b3lyp/6-31g(d) opted GAUSSIAN 126 MOL ORBITALS 216 PRIMITIVES 12 NUCLEI C 1 (CENTRE 1) 0.00000000 2.63846585 0.00000000 CHARGE = 6.0 C 2 (CENTRE 2) 2.28497845 1.31923293 0.00000000 CHARGE = 6.0 C 3 (CENTRE 3) 2.28497845 -1.31923293 0.00000000 CHARGE = 6.0 C 4 (CENTRE 4) 0.00000000 -2.63846585 0.00000000 CHARGE = 6.0 C 5 (CENTRE 5) -2.28497845 -1.31923293 0.00000000 CHARGE = 6.0 C 6 (CENTRE 6) -2.28497845 1.31923293 0.00000000 CHARGE = 6.0 H 7 (CENTRE 7) 0.00000000 4.69214839 0.00000000 CHARGE = 1.0 H 8 (CENTRE 8) 4.06351971 2.34607420 0.00000000 CHARGE = 1.0 H 9 (CENTRE 9) 4.06351971 -2.34607420 0.00000000 CHARGE = 1.0 H 10 (CENTRE 10) 0.00000000 -4.69214839 0.00000000 CHARGE = 1.0 H 11 (CENTRE 11) -4.06351971 -2.34607420 0.00000000 CHARGE = 1.0 H 12 (CENTRE 12) -4.06351971 2.34607420 0.00000000 CHARGE = 1.0 CENTRE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CENTRE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 CENTRE ASSIGNMENTS 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 CENTRE ASSIGNMENTS 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 CENTRE ASSIGNMENTS 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 CENTRE ASSIGNMENTS 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 CENTRE ASSIGNMENTS 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 CENTRE ASSIGNMENTS 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 CENTRE ASSIGNMENTS 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 CENTRE ASSIGNMENTS 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 CENTRE ASSIGNMENTS 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 1 2 TYPE ASSIGNMENTS 3 4 1 2 3 4 5 6 7 8 9 10 1 1 1 1 1 1 1 1 TYPE ASSIGNMENTS 1 2 2 2 3 3 3 4 4 4 1 2 3 4 1 2 3 4 5 6 TYPE ASSIGNMENTS 7 8 9 10 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 TYPE ASSIGNMENTS 4 4 1 2 3 4 1 2 3 4 5 6 7 8 9 10 1 1 1 1 TYPE ASSIGNMENTS 1 1 1 1 1 2 2 2 3 3 3 4 4 4 1 2 3 4 1 2 TYPE ASSIGNMENTS 3 4 5 6 7 8 9 10 1 1 1 1 1 1 1 1 1 2 2 2 TYPE ASSIGNMENTS 3 3 3 4 4 4 1 2 3 4 1 2 3 4 5 6 7 8 9 10 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 1 2 TYPE ASSIGNMENTS 3 4 1 2 3 4 5 6 7 8 9 10 1 1 1 1 1 1 1 1 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 EXPONENTS 0.3047525D+04 0.4573695D+03 0.1039487D+03 0.2921016D+02 0.9286663D+01 EXPONENTS 0.3163927D+01 0.7868272D+01 0.1881289D+01 0.5442493D+00 0.7868272D+01 EXPONENTS 0.1881289D+01 0.5442493D+00 0.7868272D+01 0.1881289D+01 0.5442493D+00 EXPONENTS 0.7868272D+01 0.1881289D+01 0.5442493D+00 0.1687145D+00 0.1687145D+00 EXPONENTS 0.1687145D+00 0.1687145D+00 0.4380000D-01 0.4380000D-01 0.4380000D-01 EXPONENTS 0.4380000D-01 0.8000000D+00 0.8000000D+00 0.8000000D+00 0.8000000D+00 EXPONENTS 0.8000000D+00 0.8000000D+00 0.3047525D+04 0.4573695D+03 0.1039487D+03 EXPONENTS 0.2921016D+02 0.9286663D+01 0.3163927D+01 0.7868272D+01 0.1881289D+01 EXPONENTS 0.5442493D+00 0.7868272D+01 0.1881289D+01 0.5442493D+00 0.7868272D+01 EXPONENTS 0.1881289D+01 0.5442493D+00 0.7868272D+01 0.1881289D+01 0.5442493D+00 EXPONENTS 0.1687145D+00 0.1687145D+00 0.1687145D+00 0.1687145D+00 0.4380000D-01 EXPONENTS 0.4380000D-01 0.4380000D-01 0.4380000D-01 0.8000000D+00 0.8000000D+00 EXPONENTS 0.8000000D+00 0.8000000D+00 0.8000000D+00 0.8000000D+00 0.3047525D+04 EXPONENTS 0.4573695D+03 0.1039487D+03 0.2921016D+02 0.9286663D+01 0.3163927D+01 EXPONENTS 0.7868272D+01 0.1881289D+01 0.5442493D+00 0.7868272D+01 0.1881289D+01 EXPONENTS 0.5442493D+00 0.7868272D+01 0.1881289D+01 0.5442493D+00 0.7868272D+01 EXPONENTS 0.1881289D+01 0.5442493D+00 0.1687145D+00 0.1687145D+00 0.1687145D+00 EXPONENTS 0.1687145D+00 0.4380000D-01 0.4380000D-01 0.4380000D-01 0.4380000D-01 EXPONENTS 0.8000000D+00 0.8000000D+00 0.8000000D+00 0.8000000D+00 0.8000000D+00 EXPONENTS 0.8000000D+00 0.3047525D+04 0.4573695D+03 0.1039487D+03 0.2921016D+02 EXPONENTS 0.9286663D+01 0.3163927D+01 0.7868272D+01 0.1881289D+01 0.5442493D+00 EXPONENTS 0.7868272D+01 0.1881289D+01 0.5442493D+00 0.7868272D+01 0.1881289D+01 EXPONENTS 0.5442493D+00 0.7868272D+01 0.1881289D+01 0.5442493D+00 0.1687145D+00 EXPONENTS 0.1687145D+00 0.1687145D+00 0.1687145D+00 0.4380000D-01 0.4380000D-01 EXPONENTS 0.4380000D-01 0.4380000D-01 0.8000000D+00 0.8000000D+00 0.8000000D+00 EXPONENTS 0.8000000D+00 0.8000000D+00 0.8000000D+00 0.3047525D+04 0.4573695D+03 EXPONENTS 0.1039487D+03 0.2921016D+02 0.9286663D+01 0.3163927D+01 0.7868272D+01 EXPONENTS 0.1881289D+01 0.5442493D+00 0.7868272D+01 0.1881289D+01 0.5442493D+00 EXPONENTS 0.7868272D+01 0.1881289D+01 0.5442493D+00 0.7868272D+01 0.1881289D+01 EXPONENTS 0.5442493D+00 0.1687145D+00 0.1687145D+00 0.1687145D+00 0.1687145D+00 EXPONENTS 0.4380000D-01 0.4380000D-01 0.4380000D-01 0.4380000D-01 0.8000000D+00 EXPONENTS 0.8000000D+00 0.8000000D+00 0.8000000D+00 0.8000000D+00 0.8000000D+00 EXPONENTS 0.3047525D+04 0.4573695D+03 0.1039487D+03 0.2921016D+02 0.9286663D+01 EXPONENTS 0.3163927D+01 0.7868272D+01 0.1881289D+01 0.5442493D+00 0.7868272D+01 EXPONENTS 0.1881289D+01 0.5442493D+00 0.7868272D+01 0.1881289D+01 0.5442493D+00 EXPONENTS 0.7868272D+01 0.1881289D+01 0.5442493D+00 0.1687145D+00 0.1687145D+00 EXPONENTS 0.1687145D+00 0.1687145D+00 0.4380000D-01 0.4380000D-01 0.4380000D-01 EXPONENTS 0.4380000D-01 0.8000000D+00 0.8000000D+00 0.8000000D+00 0.8000000D+00 EXPONENTS 0.8000000D+00 0.8000000D+00 0.1873114D+02 0.2825394D+01 0.6401217D+00 EXPONENTS 0.1612778D+00 0.1873114D+02 0.2825394D+01 0.6401217D+00 0.1612778D+00 EXPONENTS 0.1873114D+02 0.2825394D+01 0.6401217D+00 0.1612778D+00 0.1873114D+02 EXPONENTS 0.2825394D+01 0.6401217D+00 0.1612778D+00 0.1873114D+02 0.2825394D+01 EXPONENTS 0.6401217D+00 0.1612778D+00 0.1873114D+02 0.2825394D+01 0.6401217D+00 EXPONENTS 0.1612778D+00 MO 1 MO 0.0 OCC NO = 2.0000003 ORB. ENERGY = 0.000000 -0.22883731D-01 -0.42216015D-01 -0.68149738D-01 -0.88710710D-01 -0.75697009D-01 -0.26136358D-01 -0.69888617D-01 -0.32211600D-01 0.90324688D-01 -0.66919773D-11 -0.51309837D-11 -0.25607205D-11 0.18709028D-01 0.14344896D-01 0.71591086D-02 0.45021225D-11 0.34519420D-11 0.17227610D-11 0.23022515D-01 0.30233783D-12 0.27436869D-02 0.28398158D-12 0.91687290D-04 -0.10211865D-12 0.14748409D-03 0.52763288D-14 0.38096388D-02 0.25233600D-02 -0.12012692D-01 0.14492456D-11 -0.69018377D-17 -0.31435329D-12 -0.22880183D-01 -0.42209471D-01 -0.68139173D-01 -0.88696957D-01 -0.75685274D-01 -0.26132306D-01 -0.69888625D-01 -0.32211604D-01 0.90324699D-01 0.16202776D-01 0.12423261D-01 0.62000778D-02 0.93555165D-02 0.71732166D-02 0.35799378D-02 0.45021626D-11 0.34519728D-11 0.17227763D-11 0.23022458D-01 0.23761068D-02 0.13718779D-02 0.28395770D-12 0.91719925D-04 0.12772329D-03 0.73742947D-04 0.53055765D-14 0.28449371D-02 0.34879755D-02 -0.12012745D-01 -0.11138827D-02 -0.27222493D-12 -0.15716437D-12 -0.22880183D-01 -0.42209470D-01 -0.68139172D-01 -0.88696956D-01 -0.75685273D-01 -0.26132306D-01 -0.69888625D-01 -0.32211604D-01 0.90324699D-01 0.16202776D-01 0.12423261D-01 0.62000778D-02 -0.93555165D-02 -0.71732166D-02 -0.35799378D-02 0.45020788D-11 0.34519085D-11 0.17227443D-11 0.23022458D-01 0.23761068D-02 -0.13718779D-02 0.28398630D-12 0.91719940D-04 0.12772329D-03 -0.73742946D-04 0.52582858D-14 0.28449371D-02 0.34879755D-02 -0.12012745D-01 0.11138827D-02 -0.27220953D-12 0.15719309D-12 -0.22883732D-01 -0.42216017D-01 -0.68149741D-01 -0.88710714D-01 -0.75697013D-01 -0.26136360D-01 -0.69888617D-01 -0.32211600D-01 0.90324688D-01 -0.86593277D-11 -0.66394233D-11 -0.33135375D-11 -0.18709028D-01 -0.14344896D-01 -0.71591086D-02 0.45021284D-11 0.34519465D-11 0.17227632D-11 0.23022515D-01 -0.43817383D-13 -0.27436869D-02 0.28397787D-12 0.91687272D-04 0.26855641D-13 -0.14748409D-03 0.52861979D-14 0.38096388D-02 0.25233600D-02 -0.12012692D-01 -0.13040881D-11 0.14250059D-16 0.31434066D-12 -0.22880183D-01 -0.42209470D-01 -0.68139172D-01 -0.88696956D-01 -0.75685274D-01 -0.26132306D-01 -0.69888625D-01 -0.32211604D-01 0.90324699D-01 -0.16202776D-01 -0.12423261D-01 -0.62000778D-02 -0.93555164D-02 -0.71732166D-02 -0.35799378D-02 0.45021538D-11 0.34519660D-11 0.17227730D-11 0.23022458D-01 -0.23761068D-02 -0.13718779D-02 0.28396647D-12 0.91719941D-04 -0.12772329D-03 -0.73742946D-04 0.52943603D-14 0.28449371D-02 0.34879755D-02 -0.12012745D-01 -0.11138827D-02 0.27221612D-12 0.15716557D-12 -0.22880184D-01 -0.42209472D-01 -0.68139175D-01 -0.88696960D-01 -0.75685276D-01 -0.26132307D-01 -0.69888625D-01 -0.32211604D-01 0.90324699D-01 -0.16202776D-01 -0.12423261D-01 -0.62000778D-02 0.93555164D-02 0.71732166D-02 0.35799378D-02 0.45020852D-11 0.34519134D-11 0.17227467D-11 0.23022458D-01 -0.23761068D-02 0.13718779D-02 0.28398286D-12 0.91719922D-04 -0.12772329D-03 0.73742947D-04 0.52688868D-14 0.28449371D-02 0.34879755D-02 -0.12012745D-01 0.11138827D-02 0.27221780D-12 -0.15718102D-12 0.15357883D-01 0.26049877D-01 0.29656864D-01 0.38992810D-02 0.15357964D-01 0.26050014D-01 0.29657020D-01 0.38993752D-02 0.15357964D-01 0.26050014D-01 0.29657020D-01 0.38993752D-02 0.15357883D-01 0.26049877D-01 0.29656864D-01 0.38992810D-02 0.15357964D-01 0.26050014D-01 0.29657020D-01 0.38993752D-02 0.15357964D-01 0.26050014D-01 0.29657020D-01 0.38993752D-02 MO 2 MO 0.0 OCC NO = 2.0000001 ORB. ENERGY = 0.000000 -0.43400749D-09 -0.80065908D-09 -0.12925120D-08 -0.16824666D-08 -0.14356518D-08 -0.49569606D-09 -0.22650275D-10 -0.10439491D-10 0.29273422D-10 -0.97015238D-11 -0.74385131D-11 -0.37123394D-11 -0.44941807D-10 -0.34458527D-10 -0.17197220D-10 0.28954217D+00 0.22200257D+00 0.11079484D+00 0.43494401D-11 0.20082099D-12 0.26862051D-11 0.18263024D-01 0.10423748D-10 -0.96536389D-13 -0.73710514D-12 0.33969767D-03 0.12788482D-10 0.96597247D-11 0.24165794D-11 0.17584328D-11 -0.67332970D-16 -0.20216011D-01 -0.11989099D-08 -0.22117546D-08 -0.35704577D-08 -0.46476751D-08 -0.39658695D-08 -0.13693194D-08 0.41322072D-11 0.19045305D-11 -0.53405024D-11 -0.12783556D-10 -0.98016198D-11 -0.48916952D-11 -0.68579289D-11 -0.52582249D-11 -0.26242228D-11 0.28954205D+00 0.22200248D+00 0.11079479D+00 0.23733418D-10 -0.20620429D-11 -0.12101120D-11 0.18263044D-01 -0.97352139D-11 0.73565206D-12 0.48686162D-12 0.33966980D-03 0.24630759D-10 0.23392249D-10 0.16163594D-10 0.19812093D-11 -0.17507602D-01 -0.10107998D-01 -0.39030556D-09 -0.72003754D-09 -0.11623638D-08 -0.15130524D-08 -0.12910903D-08 -0.44578246D-09 -0.23864320D-10 -0.10999043D-10 0.30842465D-10 -0.43327104D-10 -0.33220475D-10 -0.16579345D-10 0.14121384D-10 0.10827382D-10 0.54036223D-11 0.28954205D+00 0.22200248D+00 0.11079479D+00 0.39273561D-11 0.24462283D-11 -0.11908117D-11 0.18263044D-01 0.10628004D-10 -0.65617342D-12 0.37750776D-12 0.33966980D-03 0.10349103D-10 0.10441036D-10 0.16211101D-11 0.35808202D-11 -0.17507602D-01 0.10107998D-01 -0.17535902D-08 -0.32350316D-08 -0.52223440D-08 -0.67979402D-08 -0.58006947D-08 -0.20028405D-08 0.15720692D-10 0.72456527D-11 -0.20317566D-10 -0.10030477D-10 -0.76907337D-11 -0.38382151D-11 0.30292321D-10 0.23226231D-10 0.11591517D-10 0.28954217D+00 0.22200257D+00 0.11079484D+00 0.29797050D-10 0.22905343D-12 0.28385963D-11 0.18263024D-01 -0.10639336D-10 -0.16228482D-13 -0.10205357D-11 0.33969767D-03 0.33959357D-10 0.35595324D-10 0.25709225D-10 -0.18348119D-11 -0.97669196D-16 0.20216011D-01 -0.10431520D-08 -0.19244118D-08 -0.31065973D-08 -0.40438666D-08 -0.34506387D-08 -0.11914226D-08 -0.92744935D-11 -0.42746056D-11 0.11986440D-10 0.51644669D-10 0.39597856D-10 0.19762106D-10 0.30129767D-10 0.23101595D-10 0.11529315D-10 0.28954205D+00 0.22200248D+00 0.11079479D+00 0.10931400D-10 -0.19232126D-11 -0.11120062D-11 0.18263044D-01 0.90627556D-11 0.50556237D-12 0.23680203D-12 0.33966980D-03 0.22059886D-10 0.23929444D-10 0.12994103D-10 -0.31390568D-11 0.17507602D-01 0.10107998D-01 -0.17600117D-08 -0.32468780D-08 -0.52414678D-08 -0.68228337D-08 -0.58219363D-08 -0.20101747D-08 0.15673245D-10 0.72237844D-11 -0.20256246D-10 0.22070886D-10 0.16922556D-10 0.84455414D-11 -0.23808158D-10 -0.18254586D-10 -0.91103177D-11 0.28954205D+00 0.22200248D+00 0.11079479D+00 0.29884611D-10 0.25717939D-11 -0.12315438D-11 0.18263044D-01 -0.10543303D-10 -0.93123595D-12 0.41581064D-12 0.33966980D-03 0.34555589D-10 0.35285289D-10 0.25792419D-10 -0.22383900D-11 0.17507602D-01 -0.10107998D-01 0.34743892D-11 0.58932218D-11 0.67092247D-11 -0.17311527D-11 0.75897148D-11 0.12873593D-10 0.14656130D-10 0.20490941D-11 0.34281584D-11 0.58148056D-11 0.66199506D-11 -0.17054603D-11 0.77565965D-11 0.13156656D-10 0.14978388D-10 0.10572518D-11 0.37967773D-11 0.64400529D-11 0.73317726D-11 -0.26546581D-11 0.77376953D-11 0.13124596D-10 0.14941888D-10 0.10122472D-11 MO 3 MO 0.0 OCC NO = 2.0000001 ORB. 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ENERGY = 0.000000 0.30837321D+00 0.56888836D+00 0.91836221D+00 0.11954347D+01 0.10200666D+01 0.35220449D+00 -0.10215319D-01 -0.47082314D-02 0.13202372D-01 0.45268582D-05 0.34709078D-05 0.17322262D-05 -0.48821262D-02 -0.37433047D-02 -0.18681714D-02 -0.27905144D-11 -0.21395895D-11 -0.10678051D-11 -0.28897909D-02 -0.61770393D-06 0.11961004D-03 -0.17601812D-12 0.25742908D-02 0.25910178D-06 -0.22785706D-03 -0.32727995D-14 -0.52256447D-02 -0.61499929D-02 -0.58563985D-02 -0.12050811D-05 0.12057631D-15 0.19484779D-12 -0.15497427D+00 -0.28589727D+00 -0.46152684D+00 -0.60077082D+00 -0.51263883D+00 -0.17700187D+00 0.51326587D-02 0.23656377D-02 -0.66334950D-02 0.27946586D-02 0.21427670D-02 0.10693909D-02 0.65915132D-04 0.50539542D-04 0.25222774D-04 -0.27905096D-11 -0.21395858D-11 -0.10678033D-11 0.14525855D-02 -0.14348216D-03 0.12835243D-03 -0.17600738D-12 -0.12936553D-02 0.13752400D-03 -0.91838776D-05 -0.32730501D-14 0.28201125D-02 0.28968640D-02 0.29429666D-02 0.58066428D-03 0.16861954D-12 0.97517181D-13 -0.15341465D+00 -0.28302007D+00 -0.45688215D+00 -0.59472480D+00 -0.50747975D+00 -0.17522056D+00 0.50809973D-02 0.23418270D-02 -0.65667274D-02 0.27755388D-02 0.21281071D-02 0.10620746D-02 -0.49650007D-04 -0.38068476D-04 -0.18998838D-04 -0.27904840D-11 -0.21395661D-11 -0.10677935D-11 0.14379692D-02 -0.14326720D-03 -0.12918978D-03 -0.17601259D-12 -0.12806358D-02 0.13665554D-03 0.99844563D-05 -0.32753863D-14 0.27896553D-02 0.28697876D-02 0.29133479D-02 -0.57721825D-03 0.16872361D-12 -0.97512032D-13 0.30837319D+00 0.56888831D+00 0.91836213D+00 0.11954346D+01 0.10200665D+01 0.35220446D+00 -0.10215319D-01 -0.47082311D-02 0.13202372D-01 -0.45268626D-05 -0.34709111D-05 -0.17322279D-05 0.48821271D-02 0.37433054D-02 0.18681717D-02 -0.27905110D-11 -0.21395868D-11 -0.10678038D-11 -0.28897906D-02 0.61770402D-06 -0.11961003D-03 -0.17601840D-12 0.25742908D-02 -0.25910180D-06 0.22785706D-03 -0.32728697D-14 -0.52256442D-02 -0.61499924D-02 -0.58563981D-02 -0.12050819D-05 -0.53803365D-17 -0.19485783D-12 -0.15497429D+00 -0.28589731D+00 -0.46152690D+00 -0.60077089D+00 -0.51263889D+00 -0.17700189D+00 0.51326591D-02 0.23656379D-02 -0.66334956D-02 -0.27946580D-02 -0.21427665D-02 -0.10693906D-02 -0.65915614D-04 -0.50539912D-04 -0.25222958D-04 -0.27905136D-11 -0.21395888D-11 -0.10678048D-11 0.14525858D-02 0.14348218D-03 -0.12835240D-03 -0.17600589D-12 -0.12936554D-02 -0.13752400D-03 0.91838687D-05 -0.32730236D-14 0.28201129D-02 0.28968643D-02 0.29429669D-02 0.58066422D-03 -0.16867709D-12 -0.97421217D-13 -0.15341463D+00 -0.28302004D+00 -0.45688209D+00 -0.59472473D+00 -0.50747969D+00 -0.17522054D+00 0.50809969D-02 0.23418268D-02 -0.65667268D-02 -0.27755394D-02 -0.21281076D-02 -0.10620748D-02 0.49649518D-04 0.38068101D-04 0.18998651D-04 -0.27904881D-11 -0.21395693D-11 -0.10677950D-11 0.14379689D-02 0.14326718D-03 0.12918981D-03 -0.17601405D-12 -0.12806357D-02 -0.13665553D-03 -0.99844652D-05 -0.32755641D-14 0.27896548D-02 0.28697873D-02 0.29133476D-02 -0.57721831D-03 -0.16878521D-12 0.97401751D-13 -0.80718898D-03 -0.13691453D-02 -0.15587235D-02 -0.34653719D-03 0.40583907D-03 0.68837987D-03 0.78369615D-03 0.17418235D-03 0.40175606D-03 0.68145431D-03 0.77581165D-03 0.17242963D-03 -0.80718898D-03 -0.13691453D-02 -0.15587235D-02 -0.34653725D-03 0.40583909D-03 0.68837991D-03 0.78369620D-03 0.17418234D-03 0.40175604D-03 0.68145428D-03 0.77581161D-03 0.17242964D-03 MO 5 MO 0.0 OCC NO = 2.0000001 ORB. 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ENERGY = 0.000000 0.31034809D+00 0.57253162D+00 0.92424355D+00 0.12030905D+01 0.10265993D+01 0.35446007D+00 -0.66872109D-02 -0.30821294D-02 0.86426125D-02 -0.15709020D-05 -0.12044680D-05 -0.60111395D-06 0.80973548D-02 0.62085381D-02 0.30984956D-02 -0.17322825D-09 -0.13282043D-09 -0.66286705D-10 -0.33606411D-02 0.34275379D-07 0.24113025D-03 -0.10926461D-10 0.60704843D-03 -0.90011093D-08 -0.85547522D-04 -0.20323294D-12 -0.61718603D-02 -0.58482934D-02 -0.53700941D-02 0.28605555D-06 0.38828797D-18 0.12094880D-10 0.15521703D+00 0.28634511D+00 0.46224979D+00 0.60171188D+00 0.51344184D+00 0.17727913D+00 -0.33444687D-02 -0.15414626D-02 0.43224220D-02 0.72858446D-02 0.55863236D-02 0.27879670D-02 -0.45193482D-02 -0.34651495D-02 -0.17293525D-02 -0.17322811D-09 -0.13282032D-09 -0.66286651D-10 -0.16807278D-02 0.21986161D-04 0.20306343D-03 -0.10926469D-10 0.30350009D-03 -0.15399041D-04 -0.58883043D-04 -0.20322001D-12 -0.35612637D-02 -0.24505006D-02 -0.26857874D-02 0.82819774D-03 0.10474507D-10 0.60474383D-11 -0.15512026D+00 -0.28616659D+00 -0.46196161D+00 -0.60133675D+00 -0.51312174D+00 -0.17716860D+00 0.33423832D-02 0.15405014D-02 -0.43197267D-02 -0.72844443D-02 -0.55852499D-02 -0.27874311D-02 -0.45219708D-02 -0.34671604D-02 -0.17303560D-02 -0.17322815D-09 -0.13282036D-09 -0.66286666D-10 0.16796800D-02 -0.21903912D-04 0.20305554D-03 -0.10926473D-10 -0.30331072D-03 0.15371430D-04 -0.58877503D-04 -0.20321572D-12 0.35595388D-02 0.24484775D-02 0.26841129D-02 0.82825346D-03 0.10474521D-10 -0.60474428D-11 -0.31034813D+00 -0.57253169D+00 -0.92424367D+00 -0.12030906D+01 -0.10265994D+01 -0.35446011D+00 0.66872119D-02 0.30821299D-02 -0.86426139D-02 -0.15708781D-05 -0.12044497D-05 -0.60110480D-06 0.80973547D-02 0.62085380D-02 0.30984956D-02 -0.17322831D-09 -0.13282048D-09 -0.66286728D-10 0.33606415D-02 0.34271710D-07 0.24113026D-03 -0.10926459D-10 -0.60704868D-03 -0.89996178D-08 -0.85547545D-04 -0.20323526D-12 0.61718610D-02 0.58482942D-02 0.53700948D-02 -0.28604875D-06 0.10871243D-16 -0.12094914D-10 -0.15521702D+00 -0.28634509D+00 -0.46224976D+00 -0.60171184D+00 -0.51344181D+00 -0.17727912D+00 0.33444681D-02 0.15414623D-02 -0.43224212D-02 0.72858453D-02 0.55863240D-02 0.27879672D-02 -0.45193479D-02 -0.34651494D-02 -0.17293524D-02 -0.17322831D-09 -0.13282048D-09 -0.66286727D-10 0.16807277D-02 0.21986149D-04 0.20306344D-03 -0.10926483D-10 -0.30349993D-03 -0.15399026D-04 -0.58883042D-04 -0.20321711D-12 0.35612636D-02 0.24505004D-02 0.26857872D-02 -0.82819781D-03 -0.10474528D-10 -0.60474501D-11 0.15512026D+00 0.28616659D+00 0.46196161D+00 0.60133675D+00 0.51312174D+00 0.17716861D+00 -0.33423835D-02 -0.15405015D-02 0.43197271D-02 -0.72844438D-02 -0.55852495D-02 -0.27874309D-02 -0.45219709D-02 -0.34671605D-02 -0.17303561D-02 -0.17322829D-09 -0.13282046D-09 -0.66286720D-10 -0.16796799D-02 -0.21903923D-04 0.20305552D-03 -0.10926487D-10 0.30331081D-03 0.15371440D-04 -0.58877499D-04 -0.20322012D-12 -0.35595388D-02 -0.24484775D-02 -0.26841130D-02 -0.82825341D-03 -0.10474507D-10 0.60474466D-11 -0.13212351D-03 -0.22410649D-03 -0.25513731D-03 0.50711628D-03 -0.66063279D-04 -0.11205583D-03 -0.12757160D-03 0.25365417D-03 0.66022076D-04 0.11198594D-03 0.12749203D-03 -0.25349608D-03 0.13212362D-03 0.22410667D-03 0.25513753D-03 -0.50711626D-03 0.66063261D-04 0.11205579D-03 0.12757156D-03 -0.25365420D-03 -0.66022070D-04 -0.11198593D-03 -0.12749202D-03 0.25349606D-03 MO 7 MO 0.0 OCC NO = 2.0000001 ORB. ENERGY = 0.000000 -0.55864375D-04 -0.10305886D-03 -0.16636896D-03 -0.21656295D-03 -0.18479356D-03 -0.63804776D-04 0.12037696D-05 0.55481629D-06 -0.15557628D-05 -0.87264464D-02 -0.66908856D-02 -0.33392209D-02 -0.14577116D-05 -0.11176808D-05 -0.55780104D-06 -0.32691202D-09 -0.25065540D-09 -0.12509461D-09 0.60488489D-06 0.19039281D-03 -0.43394763D-07 -0.20620146D-10 -0.10922286D-06 -0.49997874D-04 0.15395207D-07 -0.38354360D-12 0.11109797D-05 0.10527201D-05 0.96665632D-06 0.15890474D-02 -0.43441138D-17 0.22825201D-10 0.26873824D+00 0.49576957D+00 0.80032581D+00 0.10417864D+01 0.88895823D+00 0.30693591D+00 -0.57906734D-02 -0.26689161D-02 0.74839192D-02 0.38898032D-02 0.29824544D-02 0.14884538D-02 0.72857181D-02 0.55862265D-02 0.27879185D-02 -0.32691193D-09 -0.25065534D-09 -0.12509458D-09 -0.29099950D-02 0.22841478D-03 0.21923365D-04 -0.20620172D-10 0.52559656D-03 -0.76652585D-04 -0.15379807D-04 -0.38350666D-12 -0.47900924D-02 -0.56184818D-02 -0.46501096D-02 -0.15473556D-03 0.19767226D-10 0.11412596D-10 0.26879412D+00 0.49587266D+00 0.80049223D+00 0.10420030D+01 0.88914307D+00 0.30699974D+00 -0.57918776D-02 -0.26694711D-02 0.74854756D-02 0.38924258D-02 0.29844652D-02 0.14894573D-02 -0.72840904D-02 -0.55849785D-02 -0.27872957D-02 -0.32691202D-09 -0.25065540D-09 -0.12509461D-09 -0.29106001D-02 0.22842271D-03 -0.21996492D-04 -0.20620180D-10 0.52570599D-03 -0.76658137D-04 0.15401015D-04 -0.38351256D-12 -0.47913746D-02 -0.56193640D-02 -0.46510765D-02 0.15443742D-03 0.19767235D-10 -0.11412591D-10 0.55864996D-04 0.10306001D-03 0.16637081D-03 0.21656536D-03 0.18479562D-03 0.63805485D-04 -0.12036591D-05 -0.55476539D-06 0.15556201D-05 -0.87264465D-02 -0.66908857D-02 -0.33392209D-02 -0.14577120D-05 -0.11176811D-05 -0.55780121D-06 -0.32691218D-09 -0.25065553D-09 -0.12509468D-09 -0.60492886D-06 0.19039282D-03 -0.43390685D-07 -0.20620158D-10 0.10922135D-06 -0.49997877D-04 0.15395394D-07 -0.38353789D-12 -0.11109986D-05 -0.10527361D-05 -0.96664524D-06 -0.15890474D-02 -0.46084121D-17 -0.22825200D-10 -0.26873825D+00 -0.49576959D+00 -0.80032584D+00 -0.10417864D+01 -0.88895826D+00 -0.30693592D+00 0.57906738D-02 0.26689163D-02 -0.74839198D-02 0.38898031D-02 0.29824543D-02 0.14884537D-02 0.72857180D-02 0.55862265D-02 0.27879185D-02 -0.32691199D-09 -0.25065538D-09 -0.12509460D-09 0.29099951D-02 0.22841479D-03 0.21923373D-04 -0.20620175D-10 -0.52559664D-03 -0.76652590D-04 -0.15379811D-04 -0.38351284D-12 0.47900926D-02 0.56184820D-02 0.46501098D-02 0.15473558D-03 -0.19767235D-10 -0.11412582D-10 -0.26879411D+00 -0.49587264D+00 -0.80049220D+00 -0.10420030D+01 -0.88914304D+00 -0.30699972D+00 0.57918774D-02 0.26694710D-02 -0.74854753D-02 0.38924259D-02 0.29844653D-02 0.14894574D-02 -0.72840905D-02 -0.55849786D-02 -0.27872957D-02 -0.32691190D-09 -0.25065531D-09 -0.12509457D-09 0.29106000D-02 0.22842271D-03 -0.21996489D-04 -0.20620171D-10 -0.52570591D-03 -0.76658132D-04 0.15401010D-04 -0.38350624D-12 0.47913744D-02 0.56193638D-02 0.46510764D-02 -0.15443740D-03 -0.19767229D-10 0.11412597D-10 0.23759867D-07 0.40301232D-07 0.45881528D-07 -0.91300476D-07 -0.11441569D-03 -0.19407067D-03 -0.22094260D-03 0.43912239D-03 -0.11443952D-03 -0.19411108D-03 -0.22098861D-03 0.43921366D-03 -0.23785889D-07 -0.40345369D-07 -0.45931777D-07 0.91295162D-07 0.11441569D-03 0.19407067D-03 0.22094260D-03 -0.43912239D-03 0.11443947D-03 0.19411099D-03 0.22098851D-03 -0.43921368D-03 MO 8 MO 0.0 OCC NO = 2.0000001 ORB. ENERGY = 0.000000 0.22195558D+00 0.40946470D+00 0.66100298D+00 0.86042948D+00 0.73420603D+00 0.25350370D+00 0.90217036D-03 0.41580950D-03 -0.11659732D-02 0.34044322D-10 0.26103026D-10 0.13027240D-10 0.75215634D-02 0.57670578D-02 0.28781660D-02 0.14311102D-08 0.10972845D-08 0.54762188D-09 -0.35328886D-02 -0.28176305D-11 0.61458975D-05 0.90268023D-10 0.26847233D-04 0.11448396D-11 -0.29643555D-04 0.16790092D-11 -0.47503965D-02 -0.45983427D-02 -0.28185120D-02 -0.76936555D-11 -0.26158808D-17 -0.99920974D-10 0.22194502D+00 0.40944523D+00 0.66097155D+00 0.86038856D+00 0.73417112D+00 0.25349164D+00 0.90253187D-03 0.41597612D-03 -0.11664404D-02 0.65139614D-02 0.49944924D-02 0.24926017D-02 0.37607862D-02 0.28835323D-02 0.14390847D-02 0.14311096D-08 0.10972840D-08 0.54762164D-09 -0.35327944D-02 0.53136491D-05 0.30714019D-05 0.90268122D-10 0.26750972D-04 -0.25663905D-04 -0.14819321D-04 0.16788727D-11 -0.46361624D-02 -0.47121907D-02 -0.28183113D-02 0.13170426D-03 -0.86534209D-10 -0.49960450D-10 0.22194502D+00 0.40944522D+00 0.66097153D+00 0.86038854D+00 0.73417110D+00 0.25349164D+00 0.90253195D-03 0.41597615D-03 -0.11664405D-02 0.65139610D-02 0.49944922D-02 0.24926016D-02 -0.37607864D-02 -0.28835324D-02 -0.14390848D-02 0.14311095D-08 0.10972840D-08 0.54762163D-09 -0.35327943D-02 0.53136289D-05 -0.30713847D-05 0.90268122D-10 0.26750921D-04 -0.25663902D-04 0.14819318D-04 0.16788727D-11 -0.46361622D-02 -0.47121907D-02 -0.28183112D-02 -0.13170423D-03 -0.86534204D-10 0.49960438D-10 0.22195557D+00 0.40946468D+00 0.66100295D+00 0.86042944D+00 0.73420600D+00 0.25350369D+00 0.90217052D-03 0.41580957D-03 -0.11659734D-02 -0.36241789D-11 -0.27787905D-11 -0.13868112D-11 -0.75215630D-02 -0.57670574D-02 -0.28781658D-02 0.14311102D-08 0.10972845D-08 0.54762187D-09 -0.35328885D-02 0.21678276D-11 -0.61459102D-05 0.90268025D-10 0.26847297D-04 -0.97049248D-12 0.29643558D-04 0.16790123D-11 -0.47503963D-02 -0.45983426D-02 -0.28185119D-02 -0.21664308D-11 0.33733034D-17 0.99920954D-10 0.22194501D+00 0.40944521D+00 0.66097152D+00 0.86038852D+00 0.73417109D+00 0.25349163D+00 0.90253214D-03 0.41597624D-03 -0.11664408D-02 -0.65139611D-02 -0.49944922D-02 -0.24926017D-02 -0.37607865D-02 -0.28835325D-02 -0.14390848D-02 0.14311095D-08 0.10972840D-08 0.54762163D-09 -0.35327943D-02 -0.53136288D-05 -0.30713814D-05 0.90268123D-10 0.26750870D-04 0.25663899D-04 0.14819315D-04 0.16788709D-11 -0.46361621D-02 -0.47121906D-02 -0.28183111D-02 0.13170424D-03 0.86534206D-10 0.49960435D-10 0.22194503D+00 0.40944524D+00 0.66097157D+00 0.86038859D+00 0.73417114D+00 0.25349165D+00 0.90253164D-03 0.41597601D-03 -0.11664402D-02 -0.65139613D-02 -0.49944924D-02 -0.24926017D-02 0.37607861D-02 0.28835323D-02 0.14390847D-02 0.14311096D-08 0.10972840D-08 0.54762164D-09 -0.35327945D-02 -0.53136508D-05 0.30714053D-05 0.90268119D-10 0.26751026D-04 0.25663909D-04 -0.14819325D-04 0.16788745D-11 -0.46361625D-02 -0.47121909D-02 -0.28183114D-02 -0.13170424D-03 0.86534206D-10 -0.49960451D-10 -0.11882571D-02 -0.20155090D-02 -0.22945858D-02 0.53904070D-04 -0.11882419D-02 -0.20154832D-02 -0.22945564D-02 0.53908416D-04 -0.11882419D-02 -0.20154832D-02 -0.22945564D-02 0.53908413D-04 -0.11882571D-02 -0.20155090D-02 -0.22945858D-02 0.53904033D-04 -0.11882419D-02 -0.20154832D-02 -0.22945563D-02 0.53908422D-04 -0.11882419D-02 -0.20154832D-02 -0.22945564D-02 0.53908411D-04 MO 9 MO 0.0 OCC NO = 1.9999733 ORB. ENERGY = 0.000000 -0.53553636D-01 -0.98796001D-01 -0.15948738D+00 -0.20760518D+00 -0.17714988D+00 -0.61165595D-01 -0.10171363D+00 -0.46879717D-01 0.13145562D+00 0.30028299D-07 0.23023795D-07 0.11490487D-07 -0.21250872D+00 -0.16293821D+00 -0.81317584D-01 0.96575556D-13 0.74048011D-13 0.36955147D-13 0.40099023D-01 0.17133801D-09 -0.59108590D-02 0.60851197D-14 -0.23608424D-03 -0.28599601D-10 0.17962998D-03 0.11894919D-15 0.34995689D-02 -0.44013448D-02 -0.13549601D-01 -0.51158963D-08 -0.18210760D-15 -0.67620168D-14 -0.26776744D-01 -0.49397865D-01 -0.79743471D-01 -0.10380230D+00 -0.88574695D-01 -0.30582713D-01 -0.50856938D-01 -0.23439916D-01 0.65727972D-01 -0.17123179D+00 -0.13128968D+00 -0.65522751D-01 0.84074339D-01 0.64462870D-01 0.32171490D-01 0.95153496D-13 0.72957665D-13 0.36410988D-13 0.20049611D-01 -0.30113459D-02 -0.69503712D-03 0.59876403D-14 -0.11777896D-03 0.15327093D-03 -0.85884034D-04 0.96945258D-16 0.10474581D-01 -0.10925479D-01 -0.67748189D-02 -0.16916836D-01 -0.58573810D-14 -0.33102344D-14 0.26776729D-01 0.49397837D-01 0.79743425D-01 0.10380225D+00 0.88574644D-01 0.30582696D-01 0.50856909D-01 0.23439903D-01 -0.65727934D-01 0.17123176D+00 0.13128965D+00 0.65522736D-01 0.84074395D-01 0.64462913D-01 0.32171512D-01 0.95588718D-13 0.73291366D-13 0.36577528D-13 -0.20049600D-01 0.30113445D-02 -0.69503613D-03 0.60070553D-14 0.11777890D-03 -0.15327090D-03 -0.85884084D-04 0.11528218D-15 -0.10474584D-01 0.10925481D-01 0.67748151D-02 -0.16916837D-01 -0.58933597D-14 0.32781760D-14 0.53553636D-01 0.98796001D-01 0.15948738D+00 0.20760518D+00 0.17714988D+00 0.61165595D-01 0.10171363D+00 0.46879717D-01 -0.13145562D+00 0.30025809D-07 0.23021886D-07 0.11489535D-07 -0.21250872D+00 -0.16293821D+00 -0.81317584D-01 0.97404159D-13 0.74683331D-13 0.37272216D-13 -0.40099023D-01 0.17122720D-09 -0.59108590D-02 0.61514393D-14 0.23608424D-03 -0.28647573D-10 0.17962998D-03 0.10934009D-15 -0.34995689D-02 0.44013448D-02 0.13549601D-01 0.51157286D-08 -0.16993630D-15 0.67895486D-14 0.26776744D-01 0.49397865D-01 0.79743470D-01 0.10380230D+00 0.88574695D-01 0.30582713D-01 0.50856938D-01 0.23439916D-01 -0.65727972D-01 -0.17123179D+00 -0.13128968D+00 -0.65522751D-01 0.84074339D-01 0.64462870D-01 0.32171490D-01 0.98794930D-13 0.75749686D-13 0.37804402D-13 -0.20049611D-01 -0.30113459D-02 -0.69503712D-03 0.62475961D-14 0.11777896D-03 0.15327093D-03 -0.85884034D-04 0.12718861D-15 -0.10474581D-01 0.10925479D-01 0.67748189D-02 0.16916836D-01 0.58533134D-14 0.34612009D-14 -0.26776729D-01 -0.49397837D-01 -0.79743425D-01 -0.10380225D+00 -0.88574644D-01 -0.30582696D-01 -0.50856909D-01 -0.23439903D-01 0.65727934D-01 0.17123176D+00 0.13128965D+00 0.65522736D-01 0.84074395D-01 0.64462913D-01 0.32171512D-01 0.98373069D-13 0.75426230D-13 0.37642975D-13 0.20049600D-01 0.30113445D-02 -0.69503613D-03 0.62220085D-14 -0.11777890D-03 -0.15327090D-03 -0.85884084D-04 0.11483044D-15 0.10474584D-01 -0.10925481D-01 -0.67748151D-02 0.16916837D-01 0.58295852D-14 -0.34940635D-14 -0.17467402D-02 -0.29628019D-02 -0.33730453D-02 -0.98950768D-02 -0.87329197D-03 -0.14812685D-02 -0.16863718D-02 -0.49475013D-02 0.87329147D-03 0.14812676D-02 0.16863708D-02 0.49474985D-02 0.17467402D-02 0.29628019D-02 0.33730453D-02 0.98950768D-02 0.87329197D-03 0.14812685D-02 0.16863718D-02 0.49475013D-02 -0.87329147D-03 -0.14812676D-02 -0.16863708D-02 -0.49474985D-02 MO 10 MO 0.0 OCC NO = 1.9999733 ORB. ENERGY = 0.000000 0.87892550D-08 0.16214459D-07 0.26175165D-07 0.34072287D-07 0.29073944D-07 0.10038534D-07 0.16695115D-07 0.76947634D-08 -0.21576920D-07 0.18293253D+00 0.14026106D+00 0.70000102D-01 0.34878534D-07 0.26742648D-07 0.13346456D-07 0.19769811D-13 0.15158237D-13 0.75650225D-14 -0.65818692D-08 0.10435170D-02 0.97010013D-09 0.11589130D-14 0.38781893D-10 -0.17436842D-03 -0.29491077D-10 0.16644355D-15 -0.57434651D-09 0.72243818D-09 0.22239819D-08 -0.31166762D-01 -0.28079797D-16 -0.14137598D-14 -0.46379286D-01 -0.85560726D-01 -0.13812154D+00 -0.17979321D+00 -0.15341787D+00 -0.52971503D-01 -0.88086967D-01 -0.40599202D-01 0.11384440D+00 -0.11364300D+00 -0.87134242D-01 -0.43486094D-01 -0.17123182D+00 -0.13128970D+00 -0.65522762D-01 0.21015595D-13 0.16113425D-13 0.80417286D-14 0.34726883D-01 -0.41720464D-02 -0.30113509D-02 0.13727963D-14 -0.20434490D-03 0.91127573D-04 0.15327688D-03 -0.12370875D-15 -0.88487952D-02 0.80679659D-02 -0.11734366D-01 0.18662165D-02 -0.12422029D-14 -0.95890803D-15 -0.46379295D-01 -0.85560742D-01 -0.13812157D+00 -0.17979324D+00 -0.15341790D+00 -0.52971513D-01 -0.88086983D-01 -0.40599210D-01 0.11384442D+00 -0.11364305D+00 -0.87134286D-01 -0.43486115D-01 0.17123180D+00 0.13128968D+00 0.65522752D-01 0.23077319D-13 0.17694224D-13 0.88306580D-14 0.34726890D-01 -0.41720474D-02 0.30113512D-02 0.14203653D-14 -0.20434494D-03 0.91127623D-04 -0.15327685D-03 0.17769832D-15 -0.88487918D-02 0.80679623D-02 -0.11734368D-01 -0.18662109D-02 -0.13747931D-14 0.65480450D-15 -0.87901111D-08 -0.16216039D-07 -0.26177714D-07 -0.34075606D-07 -0.29076776D-07 -0.10039512D-07 -0.16696383D-07 -0.76953475D-08 0.21578558D-07 0.18293253D+00 0.14026106D+00 0.70000102D-01 0.34883823D-07 0.26746703D-07 0.13348479D-07 0.23551140D-13 0.18057520D-13 0.90119681D-14 0.65821939D-08 0.10435170D-02 0.97028304D-09 0.15671900D-14 -0.38787032D-10 -0.17436842D-03 -0.29489361D-10 -0.11602368D-15 0.57439636D-09 -0.72241630D-09 -0.22242262D-08 0.31166762D-01 0.73797059D-16 0.15665711D-14 0.46379286D-01 0.85560726D-01 0.13812154D+00 0.17979321D+00 0.15341787D+00 0.52971503D-01 0.88086967D-01 0.40599202D-01 -0.11384440D+00 -0.11364300D+00 -0.87134242D-01 -0.43486094D-01 -0.17123182D+00 -0.13128970D+00 -0.65522762D-01 0.22331880D-13 0.17122669D-13 0.85454120D-14 -0.34726883D-01 -0.41720464D-02 -0.30113509D-02 0.13704209D-14 0.20434490D-03 0.91127573D-04 0.15327688D-03 0.17387571D-15 0.88487952D-02 -0.80679659D-02 0.11734366D-01 -0.18662165D-02 0.13861855D-14 0.72120149D-15 0.46379295D-01 0.85560742D-01 0.13812157D+00 0.17979324D+00 0.15341790D+00 0.52971513D-01 0.88086983D-01 0.40599210D-01 -0.11384442D+00 -0.11364305D+00 -0.87134286D-01 -0.43486115D-01 0.17123180D+00 0.13128968D+00 0.65522752D-01 0.20317850D-13 0.15578439D-13 0.77747328D-14 -0.34726890D-01 -0.41720474D-02 0.30113512D-02 0.13069571D-14 0.20434494D-03 0.91127623D-04 -0.15327685D-03 -0.12535747D-15 0.88487918D-02 -0.80679623D-02 0.11734368D-01 0.18662109D-02 0.12353117D-14 -0.83094270D-15 0.28651107D-09 0.48597699D-09 0.55326763D-09 0.16240773D-08 -0.15122101D-02 -0.25649946D-02 -0.29201557D-02 -0.85691054D-02 -0.15122104D-02 -0.25649951D-02 -0.29201562D-02 -0.85691070D-02 -0.28672464D-09 -0.48633925D-09 -0.55368005D-09 -0.16242388D-08 0.15122101D-02 0.25649946D-02 0.29201557D-02 0.85691054D-02 0.15122104D-02 0.25649951D-02 0.29201562D-02 0.85691070D-02 MO 11 MO 0.0 OCC NO = 1.9999575 ORB. ENERGY = 0.000000 0.55343183D-02 0.10209737D-01 0.16481681D-01 0.21454251D-01 0.18306951D-01 0.63209503D-02 0.18060655D-01 0.83241394D-02 -0.23341756D-01 0.16008017D-11 0.12273932D-11 0.61255522D-12 0.26999575D+00 0.20701562D+00 0.10331530D+00 0.56946960D-13 0.43663317D-13 0.21791055D-13 -0.14697980D-02 0.75427571D-14 0.10767665D-01 0.35921829D-14 0.43609893D-03 0.15903522D-13 0.85934865D-04 0.69762145D-16 0.30813931D-02 -0.13409308D-02 0.46860187D-02 -0.26794528D-12 0.56154837D-16 -0.39703384D-14 0.55345538D-02 0.10210171D-01 0.16482382D-01 0.21455164D-01 0.18307730D-01 0.63212192D-02 0.18061376D-01 0.83244715D-02 -0.23342687D-01 0.23382210D+00 0.17927996D+00 0.89473264D-01 0.13499913D+00 0.10350877D+00 0.51658131D-01 0.56985604D-13 0.43692946D-13 0.21805843D-13 -0.14700469D-02 0.93249816D-02 0.53838380D-02 0.35730346D-14 0.43594583D-03 0.74432661D-04 0.42971726D-04 0.90180351D-16 -0.23529392D-03 0.19757922D-02 0.46860848D-02 -0.38299206D-02 -0.34593708D-14 -0.19610575D-14 0.55345538D-02 0.10210171D-01 0.16482382D-01 0.21455164D-01 0.18307730D-01 0.63212192D-02 0.18061376D-01 0.83244715D-02 -0.23342687D-01 0.23382210D+00 0.17927996D+00 0.89473264D-01 -0.13499913D+00 -0.10350877D+00 -0.51658131D-01 0.56943396D-13 0.43660584D-13 0.21789692D-13 -0.14700469D-02 0.93249816D-02 -0.53838380D-02 0.36111402D-14 0.43594583D-03 0.74432660D-04 -0.42971726D-04 0.42954874D-16 -0.23529392D-03 0.19757922D-02 0.46860848D-02 0.38299206D-02 -0.34462763D-14 0.20015963D-14 0.55343183D-02 0.10209737D-01 0.16481681D-01 0.21454251D-01 0.18306951D-01 0.63209503D-02 0.18060655D-01 0.83241394D-02 -0.23341756D-01 0.19620872D-11 0.15044040D-11 0.75080303D-12 -0.26999575D+00 -0.20701562D+00 -0.10331530D+00 0.56995031D-13 0.43700175D-13 0.21809450D-13 -0.14697980D-02 0.23463556D-13 -0.10767665D-01 0.35968303D-14 0.43609893D-03 -0.16104430D-13 -0.85934865D-04 0.65304288D-16 0.30813931D-02 -0.13409308D-02 0.46860187D-02 0.29423104D-12 -0.50085457D-16 0.39948983D-14 0.55345538D-02 0.10210171D-01 0.16482382D-01 0.21455164D-01 0.18307730D-01 0.63212192D-02 0.18061376D-01 0.83244715D-02 -0.23342687D-01 -0.23382210D+00 -0.17927996D+00 -0.89473264D-01 -0.13499913D+00 -0.10350877D+00 -0.51658131D-01 0.57013728D-13 0.43714511D-13 0.21816605D-13 -0.14700469D-02 -0.93249816D-02 -0.53838380D-02 0.35716482D-14 0.43594583D-03 -0.74432661D-04 -0.42971726D-04 0.94332275D-16 -0.23529392D-03 0.19757922D-02 0.46860848D-02 -0.38299206D-02 0.34698417D-14 0.19769164D-14 0.55345538D-02 0.10210171D-01 0.16482382D-01 0.21455164D-01 0.18307730D-01 0.63212192D-02 0.18061376D-01 0.83244715D-02 -0.23342687D-01 -0.23382210D+00 -0.17927996D+00 -0.89473264D-01 0.13499913D+00 0.10350877D+00 0.51658131D-01 0.56917554D-13 0.43640770D-13 0.21779803D-13 -0.14700469D-02 -0.93249816D-02 0.53838380D-02 0.36067381D-14 0.43594583D-03 -0.74432660D-04 0.42971726D-04 0.38656589D-16 -0.23529392D-03 0.19757922D-02 0.46860848D-02 0.38299206D-02 0.34421934D-14 -0.19844908D-14 0.19072873D-01 0.32351202D-01 0.36830700D-01 0.87030318D-02 0.19072731D-01 0.32350962D-01 0.36830427D-01 0.87030721D-02 0.19072731D-01 0.32350962D-01 0.36830427D-01 0.87030721D-02 0.19072873D-01 0.32351202D-01 0.36830700D-01 0.87030318D-02 0.19072731D-01 0.32350962D-01 0.36830427D-01 0.87030721D-02 0.19072731D-01 0.32350962D-01 0.36830427D-01 0.87030721D-02 MO 12 MO 0.0 OCC NO = 1.9998998 ORB. ENERGY = 0.000000 0.93789141D-02 0.17302265D-01 0.27931221D-01 0.36358150D-01 0.31024476D-01 0.10712006D-01 0.17441325D-01 0.80386906D-02 -0.22541328D-01 0.40551182D-07 0.31092074D-07 0.15517124D-07 -0.30904846D+00 -0.23695876D+00 -0.11825903D+00 -0.47782796D-13 -0.36636817D-13 -0.18284339D-13 -0.14231832D-01 0.20212410D-08 -0.11038203D-01 -0.30086232D-14 0.11294117D-01 0.24229859D-10 -0.19576637D-02 -0.57655558D-16 0.18167080D-01 -0.25270010D-01 0.37557935D-02 -0.26956363D-08 0.39304090D-17 0.33042558D-14 -0.46893314D-02 -0.86509008D-02 -0.13965236D-01 -0.18178588D-01 -0.15511822D-01 -0.53558594D-02 -0.87204666D-02 -0.40192551D-02 0.11270411D-01 0.23569316D-01 0.18071457D-01 0.90189235D-02 0.26822541D+00 0.20565823D+00 0.10263787D+00 -0.47605391D-13 -0.36500794D-13 -0.18216455D-13 0.71158373D-02 -0.71576141D-03 0.12277942D-01 -0.30042808D-14 -0.56470579D-02 0.78184618D-03 0.60346160D-03 -0.62676741D-16 0.13552520D-01 -0.10001065D-01 -0.18778563D-02 0.11479721D-01 0.28865855D-14 0.16394060D-14 -0.46893340D-02 -0.86509055D-02 -0.13965244D-01 -0.18178598D-01 -0.15511831D-01 -0.53558624D-02 -0.87204714D-02 -0.40192573D-02 0.11270417D-01 0.23569410D-01 0.18071529D-01 0.90189595D-02 -0.26822542D+00 -0.20565824D+00 -0.10263787D+00 -0.47205282D-13 -0.36194016D-13 -0.18063351D-13 0.71158412D-02 -0.71575776D-03 -0.12277942D-01 -0.29825190D-14 -0.56470610D-02 0.78184666D-03 -0.60346185D-03 -0.47064622D-16 0.13552523D-01 -0.10001066D-01 -0.18778574D-02 -0.11479733D-01 0.28871338D-14 -0.16644474D-14 0.93789141D-02 0.17302265D-01 0.27931221D-01 0.36358150D-01 0.31024476D-01 0.10712006D-01 0.17441325D-01 0.80386906D-02 -0.22541328D-01 -0.40551634D-07 -0.31092421D-07 -0.15517297D-07 0.30904846D+00 0.23695876D+00 0.11825903D+00 -0.47013537D-13 -0.36046998D-13 -0.17989978D-13 -0.14231832D-01 -0.20212499D-08 0.11038203D-01 -0.29563363D-14 0.11294117D-01 -0.24231106D-10 0.19576637D-02 -0.57483162D-16 0.18167080D-01 -0.25270010D-01 0.37557935D-02 -0.26956879D-08 -0.19173992D-17 -0.32550619D-14 -0.46893314D-02 -0.86509008D-02 -0.13965236D-01 -0.18178588D-01 -0.15511822D-01 -0.53558594D-02 -0.87204666D-02 -0.40192551D-02 0.11270411D-01 -0.23569316D-01 -0.18071457D-01 -0.90189235D-02 -0.26822541D+00 -0.20565823D+00 -0.10263787D+00 -0.47207560D-13 -0.36195763D-13 -0.18064222D-13 0.71158373D-02 0.71576140D-03 -0.12277942D-01 -0.29725843D-14 -0.56470579D-02 -0.78184618D-03 -0.60346160D-03 -0.59552277D-16 0.13552520D-01 -0.10001065D-01 -0.18778563D-02 0.11479721D-01 -0.28488690D-14 -0.16514431D-14 -0.46893340D-02 -0.86509055D-02 -0.13965244D-01 -0.18178598D-01 -0.15511831D-01 -0.53558624D-02 -0.87204714D-02 -0.40192573D-02 0.11270417D-01 -0.23569410D-01 -0.18071529D-01 -0.90189595D-02 0.26822542D+00 0.20565824D+00 0.10263787D+00 -0.47613060D-13 -0.36506675D-13 -0.18219389D-13 0.71158412D-02 0.71575776D-03 0.12277942D-01 -0.30154060D-14 -0.56470610D-02 -0.78184666D-03 0.60346185D-03 -0.49520231D-16 0.13552523D-01 -0.10001066D-01 -0.18778574D-02 -0.11479733D-01 -0.29266246D-14 0.16466585D-14 -0.42168604D-01 -0.71525934D-01 -0.81429747D-01 -0.31683690D-01 0.21084269D-01 0.35762910D-01 0.40714809D-01 0.15841852D-01 0.21084280D-01 0.35762930D-01 0.40714832D-01 0.15841860D-01 -0.42168604D-01 -0.71525934D-01 -0.81429747D-01 -0.31683690D-01 0.21084269D-01 0.35762910D-01 0.40714809D-01 0.15841852D-01 0.21084280D-01 0.35762930D-01 0.40714832D-01 0.15841860D-01 MO 13 MO 0.0 OCC NO = 1.9998998 ORB. 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ENERGY = 0.000000 0.25412415D-01 0.46880943D-01 0.75680378D-01 0.98513365D-01 0.84061633D-01 0.29024462D-01 0.49482345D-01 0.22806368D-01 -0.63951436D-01 0.31843687D-10 0.24415720D-10 0.12185155D-10 -0.17407840D+00 -0.13347227D+00 -0.66612019D-01 0.26969815D-13 0.20678743D-13 0.10320142D-13 -0.28780967D-01 0.15904333D-11 -0.83426119D-02 0.17204342D-14 0.95182220D-02 0.25082542D-13 -0.11949089D-02 0.16540026D-16 0.17638157D-01 -0.13595353D-01 0.49966660D-02 -0.21072050D-11 0.40411393D-16 -0.17967935D-14 -0.25411810D-01 -0.46879828D-01 -0.75678578D-01 -0.98511023D-01 -0.84059634D-01 -0.29023772D-01 -0.49481475D-01 -0.22805966D-01 0.63950311D-01 0.15075070D+00 0.11558607D+00 0.57685552D-01 0.87036034D-01 0.66733711D-01 0.33304799D-01 0.27137119D-13 0.20807022D-13 0.10384162D-13 0.28780740D-01 0.72246705D-02 0.41711347D-02 0.17235571D-14 -0.95180273D-02 0.10348206D-02 0.59742802D-03 0.50611822D-16 0.57868658D-02 -0.98298663D-02 -0.49965100D-02 0.27048740D-01 -0.16153659D-14 -0.88646295D-15 0.25411810D-01 0.46879828D-01 0.75678578D-01 0.98511023D-01 0.84059634D-01 0.29023772D-01 0.49481475D-01 0.22805966D-01 -0.63950311D-01 -0.15075070D+00 -0.11558607D+00 -0.57685552D-01 0.87036034D-01 0.66733711D-01 0.33304799D-01 0.26018437D-13 0.19949288D-13 0.99560926D-14 -0.28780740D-01 -0.72246705D-02 0.41711347D-02 0.16521786D-14 0.95180273D-02 -0.10348206D-02 0.59742802D-03 0.16804681D-16 -0.57868658D-02 0.98298663D-02 0.49965100D-02 0.27048740D-01 -0.15470532D-14 0.10309234D-14 -0.25412415D-01 -0.46880943D-01 -0.75680378D-01 -0.98513365D-01 -0.84061633D-01 -0.29024462D-01 -0.49482345D-01 -0.22806368D-01 0.63951436D-01 -0.32683122D-10 -0.25059345D-10 -0.12506369D-10 -0.17407840D+00 -0.13347227D+00 -0.66612019D-01 0.24784542D-13 0.19003215D-13 0.94839359D-14 0.28780967D-01 -0.16179625D-11 -0.83426119D-02 0.15359505D-14 -0.95182220D-02 -0.21267451D-13 -0.11949089D-02 0.40497513D-16 -0.17638157D-01 0.13595353D-01 -0.49966660D-02 -0.21800558D-11 0.78975912D-16 0.17350555D-14 0.25411810D-01 0.46879828D-01 0.75678578D-01 0.98511023D-01 0.84059634D-01 0.29023772D-01 0.49481475D-01 0.22805966D-01 -0.63950311D-01 0.15075070D+00 0.11558607D+00 0.57685552D-01 0.87036034D-01 0.66733711D-01 0.33304799D-01 0.24656279D-13 0.18904871D-13 0.94348556D-14 -0.28780740D-01 0.72246705D-02 0.41711347D-02 0.15482817D-14 0.95180273D-02 0.10348206D-02 0.59742802D-03 0.93688621D-17 -0.57868658D-02 0.98298663D-02 0.49965100D-02 -0.27048740D-01 0.15159825D-14 0.95813203D-15 -0.25411810D-01 -0.46879828D-01 -0.75678578D-01 -0.98511023D-01 -0.84059634D-01 -0.29023772D-01 -0.49481475D-01 -0.22805966D-01 0.63950311D-01 -0.15075070D+00 -0.11558607D+00 -0.57685552D-01 0.87036034D-01 0.66733711D-01 0.33304799D-01 0.25788746D-13 0.19773174D-13 0.98681999D-14 0.28780740D-01 -0.72246705D-02 0.41711347D-02 0.16189630D-14 -0.95180273D-02 -0.10348206D-02 0.59742802D-03 0.48511593D-16 0.57868658D-02 -0.98298663D-02 -0.49965100D-02 -0.27048740D-01 0.16502152D-14 -0.80886988D-15 -0.30122765D-01 -0.51093911D-01 -0.58168612D-01 -0.15092441D-01 0.30121963D-01 0.51092551D-01 0.58167063D-01 0.15092028D-01 -0.30121963D-01 -0.51092550D-01 -0.58167063D-01 -0.15092028D-01 0.30122765D-01 0.51093911D-01 0.58168612D-01 0.15092441D-01 -0.30121963D-01 -0.51092551D-01 -0.58167063D-01 -0.15092028D-01 0.30121963D-01 0.51092551D-01 0.58167063D-01 0.15092028D-01 MO 15 MO 0.0 OCC NO = 1.9998418 ORB. 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ENERGY = 0.000000 0.14613563D-07 0.26959170D-07 0.43520459D-07 0.56650707D-07 0.48340151D-07 0.16690692D-07 0.11523467D-06 0.53111553D-07 -0.14893034D-06 0.16948083D-01 0.12994715D-01 0.64852736D-02 0.32192328D-06 0.24683035D-06 0.12318565D-06 -0.69749854D-12 -0.53479764D-12 -0.26690150D-12 0.68154323D-07 0.32970757D-01 0.42354341D-08 -0.66001193D-13 0.36715123D-06 -0.37386051D-01 -0.74117118D-07 0.30471362D-13 0.25388733D-06 -0.16576046D-06 -0.74508040D-07 0.71849211D+00 -0.23586338D-13 -0.62791278D-12 -0.10241642D-01 -0.18893829D-01 -0.30500498D-01 -0.39702586D-01 -0.33878289D-01 -0.11697359D-01 -0.80739517D-01 -0.37212769D-01 0.10434849D+00 -0.19953661D+00 -0.15299202D+00 -0.76353740D-01 -0.10541759D+00 -0.80827521D-01 -0.40338598D-01 -0.79802127D-12 -0.61187210D-12 -0.30536706D-12 -0.47748139D-01 -0.10810790D-01 0.12796032D-01 -0.66398055D-14 -0.25799459D+00 0.54359699D-01 0.98074992D-02 0.52399358D-13 -0.11297890D+00 0.51123322D-01 0.52184891D-01 0.43426304D+00 -0.17740714D-11 -0.62402348D-12 0.10241627D-01 0.18893802D-01 0.30500455D-01 0.39702529D-01 0.33878240D-01 0.11697342D-01 0.80739402D-01 0.37212716D-01 -0.10434834D+00 0.19953635D+00 0.15299182D+00 0.76353640D-01 -0.10541740D+00 -0.80827374D-01 -0.40338524D-01 -0.65902324D-12 -0.50529722D-12 -0.25217873D-12 0.47748071D-01 0.10810822D-01 0.12796095D-01 0.65194023D-13 0.25799422D+00 -0.54359675D-01 0.98073928D-02 -0.49321201D-13 0.11297962D+00 -0.51124138D-01 -0.52184816D-01 0.43426345D+00 -0.11535400D-11 0.37784688D-12 0.14625104D-07 0.26980461D-07 0.43554829D-07 0.56695446D-07 0.48378327D-07 0.16703874D-07 0.11525577D-06 0.53121280D-07 -0.14895761D-06 -0.16948083D-01 -0.12994715D-01 -0.64852735D-02 -0.32186394D-06 -0.24678485D-06 -0.12316294D-06 -0.57808108D-12 -0.44323591D-12 -0.22120578D-12 0.68146352D-07 -0.32970757D-01 -0.42297021D-08 -0.66925449D-13 0.36939241D-06 0.37386051D-01 0.74282711D-07 0.27621513D-13 0.25411217D-06 -0.16564975D-06 -0.74468678D-07 0.71849211D+00 0.50813317D-12 0.71227645D-13 -0.10241642D-01 -0.18893829D-01 -0.30500498D-01 -0.39702586D-01 -0.33878289D-01 -0.11697359D-01 -0.80739517D-01 -0.37212769D-01 0.10434849D+00 0.19953661D+00 0.15299202D+00 0.76353740D-01 0.10541759D+00 0.80827521D-01 0.40338598D-01 -0.74865105D-12 -0.57401814D-12 -0.28647528D-12 -0.47748139D-01 0.10810790D-01 -0.12796032D-01 -0.24528435D-14 -0.25799459D+00 -0.54359699D-01 -0.98074993D-02 0.52195984D-13 -0.11297890D+00 0.51123322D-01 0.52184891D-01 0.43426304D+00 0.14524958D-11 0.66574655D-12 0.10241627D-01 0.18893802D-01 0.30500455D-01 0.39702529D-01 0.33878240D-01 0.11697342D-01 0.80739401D-01 0.37212716D-01 -0.10434834D+00 -0.19953635D+00 -0.15299182D+00 -0.76353640D-01 0.10541740D+00 0.80827374D-01 0.40338524D-01 -0.72872715D-12 -0.55874176D-12 -0.27885130D-12 0.47748071D-01 -0.10810822D-01 -0.12796095D-01 0.70529139D-13 0.25799422D+00 0.54359675D-01 -0.98073928D-02 -0.47136376D-13 0.11297962D+00 -0.51124138D-01 -0.52184816D-01 0.43426345D+00 0.14725673D-11 -0.42371386D-12 -0.11086502D-07 -0.18804805D-07 -0.21408606D-07 -0.80363816D-07 0.77677266D-02 0.13175535D-01 0.14999880D-01 0.56311472D-01 -0.77677156D-02 -0.13175516D-01 -0.14999859D-01 -0.56311391D-01 -0.11089605D-07 -0.18810068D-07 -0.21414598D-07 -0.80396111D-07 0.77677267D-02 0.13175535D-01 0.14999880D-01 0.56311472D-01 -0.77677156D-02 -0.13175516D-01 -0.14999859D-01 -0.56311391D-01 MO 43 MO 0.0 OCC NO = 0.0000002 ORB. 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ENERGY = 0.000000 -0.30523437D-01 -0.56309782D-01 -0.90901448D-01 -0.11832668D+00 -0.10096837D+00 -0.34861951D-01 0.11615209D+00 0.53534393D-01 -0.15011603D+00 0.47803192D-06 0.36652456D-06 0.18292144D-06 0.35950689D+00 0.27564708D+00 0.13756721D+00 -0.15625861D-09 -0.11980919D-09 -0.59793184D-10 0.42163803D-01 0.28716680D-06 -0.28938385D-01 0.49787448D-11 -0.14455449D+01 0.70425423D-06 0.45347996D-01 0.12009383D-11 -0.33838552D+00 -0.24533018D+00 0.85957610D-01 -0.23177870D-05 0.20120486D-10 -0.14172223D-09 -0.15260155D-01 -0.28152007D-01 -0.45446067D-01 -0.59157276D-01 -0.50479011D-01 -0.17429189D-01 0.58072529D-01 0.26765576D-01 -0.75053468D-01 0.71544381D-01 0.54855694D-01 0.27376836D-01 0.23562171D+00 0.18065978D+00 0.90161891D-01 -0.14555206D-09 -0.11160009D-09 -0.55696267D-10 0.21055553D-01 -0.63393444D-01 0.80891300D-01 0.20608249D-11 -0.72230278D+00 -0.10494646D+00 0.22704556D+00 0.15590124D-11 0.22118036D+00 -0.51303889D+00 0.42976897D-01 -0.37017247D+00 -0.12080910D-09 -0.47861605D-10 0.15260026D-01 0.28151768D-01 0.45445682D-01 0.59156775D-01 0.50478583D-01 0.17429042D-01 -0.58072037D-01 -0.26765349D-01 0.75052831D-01 -0.71542826D-01 -0.54854501D-01 -0.27376241D-01 0.23562135D+00 0.18065951D+00 0.90161755D-01 -0.17867319D-09 -0.13699527D-09 -0.68370240D-10 -0.21055375D-01 0.63393483D-01 0.80891612D-01 0.10832225D-10 0.72229665D+00 0.10494698D+00 0.22704608D+00 0.14378116D-11 -0.22118251D+00 0.51303856D+00 -0.42976533D-01 -0.37017398D+00 -0.13911624D-09 0.82170455D-10 0.30523437D-01 0.56309782D-01 0.90901448D-01 0.11832668D+00 0.10096837D+00 0.34861951D-01 -0.11615209D+00 -0.53534393D-01 0.15011603D+00 0.47829556D-06 0.36672670D-06 0.18302233D-06 0.35950689D+00 0.27564708D+00 0.13756721D+00 -0.15927185D-09 -0.12211955D-09 -0.60946214D-10 -0.42163804D-01 0.28739318D-06 -0.28938385D-01 0.54460985D-11 0.14455449D+01 0.70446543D-06 0.45347996D-01 0.11159780D-11 0.33838552D+00 0.24533018D+00 -0.85957610D-01 0.23186064D-05 -0.23023899D-10 0.13970040D-09 0.15260155D-01 0.28152007D-01 0.45446067D-01 0.59157276D-01 0.50479011D-01 0.17429189D-01 -0.58072529D-01 -0.26765575D-01 0.75053468D-01 0.71544381D-01 0.54855694D-01 0.27376836D-01 0.23562170D+00 0.18065978D+00 0.90161891D-01 -0.15261513D-09 -0.11701560D-09 -0.58398987D-10 -0.21055553D-01 -0.63393444D-01 0.80891300D-01 0.34317324D-11 0.72230278D+00 -0.10494646D+00 0.22704556D+00 0.12441148D-11 -0.22118036D+00 0.51303889D+00 -0.42976897D-01 0.37017247D+00 0.12148632D-09 0.51444591D-10 -0.15260026D-01 -0.28151768D-01 -0.45445682D-01 -0.59156775D-01 -0.50478583D-01 -0.17429042D-01 0.58072037D-01 0.26765349D-01 -0.75052831D-01 -0.71542826D-01 -0.54854501D-01 -0.27376241D-01 0.23562135D+00 0.18065951D+00 0.90161755D-01 -0.17630903D-09 -0.13518258D-09 -0.67465582D-10 0.21055374D-01 0.63393482D-01 0.80891612D-01 0.10271537D-10 -0.72229665D+00 0.10494698D+00 0.22704608D+00 0.15247443D-11 0.22118251D+00 -0.51303856D+00 0.42976533D-01 0.37017398D+00 0.13759923D-09 -0.86828495D-10 -0.51338303D-01 -0.87079479D-01 -0.99136909D-01 0.83562619D-01 -0.25668022D-01 -0.43537823D-01 -0.49566273D-01 0.41765537D-01 0.25667804D-01 0.43537454D-01 0.49565852D-01 -0.41765183D-01 0.51338303D-01 0.87079479D-01 0.99136909D-01 -0.83562619D-01 0.25668022D-01 0.43537823D-01 0.49566273D-01 -0.41765537D-01 -0.25667804D-01 -0.43537454D-01 -0.49565852D-01 0.41765183D-01 MO 45 MO 0.0 OCC NO = 0.0000001 ORB. 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ENERGY = 0.000000 0.68140919D-02 0.12570669D-01 0.20292957D-01 0.26415401D-01 0.22540309D-01 0.77826272D-02 0.23797777D+00 0.10968374D+00 -0.30756464D+00 -0.79851005D-07 -0.61224686D-07 -0.30555409D-07 -0.67700045D-01 -0.51908101D-01 -0.25905780D-01 0.50515796D-11 0.38732308D-11 0.19330136D-11 0.37255355D+00 -0.21592817D-07 -0.23567635D+00 -0.42818911D-12 0.24833594D+01 -0.36273393D-07 -0.15917978D+00 -0.25439076D-13 0.74800608D+00 -0.19974167D-01 -0.72120655D-01 0.10549823D-06 -0.12352693D-11 0.17474487D-10 -0.34064545D-02 -0.62842434D-02 -0.10144717D-01 -0.13205408D-01 -0.11268198D-01 -0.38906381D-02 -0.11899313D+00 -0.54843823D-01 0.15378781D+00 0.15764616D+00 0.12087308D+00 0.60324137D-01 -0.20533798D+00 -0.15744014D+00 -0.78573665D-01 0.76826000D-11 0.58905304D-11 0.29397875D-11 -0.18628148D+00 0.13712086D+00 -0.18253150D-02 -0.90983081D-12 -0.12416787D+01 0.12742752D+00 -0.61531538D-01 0.36444630D-12 -0.23423588D+00 -0.12976530D+00 0.36056099D-01 0.50371705D+00 -0.25938838D-11 0.76226725D-12 -0.34064577D-02 -0.62842493D-02 -0.10144727D-01 -0.13205420D-01 -0.11268209D-01 -0.38906417D-02 -0.11899324D+00 -0.54843874D-01 0.15378795D+00 0.15764615D+00 0.12087307D+00 0.60324132D-01 0.20533790D+00 0.15744008D+00 0.78573633D-01 0.66916037D-11 0.51306973D-11 0.25605775D-11 -0.18628166D+00 0.13712094D+00 0.18252415D-02 -0.88135907D-14 -0.12416799D+01 0.12742756D+00 0.61531471D-01 -0.40813302D-12 -0.23423591D+00 -0.12976560D+00 0.36056132D-01 -0.50371731D+00 -0.45207442D-11 0.41680350D-11 0.68140918D-02 0.12570669D-01 0.20292957D-01 0.26415401D-01 0.22540309D-01 0.77826271D-02 0.23797777D+00 0.10968374D+00 -0.30756464D+00 0.78566168D-07 0.60239554D-07 0.30063759D-07 0.67700045D-01 0.51908101D-01 0.25905780D-01 0.30184359D-11 0.23143452D-11 0.11550205D-11 0.37255355D+00 0.21715601D-07 0.23567635D+00 -0.13920079D-12 0.24833594D+01 0.35943287D-07 0.15917977D+00 -0.17154209D-14 0.74800608D+00 -0.19974168D-01 -0.72120655D-01 0.10589840D-06 0.22038178D-11 -0.12880919D-10 -0.34064546D-02 -0.62842437D-02 -0.10144718D-01 -0.13205408D-01 -0.11268199D-01 -0.38906383D-02 -0.11899313D+00 -0.54843824D-01 0.15378781D+00 -0.15764616D+00 -0.12087308D+00 -0.60324137D-01 0.20533798D+00 0.15744014D+00 0.78573665D-01 0.66903757D-11 0.51297558D-11 0.25601076D-11 -0.18628148D+00 -0.13712086D+00 0.18253151D-02 -0.73449623D-12 -0.12416787D+01 -0.12742752D+00 0.61531539D-01 0.36737690D-12 -0.23423588D+00 -0.12976530D+00 0.36056098D-01 0.50371705D+00 0.12395776D-11 0.45328535D-11 -0.34064578D-02 -0.62842495D-02 -0.10144727D-01 -0.13205420D-01 -0.11268209D-01 -0.38906419D-02 -0.11899324D+00 -0.54843874D-01 0.15378795D+00 -0.15764615D+00 -0.12087307D+00 -0.60324132D-01 -0.20533790D+00 -0.15744008D+00 -0.78573632D-01 0.77243660D-11 0.59225539D-11 0.29557695D-11 -0.18628165D+00 -0.13712094D+00 -0.18252419D-02 -0.12198718D-12 -0.12416799D+01 -0.12742756D+00 -0.61531470D-01 -0.42942727D-12 -0.23423591D+00 -0.12976560D+00 0.36056131D-01 -0.50371731D+00 0.42742542D-11 0.16404706D-11 0.15551339D-01 0.26378014D-01 0.30030436D-01 0.29485219D-01 -0.77750816D-02 -0.13188010D-01 -0.15014083D-01 -0.14742635D-01 -0.77750887D-02 -0.13188022D-01 -0.15014097D-01 -0.14742649D-01 0.15551339D-01 0.26378014D-01 0.30030436D-01 0.29485219D-01 -0.77750815D-02 -0.13188010D-01 -0.15014083D-01 -0.14742636D-01 -0.77750888D-02 -0.13188022D-01 -0.15014097D-01 -0.14742649D-01 MO 49 MO 0.0 OCC NO = 0.0000001 ORB. 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ENERGY = 0.000000 -0.17398734D-01 -0.32097268D-01 -0.51814942D-01 -0.67447659D-01 -0.57553210D-01 -0.19871740D-01 0.62101866D-01 0.28622693D-01 -0.80261019D-01 0.33097490D-01 0.25377056D-01 0.12664930D-01 0.74620983D-02 0.57214637D-02 0.28554114D-02 -0.53370502D+00 -0.40921116D+00 -0.20422505D+00 0.36548229D+00 -0.21534628D-01 -0.13385988D+00 0.86244486D-01 0.68567137D+00 -0.25654537D-01 -0.44344191D-01 0.61404493D-02 -0.31939060D-01 0.26190543D+00 -0.20446436D+00 -0.15399414D-01 0.17396779D-01 0.41700366D+00 -0.16785816D-02 -0.30966552D-02 -0.49989617D-02 -0.65071628D-02 -0.55525738D-02 -0.19171703D-02 0.55587413D-01 0.25620188D-01 -0.71841681D-01 0.36440113D-01 0.27939967D-01 0.13944002D-01 -0.12833154D+00 -0.98396485D-01 -0.49106742D-01 0.12932240D+00 0.99156217D-01 0.49485902D-01 -0.36050448D-01 0.14188296D+00 0.83564151D-02 0.61519372D-02 -0.10716208D+01 0.49876109D-01 0.87295437D-01 -0.15874157D-01 -0.14075842D+00 0.15780550D+00 0.16317080D-01 0.22789128D-01 0.17019683D+00 -0.26829551D+00 0.29650856D-01 0.54700040D-01 0.88302826D-01 0.11494404D+00 0.98081959D-01 0.33865344D-01 0.49478205D-01 0.22804459D-01 -0.63946085D-01 -0.43326580D-01 -0.33220073D-01 -0.16579145D-01 -0.35840326D-01 -0.27480089D-01 -0.13714490D-01 -0.18265684D+00 -0.14004968D+00 -0.69894607D-01 0.43541130D-03 -0.10580186D+00 -0.45252071D-02 -0.15929580D-01 0.11875655D+01 -0.58476648D-01 0.81743730D-01 0.46088696D-02 0.28722579D+00 0.22581385D-03 0.24978464D+00 -0.86318260D-01 0.23042780D+00 0.21946077D+00 0.38632430D-01 0.71269290D-01 0.11505073D+00 0.14976187D+00 0.12779207D+00 0.44123532D-01 0.10947240D+00 0.50455729D-01 -0.14148313D+00 -0.23476101D-01 -0.17999985D-01 -0.89832540D-02 0.79749960D-01 0.61147211D-01 0.30516744D-01 -0.48848978D+00 -0.37454298D+00 -0.18692320D+00 -0.26208377D+00 0.19960069D-01 -0.11643256D+00 0.12986907D+00 -0.85934002D+00 0.18864326D-01 -0.63715740D-01 -0.31022800D-02 0.25467898D+00 0.15530439D+00 0.30914127D+00 -0.11877740D-01 -0.97376699D-01 -0.28059606D+00 0.10505375D-01 0.19380365D-01 0.31285919D-01 0.40724970D-01 0.34750691D-01 0.11998578D-01 0.35954451D-01 0.16571374D-01 -0.46467862D-01 0.50865005D-02 0.39000059D-02 0.19463763D-02 -0.38044859D-02 -0.29170385D-02 -0.14558066D-02 -0.44821217D-01 -0.34366066D-01 -0.17151076D-01 0.11549877D+00 0.11041941D+00 -0.15689126D-01 -0.12570831D-01 0.85321502D+00 0.57231961D-01 0.20396618D-01 -0.11993438D-01 0.22775986D+00 -0.64265142D-01 0.68971828D-01 0.19947812D+00 -0.34704016D+00 0.23042102D+00 0.99843094D-02 0.18419101D-01 0.29734141D-01 0.38705016D-01 0.33027060D-01 0.11403450D-01 0.25371011D-01 0.11693476D-01 -0.32789726D-01 -0.18425922D-01 -0.14127828D-01 -0.70507765D-02 -0.73507294D-01 -0.56360730D-01 -0.28127954D-01 0.30831465D+00 0.23639612D+00 0.11797823D+00 -0.16707811D+00 -0.14054259D+00 -0.80657421D-02 -0.40321521D-01 -0.77933402D+00 -0.48410139D-01 0.17980043D-01 0.39895986D-02 -0.99500438D-01 0.17674663D+00 0.11146665D+00 0.50055750D-01 -0.53427416D+00 -0.72157115D-01 0.10180291D-01 0.17267701D-01 0.19658667D-01 -0.43050723D-01 -0.41906698D-01 -0.71081691D-01 -0.80923992D-01 -0.25686409D-01 0.46465973D-01 0.78815085D-01 0.89728189D-01 -0.22023919D-01 -0.15628856D-01 -0.26509498D-01 -0.30180127D-01 -0.11429451D-02 0.15182107D-01 0.25751727D-01 0.29317430D-01 -0.20981892D-01 -0.30899720D-01 -0.52411773D-01 -0.59668951D-01 0.62068329D-02 MO 61 MO 0.0 OCC NO = 0.0000000 ORB. 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ENERGY = 0.000000 0.25691935D-01 0.47396603D-01 0.76512814D-01 0.99596950D-01 0.84986258D-01 0.29343712D-01 0.33129861D+00 0.15269523D+00 -0.42817336D+00 0.34791748D+00 0.26676106D+00 0.13313246D+00 -0.16530357D+00 -0.12674429D+00 -0.63254286D-01 0.19602360D+00 0.15029846D+00 0.75009466D-01 0.22835161D+00 -0.21370922D+00 0.84856679D-01 -0.23157449D-01 0.54217761D+00 0.21300167D+00 -0.28601543D-01 0.24286216D-02 0.35061570D+00 0.80848253D+00 -0.43564500D-01 0.34667642D+00 0.10967888D+00 -0.32073753D+00 -0.39754494D-01 -0.73339279D-01 -0.11839234D+00 -0.15411164D+00 -0.13150374D+00 -0.45405083D-01 0.41999537D-01 0.19357548D-01 -0.54280586D-01 0.47521104D-01 0.36436169D-01 0.18184202D-01 -0.10433593D+00 -0.79998173D-01 -0.39924695D-01 -0.93545833D-02 -0.71725011D-02 -0.35795807D-02 0.53955888D+00 0.47361027D-01 -0.19606858D-01 -0.15263487D-01 -0.16837248D+01 0.13788159D+00 -0.29249855D-01 -0.22328341D-02 -0.31963939D+00 -0.19615597D+00 -0.16088176D+00 0.40446509D-01 -0.42946840D-01 0.13313339D+00 0.44414757D-01 0.81936555D-01 0.13227100D+00 0.17217755D+00 0.14691941D+00 0.50727742D-01 0.86219854D-01 0.39738652D-01 -0.11143133D+00 0.12463357D+00 0.95561118D-01 0.47691695D-01 0.32258998D+00 0.24734154D+00 0.12344076D+00 0.83567005D-01 0.64073879D-01 0.31977356D-01 -0.15615519D+00 -0.11653394D+00 -0.17618558D+00 0.73576396D-02 0.15649268D+01 -0.11431078D+00 -0.48389051D-02 0.23053818D-02 0.49698243D+00 0.54557283D-01 0.30441171D+00 -0.20484565D-01 0.68799326D-01 0.27526827D-01 0.60494690D-01 0.11160089D+00 0.18015844D+00 0.23451276D+00 0.20011016D+00 0.69093231D-01 0.18029251D+00 0.83096651D-01 -0.23301168D+00 -0.17440397D+00 -0.13372190D+00 -0.66736602D-01 0.97250926D-01 0.74565842D-01 0.37213581D-01 0.18673658D+00 0.14317777D+00 0.71455741D-01 -0.41258007D+00 0.67085557D-01 -0.74809129D-01 -0.53640621D-01 -0.25663616D+00 -0.21591035D+00 -0.42820911D-01 0.62123016D-02 0.43193457D+00 0.42961520D+00 0.43130140D+00 0.14977651D+00 0.85096389D-02 0.27793991D+00 -0.24240406D-01 -0.44718816D-01 -0.72190035D-01 -0.93969976D-01 -0.80184751D-01 -0.27685868D-01 -0.62787181D-02 -0.28938554D-02 0.81146726D-02 -0.18789970D-01 -0.14406957D-01 -0.71900813D-02 -0.14478172D-01 -0.11100944D-01 -0.55401492D-02 0.10715104D+00 0.82156623D-01 0.41001913D-01 0.25449530D+00 0.98576223D-01 -0.69758975D-01 -0.17108954D-02 0.29334787D+00 -0.94350366D-01 0.21127710D+00 -0.44778912D-03 -0.14270590D+00 -0.30725778D+00 -0.10896030D+00 -0.21796721D-01 0.61669075D-01 -0.57885379D-01 -0.15121981D-02 -0.27897102D-02 -0.45034572D-02 -0.58621632D-02 -0.50021945D-02 -0.17271375D-02 0.13093312D-01 0.60346954D-02 -0.16921916D-01 -0.17425712D+00 -0.13360930D+00 -0.66680407D-01 -0.22898979D+00 -0.17557485D+00 -0.87624155D-01 -0.17437123D+00 -0.13369680D+00 -0.66724073D-01 -0.12474285D+00 -0.59121631D-01 -0.65327963D-01 0.17598879D-01 -0.41614397D+00 0.75063787D-01 0.18103373D+00 -0.13834726D-02 -0.63277164D-02 0.78514272D-01 -0.11803607D+00 -0.62157010D-01 0.97408895D-01 0.77420685D-01 0.72684959D-02 0.12328745D-01 0.14035840D-01 -0.24889025D+00 -0.81203176D-01 -0.13773596D+00 -0.15680752D+00 -0.15884651D-01 0.65783986D-01 0.11158209D+00 0.12703227D+00 -0.10881600D+00 -0.16590331D-02 -0.28140341D-02 -0.32036783D-02 0.20075207D-01 0.12438831D-01 0.21098612D-01 0.24020024D-01 -0.63824880D-01 0.30859986D-01 0.52344377D-01 0.59592223D-01 -0.48210003D-01 MO 63 MO 0.0 OCC NO = 0.0000000 ORB. 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ENERGY = 0.000000 -0.18882958D-01 -0.34835370D-01 -0.56235089D-01 -0.73201377D-01 -0.62462867D-01 -0.21566927D-01 -0.90050928D-01 -0.41504390D-01 0.11638264D+00 -0.68938407D-01 -0.52857598D-01 -0.26379646D-01 0.88606296D-01 0.67937688D-01 0.33905668D-01 0.67336486D-01 0.51629346D-01 0.25766662D-01 0.21875464D+00 -0.37175622D-01 -0.18766181D+00 -0.38195700D-02 -0.16285163D+01 0.20700219D+00 0.86126463D-01 0.21262334D-02 -0.23322323D+00 -0.26902225D+00 -0.31875858D-01 0.14903417D+00 -0.22971461D+00 -0.11332720D+00 0.65608208D-01 0.12103433D+00 0.19538694D+00 0.25433574D+00 0.21702515D+00 0.74933568D-01 0.32877322D+00 0.15153127D+00 -0.42490951D+00 -0.27368956D+00 -0.20984779D+00 -0.10472876D+00 0.22307153D-01 0.17103710D-01 0.85359501D-02 -0.24288527D+00 -0.18622902D+00 -0.92941331D-01 -0.23673569D+00 0.13225614D+00 0.10441857D+00 0.56138493D-01 0.12158424D+01 -0.75950105D-01 -0.14671574D+00 0.15078173D-02 0.36206763D+00 0.45128658D+00 0.62810732D+00 -0.52762872D+00 0.69114638D-01 -0.26665800D+00 -0.62569834D-01 -0.11542913D+00 -0.18633840D+00 -0.24255723D+00 -0.20697452D+00 -0.71463329D-01 -0.10318994D+00 -0.47560149D-01 0.13336362D+00 0.19912957D+00 0.15267993D+00 0.76197984D-01 0.10347973D+00 0.79341695D-01 0.39597067D-01 0.23817160D+00 0.18261488D+00 0.91137622D-01 0.41852829D+00 -0.10788764D+00 0.78989355D-01 -0.47115822D-01 -0.12172792D+01 0.92640091D-01 -0.16656729D+00 -0.44200062D-02 -0.40227821D+00 -0.38909866D+00 -0.44608785D+00 -0.18159861D+00 0.14022200D+00 -0.33701580D+00 0.19352890D-02 0.35702304D-02 0.57634588D-02 0.75023109D-02 0.64017355D-02 0.22103654D-02 0.23499535D+00 0.10830914D+00 -0.30371014D+00 0.11107765D-01 0.85167295D-02 0.42504449D-02 0.11673012D+00 0.89501255D-01 0.44667399D-01 0.14907386D-01 0.11430038D-01 0.57043901D-02 -0.40544055D-01 0.29916178D-01 -0.14457550D+00 -0.61704562D-02 0.16390615D+01 -0.20084682D+00 0.95049487D-01 0.42111750D-03 0.31587642D+00 0.99697959D-01 -0.27686103D-01 0.23630906D-01 0.37939816D+00 -0.10232679D+00 0.19004277D-01 0.35059181D-01 0.56596389D-01 0.73671682D-01 0.62864179D-01 0.21705490D-01 0.14737227D+00 0.67923744D-01 -0.19046527D+00 -0.11086323D+00 -0.85002896D-01 -0.42422403D-01 0.26541448D+00 0.20350299D+00 0.10156226D+00 -0.23504975D+00 -0.18022124D+00 -0.89943029D-01 0.12959090D+00 0.15928939D+00 -0.11754466D-01 0.73318033D-01 -0.84790820D+00 -0.20153168D+00 0.18578881D+00 -0.39420136D-02 -0.10153893D-01 0.22360463D+00 0.28088676D+00 -0.15986516D+00 0.32240004D-01 -0.38490439D-01 -0.61084950D-02 -0.11268980D-01 -0.18191629D-01 -0.23680095D-01 -0.20206268D-01 -0.69767388D-02 0.15525358D+00 0.71556234D-01 -0.20065115D+00 0.19814474D+00 0.15192482D+00 0.75821133D-01 0.11012484D+00 0.84436745D-01 0.42139853D-01 0.15951577D+00 0.12230658D+00 0.61039554D-01 0.92884643D-01 -0.22781489D+00 0.30785299D-01 -0.47390574D-01 0.88347344D+00 0.18237193D+00 0.21417424D+00 -0.41534567D-03 -0.15973664D-01 -0.77056525D-01 -0.60840611D-01 0.57073879D-01 -0.18153398D+00 0.17003857D+00 0.67495749D-01 0.11448556D+00 0.13033777D+00 0.61454598D-01 0.53731854D-01 0.91139394D-01 0.10375898D+00 -0.12347387D+00 0.58614346D-01 0.99421024D-01 0.11318732D+00 -0.10509599D+00 -0.31338217D-02 -0.53155548D-02 -0.60515713D-02 -0.14979501D+00 0.10893263D+00 0.18477037D+00 0.21035453D+00 -0.38194952D-01 0.33440090D-01 0.56720722D-01 0.64574537D-01 -0.29388933D+00 MO 65 MO 0.0 OCC NO = 0.0000000 ORB. 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ENERGY = 0.000000 0.10125194D-01 0.18679005D-01 0.30153706D-01 0.39251165D-01 0.33493091D-01 0.11564359D-01 -0.79844930D-01 -0.36800455D-01 0.10319232D+00 0.15505435D+00 0.11888584D+00 0.59332367D-01 0.78933653D-03 0.60521319D-03 0.30204380D-03 0.29205430D+00 0.22392871D+00 0.11175612D+00 -0.34782788D+00 -0.54474201D-01 0.27087150D+00 -0.11287399D+00 0.80863613D+00 -0.12928676D+00 -0.25337560D-01 0.14398362D-01 -0.28365835D+00 -0.74438134D-01 0.10299743D+00 -0.17602944D+00 -0.13673922D+00 -0.42421689D+00 -0.13448388D-01 -0.24809649D-01 -0.40050466D-01 -0.52133807D-01 -0.44485872D-01 -0.15359903D-01 0.59320352D-01 0.27340696D-01 -0.76666165D-01 0.38831436D-01 0.29773482D-01 0.14859054D-01 -0.31420170D-01 -0.24090993D-01 -0.12023094D-01 -0.16682779D+00 -0.12791297D+00 -0.63837535D-01 0.27966426D+00 -0.23491342D+00 -0.71349163D-02 0.51528829D-01 -0.24025267D+00 -0.27753383D-01 0.62398922D-01 0.13845975D-01 -0.77845370D-02 0.10512393D+00 -0.79369345D-01 -0.16621602D+00 0.21033778D+00 0.46405165D+00 0.15733799D-01 0.29025787D-01 0.46856620D-01 0.60993396D-01 0.52045776D-01 0.17970156D-01 0.21238720D+00 0.97889067D-01 -0.27449116D+00 -0.30443161D+00 -0.23341885D+00 -0.11649237D+00 -0.31432020D+00 -0.24100079D+00 -0.12027629D+00 -0.33770689D+00 -0.25893223D+00 -0.12922533D+00 0.49130825D-01 0.85465316D-01 0.12600540D-01 0.75846777D-01 -0.60227472D+00 0.11374741D+00 0.13248121D+00 -0.45692157D-01 0.36597250D+00 0.11295921D+00 0.14295183D+00 0.14088941D+00 -0.28868583D+00 0.23112859D+00 0.33994579D-02 0.62713361D-02 0.10123881D-01 0.13178285D-01 0.11245054D-01 0.38826470D-02 -0.17801183D+00 -0.82045489D-01 0.23006412D+00 -0.14791745D+00 -0.11341372D+00 -0.56601396D-01 -0.52437439D-01 -0.40205702D-01 -0.20065463D-01 0.12454217D+00 0.95491039D-01 0.47656721D-01 -0.11032180D+00 0.49577573D-01 -0.56641213D-01 -0.21989386D-01 0.86769995D+00 0.13348086D+00 0.35842577D-01 0.36192377D-01 -0.30445243D+00 -0.11187183D+00 0.52291661D-01 -0.18441015D+00 -0.29646973D-01 -0.54036155D+00 -0.21919105D-02 -0.40436469D-02 -0.65276999D-02 -0.84971258D-02 -0.72506128D-02 -0.25034624D-02 0.51968681D-01 0.23952318D-01 -0.67164799D-01 0.68317610D-01 0.52381610D-01 0.26142095D-01 -0.11438477D+00 -0.87702987D-01 -0.43769937D-01 0.14431309D+00 0.11065012D+00 0.55222167D-01 -0.32774772D-01 0.37738916D-01 -0.85563779D-01 -0.49397733D-01 -0.23508370D+00 0.35511821D-01 -0.61790139D-01 -0.10533926D-01 0.72052777D-02 -0.50325185D-01 0.33750930D-01 -0.10950746D+00 0.12541146D+00 -0.12863601D+00 -0.50142274D-02 -0.92502704D-02 -0.14932805D-01 -0.19438075D-01 -0.16586544D-01 -0.57269351D-02 0.18759197D+00 0.86460970D-01 -0.24244558D+00 0.17947508D+00 0.13761010D+00 0.68677086D-01 0.18703636D+00 0.14340762D+00 0.71570453D-01 -0.25337875D+00 -0.19427475D+00 -0.96956717D-01 0.36425414D+00 0.11455938D+00 -0.11259868D+00 0.11928789D+00 -0.57900779D+00 -0.11997615D+00 -0.12791278D+00 -0.16879888D-01 0.29570376D+00 0.21647109D+00 -0.62630115D-01 0.18662582D+00 -0.62314359D+00 0.24476761D+00 0.77528235D-02 0.13150256D-01 0.14971102D-01 -0.21218020D+00 0.43844526D-01 0.74368614D-01 0.84666038D-01 0.62961533D-01 -0.33467383D-01 -0.56767015D-01 -0.64627240D-01 -0.15393635D-01 0.28621016D-01 0.48546661D-01 0.55268657D-01 -0.11436606D+00 0.41180037D-03 0.69849138D-03 0.79520774D-03 0.21549519D-01 0.94864505D-02 0.16090815D-01 0.18318825D-01 0.27935548D-01 MO 73 MO 0.0 OCC NO = 0.0000000 ORB. 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ENERGY = 0.000000 0.30563747D-01 0.56384146D-01 0.91021494D-01 0.11848294D+00 0.10110171D+00 0.34907990D-01 0.27097758D-01 0.12489332D-01 -0.35021390D-01 0.48999838D-01 0.37569968D-01 0.18750047D-01 -0.42143937D-01 -0.32313298D-01 -0.16126600D-01 -0.14945762D+00 -0.11459463D+00 -0.57190750D-01 -0.26330359D+00 -0.48757314D-01 0.28526346D+00 0.38772819D-02 0.10027538D+01 -0.31462429D-01 -0.75735699D-01 -0.37251245D-02 -0.27294716D+00 -0.16571726D+00 0.38776305D+00 0.13826213D+00 0.93347250D-01 -0.20317916D-01 0.12267122D-01 0.22630444D-01 0.36532554D-01 0.47554530D-01 0.40578367D-01 0.14010735D-01 0.17063161D+00 0.78643952D-01 -0.22052585D+00 -0.21186763D+00 -0.16244666D+00 -0.81072269D-01 0.13429189D+00 0.10296650D+00 0.51387500D-01 0.23413907D+00 0.17952299D+00 0.89594555D-01 0.56259962D+00 -0.14319508D+00 -0.18090872D+00 -0.14510489D-01 -0.85886653D+00 0.50358727D-01 0.58382098D-01 -0.15279358D-02 0.55875564D+00 0.39068662D+00 -0.82160832D-01 -0.15071320D-01 0.16816645D+00 0.37151321D+00 -0.67995349D-02 -0.12543814D-01 -0.20249605D-01 -0.26358969D-01 -0.22492156D-01 -0.77660011D-02 -0.17692234D+00 -0.81543344D-01 0.22865605D+00 0.29438503D+00 0.22571577D+00 0.11264799D+00 0.28648951D+00 0.21966199D+00 0.10962673D+00 0.12516549D-01 0.95968960D-02 0.47895237D-02 -0.37070716D+00 0.37122928D-01 -0.27394380D+00 -0.27640087D-01 0.78692633D+00 -0.47534646D-01 0.75958741D-01 0.58347643D-02 -0.11266798D+00 -0.44789253D+00 -0.50570103D-01 -0.21854241D+00 0.67283332D-01 0.44114157D+00 0.47471823D-01 0.87576243D-01 0.14137521D+00 0.18402852D+00 0.15703187D+00 0.54219330D-01 0.17700918D+00 0.81583368D-01 -0.22876828D+00 0.13847091D+00 0.10617071D+00 0.52986627D-01 0.77780674D-01 0.59637287D-01 0.29763186D-01 0.14231061D+00 0.10911475D+00 0.54455907D-01 -0.18456717D+00 -0.49588715D-01 0.13571216D+00 0.17924207D-01 -0.79577721D+00 0.30665925D-01 -0.53289909D-01 -0.14068368D-02 0.67897167D+00 0.38305239D+00 0.30372312D+00 0.11842274D+00 0.12316767D+00 0.83798173D-01 0.79528750D-02 0.14671501D-01 0.23684352D-01 0.30829990D-01 0.26307286D-01 0.90832736D-02 -0.89769687D-01 -0.41374766D-01 0.11601916D+00 -0.22715561D+00 -0.17416852D+00 -0.86922296D-01 0.24573214D+00 0.18841182D+00 0.94030702D-01 -0.20572664D+00 -0.15773814D+00 -0.78722385D-01 -0.37214435D+00 0.25682355D-01 -0.14755383D+00 0.65505711D-02 0.12010736D+01 0.90984156D-01 0.49551315D-01 0.99322302D-03 0.18501886D-01 -0.98488381D-01 -0.37900846D-01 0.13223479D+00 -0.29553725D+00 0.18170218D+00 0.90888263D-02 0.16767110D-01 0.27067314D-01 0.35233600D-01 0.30064895D-01 0.10380686D-01 0.24112581D+00 0.11113466D+00 -0.31163320D+00 0.28585453D+00 0.21917513D+00 0.10938375D+00 0.22845472D+00 0.17516459D+00 0.87419405D-01 0.21640978D+00 0.16592930D+00 0.82810347D-01 0.47440418D+00 0.64213116D-01 -0.15873482D+00 -0.79374066D-02 -0.13336056D+01 -0.11345074D+00 0.42393975D-01 0.32383917D-04 0.29903597D+00 0.21225896D+00 0.82881796D-01 0.40791065D+00 0.36169386D+00 0.18794557D+00 0.37891741D-01 0.64271564D-01 0.73170904D-01 -0.17875607D+00 0.32308262D-01 0.54800928D-01 0.62388919D-01 -0.26417114D-01 -0.10328777D+00 -0.17519560D+00 -0.19945400D+00 0.85031789D-01 -0.31154573D-01 -0.52844052D-01 -0.60161086D-01 0.21200049D+00 0.34334342D-01 0.58237543D-01 0.66301384D-01 -0.21864703D-01 0.63268816D-01 0.10731589D+00 0.12217534D+00 -0.54232464D-01 MO 95 MO 0.0 OCC NO = 0.0000000 ORB. 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ENERGY = 0.000000 0.31486340D-01 0.58086149D-01 0.93769054D-01 0.12205945D+00 0.10415355D+00 0.35961717D-01 0.28339202D+00 0.13061512D+00 -0.36625844D+00 -0.19859591D+00 -0.15227075D+00 -0.75993776D-01 -0.17743771D+00 -0.13604799D+00 -0.67897480D-01 0.19116644D+00 0.14657430D+00 0.73150850D-01 0.31787164D+00 0.20377645D-02 -0.84354167D-01 -0.27194891D-02 0.34959660D+01 0.83475842D-01 -0.35272277D+00 -0.51124105D-02 0.63084270D+00 0.26829482D+00 0.14063446D+00 0.36396895D-01 -0.58943831D-01 -0.96229310D-01 0.46501176D-01 0.85785590D-01 0.13848454D+00 0.18026572D+00 0.15382107D+00 0.53110719D-01 0.37232962D-01 0.17160638D-01 -0.48120221D-01 0.13379455D+00 0.10258517D+00 0.51197191D-01 -0.21768107D+00 -0.16690404D+00 -0.83296814D-01 0.11099559D+00 0.85104382D-01 0.42473051D-01 -0.35545699D+00 -0.28539898D-01 -0.12302852D-01 -0.15423566D-01 -0.42809054D+01 0.21133788D+00 0.21935625D+00 0.38888118D-02 0.22705210D+00 0.33177297D+00 0.40300200D+00 0.25809631D+00 -0.91644996D-02 -0.13694741D-02 -0.25732152D-01 -0.47470797D-01 -0.76632585D-01 -0.99752856D-01 -0.85119293D-01 -0.29389646D-01 0.71511817D-01 0.32959731D-01 -0.92422527D-01 -0.10113387D+00 -0.77543041D-01 -0.38699412D-01 -0.52418013D-02 -0.40190807D-02 -0.20058030D-02 0.14084710D+00 0.10799263D+00 0.53895889D-01 0.35851695D+00 0.14291211D+00 -0.79683278D-01 -0.62191134D-02 0.40958157D+01 -0.18180961D+00 0.16930021D+00 -0.12044721D-02 -0.35774415D+00 -0.24047922D+00 -0.84231446D-01 0.12273602D+00 0.13056594D+00 -0.12636481D+00 -0.64092351D-03 -0.11823787D-02 -0.19087259D-02 -0.24845940D-02 -0.21201085D-02 -0.73202253D-03 -0.25262497D+00 -0.11643462D+00 0.32649482D+00 0.26787411D+00 0.20538887D+00 0.10250344D+00 -0.18451036D+00 -0.14147084D+00 -0.70603864D-01 0.89538525D-01 0.68652462D-01 0.34262390D-01 -0.36672464D+00 -0.16335687D-01 0.15864655D+00 0.63020351D-03 -0.28897057D+01 -0.11825723D+00 -0.26107215D+00 -0.34059303D-02 -0.19352009D+00 0.10006429D+00 -0.44127131D-02 0.74934775D-01 -0.81774188D-01 0.11769014D+00 0.27525121D-01 0.50778473D-01 0.81972200D-01 0.10670345D+00 0.91050246D-01 0.31437462D-01 0.22296558D+00 0.10276463D+00 -0.28816275D+00 0.24118254D-01 0.18492347D-01 0.92289774D-02 0.24301128D+00 0.18632564D+00 0.92989551D-01 0.26081927D+00 0.19997967D+00 0.99803872D-01 0.65787746D-01 0.39317111D-01 -0.94659727D-01 -0.28416682D-01 0.45804308D+01 0.14579658D+00 0.40626908D+00 0.20810771D-02 0.29673751D+00 0.44833924D+00 0.12640596D+00 -0.20091838D+00 -0.64751699D-01 -0.17321392D-01 -0.24694257D-01 -0.45556082D-01 -0.73541642D-01 -0.95729367D-01 -0.81686042D-01 -0.28204227D-01 -0.22079833D+00 -0.10176575D+00 0.28536178D+00 -0.88368691D-01 -0.67755507D-01 -0.33814747D-01 0.12880675D+00 0.98760849D-01 0.49288585D-01 0.12040522D+00 0.92319089D-01 0.46073696D-01 -0.13330880D+00 -0.13069022D+00 -0.57067925D-01 -0.16788320D-01 -0.50018432D+01 -0.18233084D+00 0.42020812D+00 0.25213174D-02 -0.46225594D+00 -0.45424354D+00 -0.10842477D-01 -0.36723260D+00 -0.21413787D+00 0.36115943D-01 0.75407990D-01 0.12790622D+00 0.14561672D+00 -0.16584920D+00 0.44156033D-02 0.74896990D-02 0.85267576D-02 0.20766081D+00 -0.14163574D-01 -0.24024102D-01 -0.27350591D-01 -0.29561360D+00 -0.11097532D-01 -0.18823514D-01 -0.21429905D-01 0.30173982D+00 0.19354198D-01 0.32828383D-01 0.37373954D-01 -0.14595383D+00 -0.75604668D-01 -0.12823983D+00 -0.14599651D+00 0.16183447D+00 MO 97 MO 0.0 OCC NO = 0.0000000 ORB. 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ENERGY = 0.000000 0.48360379D-01 0.89215457D-01 0.14402141D+00 0.18747308D+00 0.15997112D+00 0.55234184D-01 -0.11640436D+00 -0.53650664D-01 0.15044206D+00 0.40624018D-01 0.31147920D-01 0.15544995D-01 -0.53817558D-01 -0.41263890D-01 -0.20593573D-01 0.43672249D-01 0.33485111D-01 0.16711417D-01 -0.11534237D+01 0.58420183D-01 0.48729901D+00 0.11798883D-01 0.54560254D+01 0.12308522D+00 -0.25684386D+00 -0.50214870D-02 0.22081665D+00 0.63032177D-01 0.18035152D+00 -0.14599709D+00 0.29279939D-01 -0.66159765D-01 -0.75858553D-01 -0.13994422D+00 -0.22591336D+00 -0.29407207D+00 -0.25093223D+00 -0.86640868D-01 -0.37597977D-01 -0.17328873D-01 0.48591970D-01 0.10522118D+00 0.80676925D-01 0.40263440D-01 0.11838029D+00 0.90766499D-01 0.45298845D-01 0.80984264D-01 0.62093597D-01 0.30989057D-01 0.79932766D+00 -0.48438531D+00 -0.12701507D+00 -0.11396226D-01 -0.24800781D+01 0.46813769D+00 -0.31039553D+00 -0.13847614D-02 -0.54626460D+00 -0.58253223D+00 -0.41618032D+00 -0.22761140D+00 0.43492258D-01 0.45342475D-01 0.22797104D-01 0.42056205D-01 0.67891755D-01 0.88374892D-01 0.75410455D-01 0.26037418D-01 -0.98669855D-01 -0.45476846D-01 0.12752182D+00 -0.11928127D-01 -0.91457314D-02 -0.45643609D-02 0.25180390D-01 0.19306726D-01 0.96354094D-02 0.93617110D-01 0.71779662D-01 0.35823082D-01 -0.89712257D+00 0.47416531D+00 -0.13286276D-01 -0.12804847D-01 0.22784692D+01 -0.45800874D+00 -0.26989675D+00 0.49720983D-02 -0.48079273D-01 0.35185898D+00 -0.18093600D+00 -0.62091624D-02 0.92946794D-01 0.47346734D-01 -0.42118876D-01 -0.77701103D-01 -0.12543367D+00 -0.16327737D+00 -0.13932488D+00 -0.48105532D-01 0.16367114D+00 0.75435880D-01 -0.21153008D+00 -0.22013452D+00 -0.16878519D+00 -0.84235639D-01 -0.55479883D-02 -0.42538455D-02 -0.21229670D-02 0.10388235D-01 0.79650396D-02 0.39751130D-02 0.10347223D+01 0.20663497D+00 0.42456341D+00 0.15148528D-01 -0.52424853D+01 -0.91424749D-01 -0.26082829D+00 -0.44561439D-02 -0.99145254D-01 -0.29848318D+00 -0.13073572D+00 0.49662764D+00 -0.30815535D-01 0.46371924D-01 0.55634991D-01 0.10263569D+00 0.16568583D+00 0.21567373D+00 0.18403478D+00 0.63542788D-01 0.14094901D-01 0.64963271D-02 -0.18216379D-01 0.12688228D+00 0.97285284D-01 0.48552175D-01 0.85929096D-01 0.65884981D-01 0.32881223D-01 0.13265412D+00 0.10171076D+00 0.50760799D-01 -0.56064347D+00 -0.35202255D+00 -0.10386863D+00 -0.13585385D-01 0.22958450D+01 0.39737504D+00 -0.13921048D+00 -0.19283102D-02 0.13752024D+00 0.50540083D+00 0.38547580D+00 -0.32402018D+00 -0.14066577D+00 -0.15486500D-01 -0.35270219D-01 -0.65066668D-01 -0.10503778D+00 -0.13672798D+00 -0.11667023D+00 -0.40283426D-01 0.12113766D+00 0.55832238D-01 -0.15655942D+00 -0.85159791D-01 -0.65295127D-01 -0.32586844D-01 -0.10611709D+00 -0.81363856D-01 -0.40606267D-01 0.96613464D-01 0.74077076D-01 0.36969653D-01 0.85015875D+00 0.49188633D+00 0.13615149D-01 -0.17378500D-01 -0.23169871D+01 -0.40780162D+00 -0.14298024D+00 0.60117168D-02 -0.10484698D+00 -0.51616301D+00 0.91448979D-01 0.47751883D+00 -0.83125512D-01 0.31169562D-01 0.45821110D-01 0.77721276D-01 0.88482925D-01 -0.28250788D+00 0.88054957D-01 0.14935787D+00 0.17003866D+00 0.16853799D+00 0.23920314D-01 0.40573380D-01 0.46191359D-01 -0.19140076D+00 0.37482696D-01 0.63577747D-01 0.72381018D-01 0.19994682D+00 0.39163467D-02 0.66428652D-02 0.75626672D-02 -0.12898639D+00 0.57817022D-01 0.98068612D-01 0.11164765D+00 0.16548584D+00 MO 99 MO 0.0 OCC NO = 0.0000000 ORB. 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ENERGY = 0.000000 0.62761967D-01 0.11578357D+00 0.18691059D+00 0.24330205D+00 0.20761008D+00 0.71682772D-01 0.21902104D+00 0.10094660D+00 -0.28306479D+00 -0.13787599D+00 -0.10571456D+00 -0.52758976D-01 -0.14041271D+00 -0.10765956D+00 -0.53729664D-01 0.16364395D-01 0.12547180D-01 0.62619221D-02 -0.24370152D+00 -0.15596013D+00 -0.16093805D-01 -0.27829775D-02 0.15221912D+01 0.23906774D-01 -0.12654704D+00 0.54304891D-03 0.63068167D+00 0.61397365D+00 0.39476605D+00 0.72313713D+00 -0.43792657D-02 0.16856644D+00 -0.32058271D-01 -0.59141250D-01 -0.95472315D-01 -0.12427659D+00 -0.10604544D+00 -0.36614941D-01 -0.20273152D+00 -0.93438770D-01 0.26201206D+00 0.80190812D-01 0.61485228D-01 0.30685438D-01 0.96016463D-01 0.73619333D-01 0.36741207D-01 0.15471367D-01 0.11862463D-01 0.59202004D-02 0.74211850D-01 -0.12123277D+00 0.11373649D+00 0.97092366D-04 -0.13955842D+01 0.10285922D+00 0.28171594D-01 -0.98911389D-03 -0.30110362D+00 -0.60606432D+00 -0.21230897D-01 -0.45064614D+00 0.25484583D-01 0.14154145D-01 0.27247532D-01 0.50266376D-01 0.81145517D-01 0.10562735D+00 0.90132011D-01 0.31120417D-01 0.11080363D+00 0.51069293D-01 -0.14320363D+00 -0.15091593D+00 -0.11571277D+00 -0.57748780D-01 -0.98961407D-01 -0.75877330D-01 -0.37868106D-01 0.47940460D-01 0.36757704D-01 0.18344670D-01 0.49966669D-01 -0.97811307D-01 0.65011780D-01 -0.17088083D-03 0.11804027D+01 -0.97229321D-01 0.59677270D-01 0.11724910D-03 0.66246047D+00 0.47116865D+00 0.22803174D+00 0.17308856D+00 -0.12750288D+00 0.33945046D-01 -0.52506847D-01 -0.96864879D-01 -0.15636995D+00 -0.20354721D+00 -0.17368721D+00 -0.59970018D-01 -0.19052512D+00 -0.87812852D-01 0.24623640D+00 -0.10020035D+00 -0.76827275D-01 -0.38342195D-01 -0.11407418D+00 -0.87464847D-01 -0.43651089D-01 0.13752503D-01 0.10544547D-01 0.52624681D-02 0.21907699D+00 -0.15847210D+00 -0.70019579D-01 -0.65299066D-02 -0.15460745D+01 0.33843405D-01 -0.13173512D+00 0.69171854D-03 -0.63593052D+00 -0.65909581D+00 -0.26789555D+00 -0.70817802D+00 -0.19175361D-01 -0.16276100D+00 0.48229564D-01 0.88974127D-01 0.14363183D+00 0.18696596D+00 0.15953840D+00 0.55084774D-01 0.24442699D+00 0.11265618D+00 -0.31589968D+00 0.11340332D+00 0.86950475D-01 0.43394381D-01 0.73232168D-01 0.56149781D-01 0.28022676D-01 0.21818454D-01 0.16729006D-01 0.83489466D-02 -0.13676591D+00 -0.78818650D-01 0.12284269D+00 0.50467171D-03 0.16524335D+01 0.12872346D+00 0.42587063D-01 -0.87202282D-03 0.52870497D+00 0.80493253D+00 0.41688648D-01 0.50261725D+00 0.22793586D-01 -0.22890270D-01 -0.35068894D-01 -0.64695262D-01 -0.10443821D+00 -0.13594752D+00 -0.11600427D+00 -0.40053485D-01 -0.90775573D-01 -0.41838379D-01 0.11731918D+00 -0.83441803D-01 -0.63977882D-01 -0.31929447D-01 0.16886412D-01 0.12947430D-01 0.64616748D-02 0.19177358D-01 0.14703982D-01 0.73383174D-02 0.33246133D-01 -0.11286612D+00 0.45616445D-01 0.86245019D-03 -0.14105316D+01 -0.11820091D+00 0.68443456D-01 -0.72375150D-04 -0.63445642D+00 -0.52404313D+00 -0.32167464D+00 -0.20713677D+00 0.12371091D+00 -0.95563773D-01 0.57975081D-02 0.98336710D-02 0.11195287D-01 0.31695395D-01 -0.16918856D-01 -0.28697582D-01 -0.32671183D-01 0.11859519D+00 -0.10408134D+00 -0.17654166D+00 -0.20098644D+00 0.22453979D+00 0.37798484D-03 0.64113382D-03 0.72990820D-03 -0.70218260D-01 0.30095628D-01 0.51047882D-01 0.58116209D-01 -0.99561741D-01 0.89992244D-01 0.15264388D+00 0.17377966D+00 -0.23340520D+00 MO 101 MO 0.0 OCC NO = 0.0000000 ORB. 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ENERGY = 0.000000 0.57855479D-05 0.10673206D-04 0.17229864D-04 0.22428164D-04 0.19137993D-04 0.66078890D-05 0.66978723D-04 0.30870432D-04 -0.86563914D-04 0.14721826D+00 0.11287762D+00 0.56333845D-01 0.95593434D-04 0.73294982D-04 0.36579333D-04 0.23459265D-08 0.17987077D-08 0.89768118D-09 -0.34506674D-05 -0.35450167D-01 -0.31142477D-04 -0.54581852D-09 0.68954426D-04 -0.10617725D+00 -0.25332255D-05 0.24385636D-09 0.72623847D-04 0.60146527D-04 0.22434184D-04 -0.15688116D+00 -0.16654155D-08 -0.57007667D-08 0.37279351D-01 0.68773123D-01 0.11102114D+00 0.14451654D+00 0.12331623D+00 0.42578130D-01 0.43206972D+00 0.19914054D+00 -0.55841086D+00 0.57077523D+00 0.43763424D+00 0.21841016D+00 0.24461014D+00 0.18755154D+00 0.93601362D-01 -0.36892869D-09 -0.28287112D-09 -0.14117251D-09 -0.21491557D-01 -0.18320411D+00 -0.85307665D-01 0.33706247D-10 0.44601413D+00 -0.40739443D-01 0.37751581D-01 0.72961097D-10 0.37390054D+00 0.48216371D+00 0.14454918D+00 -0.30399383D-01 0.94423055D-09 0.12967225D-08 0.37273576D-01 0.68762470D-01 0.11100395D+00 0.14449416D+00 0.12329713D+00 0.42571534D-01 0.43200267D+00 0.19910963D+00 -0.55832420D+00 0.57070950D+00 0.43758384D+00 0.21838501D+00 -0.24453265D+00 -0.18749212D+00 -0.93571710D-01 -0.11867203D-08 -0.90990185D-09 -0.45410480D-09 -0.21488470D-01 -0.18318107D+00 0.85284827D-01 0.38869899D-09 0.44594478D+00 -0.40749549D-01 -0.37774219D-01 -0.31321718D-09 0.37382145D+00 0.48211002D+00 0.14452678D+00 0.30370372D-01 0.51823023D-08 -0.17304370D-08 -0.57853194D-05 -0.10672785D-04 -0.17229184D-04 -0.22427278D-04 -0.19137237D-04 -0.66076280D-05 -0.66987025D-04 -0.30874258D-04 0.86574643D-04 0.14721826D+00 0.11287763D+00 0.56333846D-01 0.95626788D-04 0.73320556D-04 0.36592096D-04 0.15508765D-08 0.11891137D-08 0.59345110D-09 0.34354344D-05 -0.35450172D-01 -0.31167332D-04 -0.42301282D-09 -0.68961268D-04 -0.10617724D+00 -0.25334704D-05 0.26251798D-09 -0.72599732D-04 -0.60147805D-04 -0.22446092D-04 0.15688114D+00 0.11087447D-08 0.76503499D-08 -0.37279347D-01 -0.68773115D-01 -0.11102113D+00 -0.14451653D+00 -0.12331621D+00 -0.42578125D-01 -0.43206967D+00 -0.19914052D+00 0.55841080D+00 0.57077515D+00 0.43763419D+00 0.21841013D+00 0.24461010D+00 0.18755151D+00 0.93601347D-01 -0.11262339D-08 -0.86352473D-09 -0.43095936D-09 0.21491581D-01 -0.18320407D+00 -0.85307639D-01 0.14859485D-09 -0.44601410D+00 -0.40739438D-01 0.37751575D-01 0.70144101D-10 -0.37390048D+00 -0.48216370D+00 -0.14454914D+00 0.30399462D-01 -0.15862932D-08 0.22663063D-08 -0.37273577D-01 -0.68762471D-01 -0.11100395D+00 -0.14449416D+00 -0.12329713D+00 -0.42571535D-01 -0.43200268D+00 -0.19910964D+00 0.55832421D+00 0.57070952D+00 0.43758386D+00 0.21838501D+00 -0.24453267D+00 -0.18749214D+00 -0.93571717D-01 -0.11483846D-08 -0.88050845D-09 -0.43943543D-09 0.21488460D-01 -0.18318109D+00 0.85284841D-01 0.37945329D-09 -0.44594479D+00 -0.40749553D-01 -0.37774224D-01 -0.33383800D-09 -0.37382146D+00 -0.48211001D+00 -0.14452679D+00 -0.30370352D-01 -0.43805611D-08 0.45634233D-08 -0.15757635D-05 -0.26727931D-05 -0.30428805D-05 0.28940132D-04 -0.10124267D-01 -0.17172674D-01 -0.19550482D-01 0.18679226D+00 -0.10122703D-01 -0.17170020D-01 -0.19547461D-01 0.18676323D+00 0.15721428D-05 0.26666518D-05 0.30358888D-05 -0.28952707D-04 0.10124263D-01 0.17172666D-01 0.19550473D-01 -0.18679222D+00 0.10122699D-01 0.17170014D-01 0.19547454D-01 -0.18676324D+00 MO 109 MO 0.0 OCC NO = 0.0000000 ORB. 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ENERGY = 0.000000 -0.20818438D-01 -0.38405952D-01 -0.61999115D-01 -0.80704426D-01 -0.68865233D-01 -0.23777510D-01 0.16126738D-01 0.74327988D-02 -0.20842344D-01 0.99490715D-10 0.76283170D-10 0.38070648D-10 0.30862372D+00 0.23663309D+00 0.11809650D+00 -0.48651915D-11 -0.37303203D-11 -0.18616913D-11 0.13242952D+00 0.54556511D-10 0.57593091D-01 0.25276563D-12 0.18148900D+00 0.82151124D-10 -0.14738109D-01 0.10505693D-12 -0.93438490D-01 -0.15810726D+00 0.11665192D+00 -0.33613077D-09 0.13036085D-12 0.37776120D-11 -0.10409340D-01 -0.19203200D-01 -0.30999919D-01 -0.40352683D-01 -0.34433018D-01 -0.11888894D-01 0.80619120D-02 0.37157279D-02 -0.10419289D-01 0.14668675D+00 0.11247009D+00 0.56130459D-01 0.54529937D-01 0.41810097D-01 0.20866169D-01 -0.25823559D-11 -0.19799867D-11 -0.98815213D-12 0.66213252D-01 0.32032739D-01 0.21076425D-02 0.13501204D-12 0.90508433D-01 0.43324310D-02 -0.22203995D-01 0.59515828D-13 -0.10926009D+00 -0.16513048D-01 0.58325258D-01 0.16211958D-01 -0.34723468D-12 0.45587813D-11 0.10409340D-01 0.19203200D-01 0.30999919D-01 0.40352684D-01 0.34433018D-01 0.11888894D-01 -0.80619120D-02 -0.37157279D-02 0.10419289D-01 -0.14668675D+00 -0.11247009D+00 -0.56130460D-01 0.54529938D-01 0.41810098D-01 0.20866169D-01 0.23046552D-11 0.17670634D-11 0.88188849D-12 -0.66213253D-01 -0.32032739D-01 0.21076427D-02 -0.12284216D-12 -0.90508434D-01 -0.43324309D-02 -0.22203995D-01 -0.51833465D-13 0.10926009D+00 0.16513049D-01 -0.58325258D-01 0.16211957D-01 0.55851178D-12 0.45587055D-11 0.20818438D-01 0.38405952D-01 0.61999115D-01 0.80704426D-01 0.68865233D-01 0.23777510D-01 -0.16126738D-01 -0.74327988D-02 0.20842344D-01 0.98665290D-10 0.75650286D-10 0.37754795D-10 0.30862372D+00 0.23663309D+00 0.11809650D+00 0.48718564D-11 0.37354305D-11 0.18642416D-11 -0.13242952D+00 0.55070629D-10 0.57593091D-01 -0.25682569D-12 -0.18148900D+00 0.81667491D-10 -0.14738109D-01 -0.10468935D-12 0.93438490D-01 0.15810726D+00 -0.11665192D+00 0.33573062D-09 0.13249171D-12 0.37789272D-11 0.10409340D-01 0.19203200D-01 0.30999919D-01 0.40352683D-01 0.34433018D-01 0.11888894D-01 -0.80619120D-02 -0.37157279D-02 0.10419289D-01 0.14668675D+00 0.11247009D+00 0.56130459D-01 0.54529937D-01 0.41810097D-01 0.20866169D-01 0.25727059D-11 0.19725877D-11 0.98445950D-12 -0.66213252D-01 0.32032739D-01 0.21076425D-02 -0.13549967D-12 -0.90508433D-01 0.43324310D-02 -0.22203995D-01 -0.58692110D-13 0.10926009D+00 0.16513048D-01 -0.58325258D-01 -0.16211958D-01 -0.35271397D-12 0.45473743D-11 -0.10409340D-01 -0.19203200D-01 -0.30999919D-01 -0.40352684D-01 -0.34433018D-01 -0.11888894D-01 0.80619120D-02 0.37157279D-02 -0.10419289D-01 -0.14668675D+00 -0.11247009D+00 -0.56130460D-01 0.54529938D-01 0.41810098D-01 0.20866169D-01 -0.23216528D-11 -0.17800961D-11 -0.88839270D-12 0.66213253D-01 -0.32032739D-01 0.21076427D-02 0.12418060D-12 0.90508434D-01 -0.43324309D-02 -0.22203995D-01 0.51777496D-13 -0.10926009D+00 -0.16513049D-01 0.58325258D-01 -0.16211957D-01 0.57034803D-12 0.45627437D-11 -0.34973778D-01 -0.59322147D-01 -0.67536167D-01 -0.17661760D+00 -0.17487083D-01 -0.29661403D-01 -0.33768459D-01 -0.88301724D-01 0.17487084D-01 0.29661403D-01 0.33768459D-01 0.88301725D-01 0.34973778D-01 0.59322147D-01 0.67536167D-01 0.17661760D+00 0.17487083D-01 0.29661403D-01 0.33768459D-01 0.88301724D-01 -0.17487084D-01 -0.29661403D-01 -0.33768459D-01 -0.88301725D-01 END DATA TOTAL ENERGY = -232.059967614971 THE VIRIAL(-V/T)= 2.00821565