1990.00 fs, E_Pot=-685.23896143 Hartree, Unit is Angstrom
 C     -1.2461965647     -2.8947258785      1.8945083776
 C     -1.5899840676     -1.8503520440      2.4429639503
 C     -1.6537983553     -0.5677958409      2.8680311839
 C     -1.4808711302      0.6079864544      3.1049408228
 C     -1.0156392924      1.8112002122      2.7269943790
 C     -0.5565464816      2.6735243235      1.9936024607
 C      0.0921113857      3.3415539066      1.0071826915
 C      0.6146342820      3.5126138133     -0.0577657963
 C      1.0047277378      3.2650547323     -1.3602191602
 C      1.3104115980      2.5248034228     -2.2924552417
 C      1.5005429718      1.4634611112     -3.0784202282
 C      1.4579440927      0.3629257305     -3.5547749297
 C      1.1863789601     -0.9656497703     -3.5121090892
 C      0.8727922412     -2.1024057148     -3.2745270138
 C      0.3457174208     -3.0849481046     -2.4884263229
 C     -0.0610406231     -3.6195209792     -1.5087094143
 C     -0.4580073126     -3.9052858567     -0.2526529572
 C     -0.7562504577     -3.6533671038      0.9002720949
18
# ORCA AIMD Position Step 1991, t=1991.00 fs, E_Pot=-685.23920713 Hartree, Unit is Angstrom
 C     -1.2501443834     -2.8910553031      1.8966678068
 C     -1.5853697501     -1.8562557108      2.4389339130
 C     -1.6533571050     -0.5672774221      2.8626489639
 C     -1.4817424694      0.6063830446      3.1119166053
 C     -1.0121512637      1.8150861369      2.7262145568
 C     -0.5532959653      2.6694370022      1.9951215665
 C      0.0961966637      3.3443827326      1.0134783415
 C      0.6122334994      3.5159000267     -0.0530285981
 C      1.0135413277      3.2656192689     -1.3568574711
 C      1.3071205955      2.5264884711     -2.2938303245
 C      1.5063718433      1.4659502103     -3.0720279861
 C      1.4594972929      0.3656402968     -3.5500087153
 C      1.1855624585     -0.9637733806     -3.5083085243
 C      0.8715257362     -2.1007856149     -3.2729528523
 C      0.3449948607     -3.0890165005     -2.5016061873
 C     -0.0660088568     -3.6212604810     -1.5180076884
 C     -0.4666326340     -3.9095822071     -0.2583420184
 C     -0.7610385221     -3.6559334329      0.8930947801
18
# ORCA AIMD Position Step 1992, t=1992.00 fs, E_Pot=-685.23924489 Hartree, Unit is Angstrom
 C     -1.2540617138     -2.8872428555      1.8987473172
 C     -1.5806616413     -1.8619095387      2.4353062539
 C     -1.6530432860     -0.5676250792      2.8575526967
 C     -1.4824808968      0.6049143645      3.1185011849
 C     -1.0087749864      1.8193052777      2.7252737195
 C     -0.5498069439      2.6655970085      1.9970108970
 C      0.0995366044      3.3468017971      1.0209854560
 C      0.6105555812      3.5193759702     -0.0507632944
 C      1.0225004425      3.2655301412     -1.3530801320
 C      1.3036070280      2.5296415911     -2.2939292795
 C      1.5121851289      1.4691476856     -3.0658364658
 C      1.4609403804      0.3669050001     -3.5453581045
 C      1.1852263494     -0.9610045591     -3.5052734601
 C      0.8697843363     -2.0998932880     -3.2709766348
 C      0.3450949310     -3.0922042096     -2.5162764127
 C     -0.0715009309     -3.6242102684     -1.5258874239
 C     -0.4751806849     -3.9137414922     -0.2639804721
 C     -0.7662339978     -3.6585536916      0.8857571256
18
# ORCA AIMD Position Step 1993, t=1993.00 fs, E_Pot=-685.23873595 Hartree, Unit is Angstrom
 C     -1.2575633897     -2.8843120956      1.9000378320
 C     -1.5761483591     -1.8663591228      2.4325570549
 C     -1.6528216358     -0.5687845936      2.8527740745
 C     -1.4830164711      0.6036624971      3.1245544645
 C     -1.0058121778      1.8232280673      2.7245909931
 C     -0.5459096194      2.6623627066      1.9990119623
 C      0.1022753463      3.3488786774      1.0293883248
 C      0.6095501932      3.5229801938     -0.0507913495
 C      1.0314802915      3.2649085205     -1.3487399988
 C      1.2999407499      2.5342534882     -2.2927578591
 C      1.5179692656      1.4727810604     -3.0600076193
 C      1.4622854702      0.3669347415     -3.5407369085
 C      1.1853374152     -0.9575092010     -3.5029702906
 C      0.8677082661     -2.0994088497     -3.2687979721
 C      0.3456877752     -3.0949710358     -2.5317195158
 C     -0.0773371464     -3.6281262810     -1.5327839049
 C     -0.4835824842     -3.9177381161     -0.2697873969
 C     -0.7719707398     -3.6610463207      0.8786146093
18
# ORCA AIMD Position Step 1994, t=1994.00 fs, E_Pot=-685.23786185 Hartree, Unit is Angstrom
 C     -1.2603311955     -2.8831454500      1.8999297030
 C     -1.5720694593     -1.8688164539      2.4310813266
 C     -1.6526496612     -0.5706095048      2.8483670890
 C     -1.4832936207      0.6026492397      3.1299362664
 C     -1.0035434511      1.8262695166      2.7245608310
 C     -0.5414610766      2.6600463133      2.0009042281
 C      0.1046861419      3.3507420933      1.0381135149
 C      0.6090351814      3.5266239124     -0.0526252441
 C      1.0403478156      3.2639502032     -1.3436323051
 C      1.2962350858      2.5401491932     -2.2905008559
 C      1.5236969792      1.4765630667     -3.0546824427
 C      1.4635611197      0.3660981836     -3.5360185897
 C      1.1858245837     -0.9535948378     -3.5013401147
 C      0.8654772724     -2.0988969682     -3.2666499938
 C      0.3463748361     -3.0978690476     -2.5470940008
 C     -0.0832776330     -3.6326959241     -1.5392815193
 C     -0.4917841581     -3.9215576813     -0.2759510468
 C     -0.7783644570     -3.6632552570      0.8719772705
18
# ORCA AIMD Position Step 1995, t=1995.00 fs, E_Pot=-685.23718927 Hartree, Unit is Angstrom
 C     -1.2621802291     -2.8842771824      1.8980394236
 C     -1.5685597065     -1.8688630849      2.4310896277
 C     -1.6524822109     -0.5728700168      2.8444101547
 C     -1.4832758778      0.6018420310      3.1345142351
 C     -1.0021782527      1.8279855310      2.7254776442
 C     -0.5363859403      2.6588400494      2.0025690495
 C      0.1071114721      3.3525581788      1.0464476502
 C      0.6087539657      3.5302089986     -0.0555876838
 C      1.0489742079      3.2628993833     -1.3375222547
 C      1.2926353395      2.5470171916     -2.2874875314
 C      1.5293271107      1.4802451117     -3.0499591424
 C      1.4648064666      0.3648467640     -3.5310606737
 C      1.1865983116     -0.9496366085     -3.5003129832
 C      0.8632744198     -2.0979037070     -3.2647590415
 C      0.3467659836     -3.1014341539     -2.5615938379
 C     -0.0890824742     -3.6376112779     -1.5459631873
 C     -0.4997532253     -3.9251874661     -0.2826000338
 C     -0.7854886088     -3.6650748062      0.8660397530
18
# ORCA AIMD Position Step 1996, t=1996.00 fs, E_Pot=-685.23716437 Hartree, Unit is Angstrom
 C     -1.2630954206     -2.8877568466      1.8942917971
 C     -1.5656176702     -1.8665807405      2.4325405595
 C     -1.6522771871     -0.5752772981      2.8410032083
 C     -1.4829461961      0.6011720636      3.1381729093
 C     -1.0018148433      1.8281435005      2.7274789245
 C     -0.5307063195      2.6587672565      2.0040287263
 C      0.1098953380      3.3544996663      1.0536695245
 C      0.6084351771      3.5336455653     -0.0589430893
 C      1.0572441830      3.2620094701     -1.3301915336
 C      1.2893039277      2.5544590434     -2.2841319554
 C      1.5348033615      1.4836546267     -3.0458834950
 C      1.4660649612      0.3636417457     -3.5257293658
 C      1.1875706905     -0.9460004752     -3.4998227650
 C      0.8612483473     -2.0960584025     -3.2633031610
 C      0.3465453372     -3.1060867648     -2.5745716298
 C     -0.0945562761     -3.6426215296     -1.5532900418
 C     -0.5074760975     -3.9286054306     -0.2897831871
 C     -0.7933588283     -3.6664655228      0.8608392103
18
# ORCA AIMD Position Step 1997, t=1997.00 fs, E_Pot=-685.23774596 Hartree, Unit is Angstrom
 C     -1.2632265192     -2.8931429152      1.8889287424
 C     -1.5631125651     -1.8625476450      2.4351399868
 C     -1.6520004706     -0.5775196661      2.8382592753
 C     -1.4823048251      0.6005580607      3.1408214571
 C     -1.0024211229      1.8267534060      2.7305189102
 C     -0.5245492540      2.6596715582      2.0054501689
 C      0.1133189344      3.3567118587      1.0591733741
 C      0.6078427901      3.5368676559     -0.0620087606
 C      1.0650700778      3.2614965758     -1.3215017459
 C      1.2864003519      2.5620560423     -2.2808547306
 C      1.5400577428      1.4867120614     -3.0424472590
 C      1.4673767924      0.3628908030     -3.5199213188
 C      1.1886721789     -0.9429772389     -3.4998164693
 C      0.8594821225     -2.0931595517     -3.2623800834
 C      0.3455191080     -3.1120579594     -2.5856185802
 C     -0.0995771864     -3.6475641872     -1.5615258762
 C     -0.5149544668     -3.9317756512     -0.2974623130
 C     -0.8019239563     -3.6674566015      0.8562404832
18
# ORCA AIMD Position Step 1998, t=1998.00 fs, E_Pot=-685.23852056 Hartree, Unit is Angstrom
 C     -1.2628422028     -2.8996297136      1.8824411752
 C     -1.5608269336     -1.8576945893      2.4384102434
 C     -1.6516296905     -0.5793087014      2.8362884868
 C     -1.4813667801      0.5999283119      3.1424035395
 C     -1.0038401605      1.8240534700      2.7343826735
 C     -0.5181240488      2.6612513810      2.0071074905
 C      0.1175538855      3.3592840668      1.0625663894
 C      0.6068081919      3.5398439665     -0.0642355038
 C      1.0724070560      3.2614929507     -1.3114561861
 C      1.2840600061      2.5694427219     -2.2779971431
 C      1.5450177781      1.4894321177     -3.0395938395
 C      1.4687733514      0.3628978555     -3.5135756683
 C      1.1898631708     -0.9407336832     -3.5002581819
 C      0.8579753577     -2.0892238757     -3.2619909315
 C      0.3436387793     -3.1193535225     -2.5946012486
 C     -0.1041100050     -3.6523770170     -1.5707106140
 C     -0.5222039576     -3.9346483955     -0.3055252485
 C     -0.8110713007     -3.6681417463      0.8519519699
18
# ORCA AIMD Position Step 1999, t=1999.00 fs, E_Pot=-685.23902607 Hartree, Unit is Angstrom
 C     -1.2622654881     -2.9062445372      1.8754556353
 C     -1.5585140917     -1.8530868767      2.4417979551
 C     -1.6511547295     -0.5804266970      2.8351806961
 C     -1.4801584096      0.5992339666      3.1429038681
 C     -1.0058190633      1.8204567110      2.7387344280
 C     -0.5116769242      2.6631285996      2.0093163055
 C      0.1226348233      3.3622297106      1.0637327423
 C      0.6052474705      3.5425845536     -0.0652582765
 C      1.0792646118      3.2620143138     -1.3002415676
 C      1.2823769647      2.5763688233     -2.2757495846
 C      1.5496166569      1.4919109838     -3.0372286342
 C      1.4702734939      0.3638328917     -3.5066768213
 C      1.1911387756     -0.9392895071     -3.5011299210
 C      0.8566451522     -2.0844853913     -3.2620446979
 C      0.3409969404     -3.1277623311     -2.6016556222
 C     -0.1082072727     -3.6570962439     -1.5806740625
 C     -0.5292526968     -3.9371681780     -0.3138129422
 C     -0.8206452990     -3.6686637447      0.8475666278
18
# ORCA AIMD Position Step 2000, t=2000.00 fs, E_Pot=-685.23902046 Hartree, Unit is Angstrom
 C     -1.2618128284     -2.9120392339      1.8686133094
 C     -1.5559479655     -1.8497172651      2.4447787041
 C     -1.6505757925     -0.5807603954      2.8349931416
 C     -1.4787159572      0.5984489112      3.1423490544
 C     -1.0080484988      1.8164810892      2.7431787500
 C     -0.5054438164      2.6649220823      2.0123681921
 C      0.1284545360      3.3654797086      1.0628532317
 C      0.6031631104      3.5451407768     -0.0649186544
 C      1.0857094841      3.2629517382     -1.2882343282
 C      1.2813952855      2.5827367401     -2.2741127235
 C      1.5538021579      1.4943028628     -3.0352348337
 C      1.4718815829      0.3657250647     -3.4992500603
 C      1.1925270005     -0.9385292072     -3.5024267948
 C      0.8553454596     -2.0793419327     -3.2623851403
 C      0.3377999608     -3.1369048296     -2.6071413154
 C     -0.1119952721     -3.6618405883     -1.5910844148
 C     -0.5361410381     -3.9392836375     -0.3221436201
 C     -0.8304723820     -3.6691907398      0.8426223755
