H3 GAUSSIAN 10 MOL ORBITALS 134 PRIMITIVES 6 NUCLEI O 1 (CENTRE 1) -0.85947439 -0.64739834 2.68696297 CHARGE = 8.0 H 2 (CENTRE 2) 0.56403247 -1.32901989 3.57417910 CHARGE = 1.0 H 3 (CENTRE 3) -0.19857029 -0.28333214 1.02734868 CHARGE = 1.0 O 4 (CENTRE 4) 0.77362578 0.59139635 -2.44484772 CHARGE = 8.0 H 5 (CENTRE 5) -0.19857029 -0.28333214 -3.70123938 CHARGE = 1.0 H 6 (CENTRE 6) 0.51989714 2.34370019 -2.83721039 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 1 1 1 1 1 1 1 1 CENTRE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 CENTRE ASSIGNMENTS 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 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 4 4 4 4 4 4 4 4 4 4 5 5 CENTRE ASSIGNMENTS 5 5 5 5 5 5 6 6 6 6 6 6 6 6 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 TYPE ASSIGNMENTS 4 4 4 2 3 4 2 3 4 5 6 7 8 9 10 5 6 7 8 9 TYPE ASSIGNMENTS 10 11 12 13 17 14 15 18 19 16 20 1 1 1 1 1 2 3 4 1 TYPE ASSIGNMENTS 1 1 1 1 2 3 4 1 1 1 1 1 1 1 1 1 1 1 2 2 TYPE ASSIGNMENTS 2 2 3 3 3 3 4 4 4 4 2 3 4 2 3 4 5 6 7 8 TYPE ASSIGNMENTS 9 10 5 6 7 8 9 10 11 12 13 17 14 15 18 19 16 20 1 1 TYPE ASSIGNMENTS 1 1 1 2 3 4 1 1 1 1 1 2 3 4 EXPONENTS 0.2703238D+05 0.4052387D+04 0.9223272D+03 0.2612407D+03 0.8535464D+02 EXPONENTS 0.3103504D+02 0.1226086D+02 0.4998708D+01 0.1170311D+01 0.4647474D+00 EXPONENTS 0.1850454D+00 0.6327495D+02 0.1462705D+02 0.4450122D+01 0.1527580D+01 EXPONENTS 0.6327495D+02 0.1462705D+02 0.4450122D+01 0.1527580D+01 0.6327495D+02 EXPONENTS 0.1462705D+02 0.4450122D+01 0.1527580D+01 0.5293512D+00 0.5293512D+00 EXPONENTS 0.5293512D+00 0.1747842D+00 0.1747842D+00 0.1747842D+00 0.2314000D+01 EXPONENTS 0.2314000D+01 0.2314000D+01 0.2314000D+01 0.2314000D+01 0.2314000D+01 EXPONENTS 0.6450000D+00 0.6450000D+00 0.6450000D+00 0.6450000D+00 0.6450000D+00 EXPONENTS 0.6450000D+00 0.1428000D+01 0.1428000D+01 0.1428000D+01 0.1428000D+01 EXPONENTS 0.1428000D+01 0.1428000D+01 0.1428000D+01 0.1428000D+01 0.1428000D+01 EXPONENTS 0.1428000D+01 0.3406134D+02 0.5123575D+01 0.1164663D+01 0.3272304D+00 EXPONENTS 0.1030724D+00 0.8000000D+00 0.8000000D+00 0.8000000D+00 0.3406134D+02 EXPONENTS 0.5123575D+01 0.1164663D+01 0.3272304D+00 0.1030724D+00 0.8000000D+00 EXPONENTS 0.8000000D+00 0.8000000D+00 0.2703238D+05 0.4052387D+04 0.9223272D+03 EXPONENTS 0.2612407D+03 0.8535464D+02 0.3103504D+02 0.1226086D+02 0.4998708D+01 EXPONENTS 0.1170311D+01 0.4647474D+00 0.1850454D+00 0.6327495D+02 0.1462705D+02 EXPONENTS 0.4450122D+01 0.1527580D+01 0.6327495D+02 0.1462705D+02 0.4450122D+01 EXPONENTS 0.1527580D+01 0.6327495D+02 0.1462705D+02 0.4450122D+01 0.1527580D+01 EXPONENTS 0.5293512D+00 0.5293512D+00 0.5293512D+00 0.1747842D+00 0.1747842D+00 EXPONENTS 0.1747842D+00 0.2314000D+01 0.2314000D+01 0.2314000D+01 0.2314000D+01 EXPONENTS 0.2314000D+01 0.2314000D+01 0.6450000D+00 0.6450000D+00 0.6450000D+00 EXPONENTS 0.6450000D+00 0.6450000D+00 0.6450000D+00 0.1428000D+01 0.1428000D+01 EXPONENTS 0.1428000D+01 0.1428000D+01 0.1428000D+01 0.1428000D+01 0.1428000D+01 EXPONENTS 0.1428000D+01 0.1428000D+01 0.1428000D+01 0.3406134D+02 0.5123575D+01 EXPONENTS 0.1164663D+01 0.3272304D+00 0.1030724D+00 0.8000000D+00 0.8000000D+00 EXPONENTS 0.8000000D+00 0.3406134D+02 0.5123575D+01 0.1164663D+01 0.3272304D+00 EXPONENTS 0.1030724D+00 0.8000000D+00 0.8000000D+00 0.8000000D+00 MO 1 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -19.232155 0.42286253D-06 0.78957052D-06 0.13503724D-05 0.21140551D-05 0.28915614D-05 0.31062890D-05 -0.26188456D-04 -0.82746041D-05 0.35163685D-04 -0.11012261D-03 0.34543566D-03 -0.90652688D-04 -0.10035732D-03 -0.87397605D-04 -0.50759402D-04 -0.81972069D-05 -0.90747414D-05 -0.79028682D-05 -0.45898840D-05 0.10056272D-03 0.11132825D-03 0.96951799D-04 0.56308355D-04 0.10967259D-03 0.10033469D-04 -0.12201768D-03 0.35891904D-04 0.23256556D-04 -0.10074263D-03 0.43960197D-04 0.14203880D-03 -0.18599900D-03 0.63630760D-05 0.19571709D-03 0.18209223D-03 -0.32949136D-04 -0.83402658D-04 0.11635179D-03 -0.37562268D-05 -0.10519644D-03 -0.11518340D-03 -0.24112021D-04 -0.15578247D-04 -0.64273342D-04 -0.26991858D-04 -0.50489023D-04 0.12072389D-03 0.99327920D-04 0.97223765D-04 0.72096138D-04 -0.11723052D-03 0.52098911D-05 0.94027930D-05 0.13881665D-04 -0.92178111D-04 0.47358857D-04 0.25331194D-04 -0.15121661D-04 0.24903416D-04 -0.67537562D-06 -0.12189155D-05 -0.17995267D-05 -0.30392366D-03 -0.19602524D-03 0.87765391D-04 0.20996133D-05 -0.79698186D-04 0.37435251D+00 0.69899242D+00 0.11954602D+01 0.18715345D+01 0.25598467D+01 0.27499412D+01 0.19074657D+01 0.60269012D+00 0.26356143D-01 -0.83749830D-02 0.18524374D-02 -0.30316359D-02 -0.33561812D-02 -0.29227784D-02 -0.16975120D-02 0.20036652D-02 0.22181633D-02 0.19317192D-02 0.11219176D-02 -0.35710053D-02 -0.39532916D-02 -0.34427805D-02 -0.19995225D-02 0.97103370D-03 -0.62233275D-03 0.10847166D-02 -0.12242876D-03 0.38722343D-04 -0.15752299D-04 -0.56316743D-03 0.94813517D-03 -0.38496774D-03 0.31323538D-03 0.17626156D-02 0.47423115D-03 0.27635149D-03 -0.43213947D-03 0.15578798D-03 -0.15889747D-03 -0.78841467D-03 -0.20788735D-03 -0.40870612D-03 -0.78465315D-03 -0.30518584D-03 0.53839977D-03 0.10438116D-02 0.31903458D-04 0.68771858D-03 0.13101478D-02 0.88365405D-03 0.13902252D-02 0.20679585D-03 0.37322441D-03 0.55100396D-03 0.36283290D-03 -0.19903041D-03 0.53702302D-03 0.54543016D-03 0.61803787D-03 0.20679988D-03 0.37323170D-03 0.55101472D-03 0.36270881D-03 -0.19901987D-03 0.12290357D-03 -0.96865397D-03 0.12000636D-03 MO 2 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -19.169732 0.37435201D+00 0.69899149D+00 0.11954586D+01 0.18715320D+01 0.25598433D+01 0.27499375D+01 0.19074258D+01 0.60267752D+00 0.26460383D-01 -0.85635519D-02 0.21515095D-02 0.48728906D-02 0.53945475D-02 0.46979188D-02 0.27284907D-02 -0.76006680D-03 -0.84143413D-03 -0.73277493D-03 -0.42558624D-03 -0.17518289D-02 -0.19393672D-02 -0.16889256D-02 -0.98090622D-03 -0.15540264D-02 0.19949964D-03 0.68930170D-03 0.20112449D-03 0.13107211D-04 -0.20771743D-03 0.26222942D-03 -0.77280426D-03 0.51057483D-03 -0.85127814D-03 0.35688339D-03 -0.11408377D-02 -0.10212559D-03 0.37733968D-03 -0.27521409D-03 0.37924348D-03 -0.11569649D-03 0.55444427D-03 0.24404014D-03 -0.10353763D-03 0.60164372D-03 0.53887013D-03 0.82991713D-03 -0.12209828D-02 -0.12709906D-02 -0.51930423D-03 -0.58394837D-03 0.20296386D-02 0.20955188D-03 0.37819848D-03 0.55834735D-03 0.29744025D-03 -0.14476232D-03 -0.73764790D-03 0.36380138D-03 -0.49197244D-03 0.19953074D-03 0.36011237D-03 0.53164621D-03 0.29436011D-03 -0.52384603D-03 -0.31718504D-03 -0.22814530D-03 0.95906097D-03 0.18681532D-05 0.34882227D-05 0.59657747D-05 0.93396281D-05 0.12774553D-04 0.13723192D-04 -0.28686459D-04 -0.90638827D-05 0.70900918D-04 -0.11958039D-03 0.13443066D-03 0.43079888D-04 0.47691713D-04 0.41533010D-04 0.24121837D-04 -0.61062185D-04 -0.67599067D-04 -0.58869614D-04 -0.34190713D-04 0.14990402D-03 0.16595168D-03 0.14452139D-03 0.83936161D-04 -0.36915344D-04 0.53349882D-04 -0.13183358D-03 -0.49108676D-07 -0.37847423D-04 0.11503520D-03 0.94096707D-05 -0.39374356D-04 0.29964685D-04 -0.31200866D-05 -0.80638836D-04 -0.26712356D-04 -0.85924591D-05 0.17382645D-04 -0.87901862D-05 0.71631898D-05 0.26905618D-04 0.11895361D-04 -0.15117375D-04 0.61431402D-05 -0.25706763D-04 -0.32731642D-04 -0.36407282D-04 0.44077832D-04 0.78083766D-04 0.17977862D-04 0.33042458D-04 -0.10528526D-03 -0.19635210D-05 -0.35437557D-05 -0.52317677D-05 -0.26580841D-04 0.46435615D-04 -0.89191941D-05 0.84102784D-05 -0.11373342D-04 -0.19577677D-05 -0.35333721D-05 -0.52164381D-05 -0.26411641D-04 0.46466369D-04 -0.99435398D-05 0.44476447D-05 -0.12441292D-04 MO 3 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -1.069086 -0.48010864D-02 -0.89646066D-02 -0.15331826D-01 -0.24002507D-01 -0.32830140D-01 -0.35268109D-01 -0.39209504D-01 -0.12388784D-01 0.14800755D-01 0.10852635D-01 0.50393907D-03 0.14116166D-01 0.15627343D-01 0.13609295D-01 0.79041029D-02 -0.23776593D-03 -0.26321946D-03 -0.22922843D-03 -0.13313292D-03 -0.11051991D-01 -0.12235138D-01 -0.10655145D-01 -0.61883707D-02 0.25572013D-02 -0.36743236D-04 -0.20216025D-02 -0.81585656D-04 -0.53420026D-04 0.23075177D-03 -0.74148833D-04 -0.20450143D-02 0.21191631D-02 -0.91001885D-03 -0.14685152D-02 -0.27078395D-02 0.11816881D-03 -0.39940297D-03 0.28123416D-03 -0.16848695D-03 -0.49014947D-03 -0.36764665D-03 -0.32052715D-03 -0.39423088D-04 -0.63559012D-03 -0.83314102D-03 -0.74593038D-03 0.81661312D-03 0.17947225D-02 0.86419964D-03 0.10901572D-02 -0.19060381D-02 0.12336958D-02 0.22265698D-02 0.32871611D-02 0.13592187D-02 -0.22133741D-04 -0.70252904D-03 0.42282930D-03 -0.70095077D-03 0.21847255D-02 0.39429848D-02 0.58211633D-02 0.33871240D-02 0.61883211D-03 0.19322474D-03 0.30926524D-03 -0.11011020D-02 -0.83578574D-01 -0.15605823D+00 -0.26690045D+00 -0.41784196D+00 -0.57151570D+00 -0.61395651D+00 -0.68363178D+00 -0.21600290D+00 0.26367430D+00 0.18024292D+00 0.30737259D-01 -0.14090096D+00 -0.15598481D+00 -0.13584160D+00 -0.78895051D-01 0.97388906D-01 0.10781467D+00 0.93891944D-01 0.54531231D-01 -0.17894803D+00 -0.19810492D+00 -0.17252250D+00 -0.10019885D+00 -0.26397333D-01 0.17653057D-01 -0.31721487D-01 -0.98564933D-03 0.64892292D-03 -0.11531635D-02 -0.15454885D-01 0.20130178D-01 -0.46752929D-02 0.69865090D-02 0.41267114D-01 0.63469089D-02 -0.45217527D-02 0.44906513D-02 0.31101408D-04 0.12332374D-02 0.11488279D-01 -0.10809810D-03 0.73154768D-02 0.11675946D-01 0.55324093D-02 -0.86124994D-02 -0.15633980D-01 -0.32135971D-02 -0.13333931D-01 -0.19393859D-01 -0.13383631D-01 -0.16947256D-01 0.23564009D-01 0.42528240D-01 0.62785895D-01 0.21175633D-01 0.63005759D-03 0.90532619D-02 0.11113894D-01 0.11708414D-01 0.23563478D-01 0.42527282D-01 0.62784481D-01 0.21175257D-01 0.62989681D-03 0.98897800D-03 -0.18372152D-01 0.20099844D-02 MO 4 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -1.008036 -0.83413167D-01 -0.15574938D+00 -0.26637224D+00 -0.41701502D+00 -0.57038463D+00 -0.61274145D+00 -0.68231160D+00 -0.21558577D+00 0.26336121D+00 0.17920628D+00 0.30585096D-01 0.23541790D+00 0.26062006D+00 0.22696471D+00 0.13181818D+00 -0.38883186D-01 -0.43045743D-01 -0.37487000D-01 -0.21771967D-01 -0.78048014D-01 -0.86403278D-01 -0.75245529D-01 -0.43701633D-01 0.43277027D-01 -0.70029195D-02 -0.14789036D-01 0.14325350D-02 -0.28646243D-03 -0.32297520D-03 0.86858498D-02 -0.23107846D-01 0.14421996D-01 -0.22529777D-01 0.20093389D-02 -0.30532595D-01 0.31202825D-02 -0.63754114D-02 0.32551289D-02 -0.61192278D-02 -0.67384857D-03 -0.75037982D-02 -0.24338883D-02 0.21287217D-02 -0.85425473D-02 -0.10201916D-01 -0.14346440D-01 0.16440913D-01 0.17503581D-01 0.79602744D-02 0.91867292D-02 -0.30013347D-01 0.24068015D-01 0.43437868D-01 0.64128810D-01 0.22367001D-01 0.79317181D-03 -0.13028987D-01 0.72471595D-02 -0.11190228D-01 0.22991323D-01 0.41494657D-01 0.61259982D-01 0.20572211D-01 0.12548958D-02 -0.45239949D-02 -0.46061372D-02 0.17796155D-01 0.55467254D-02 0.10356867D-01 0.17712955D-01 0.27730248D-01 0.37928867D-01 0.40745469D-01 0.45348705D-01 0.14328549D-01 -0.17263692D-01 -0.12626420D-01 -0.21651719D-02 0.81524195D-02 0.90251594D-02 0.78596891D-02 0.45648061D-02 -0.10411178D-01 -0.11525724D-01 -0.10037341D-01 -0.58295585D-02 0.24893276D-01 0.27558172D-01 0.23999428D-01 0.13938559D-01 0.17205070D-02 -0.18883022D-02 0.43134050D-02 0.41234958D-04 -0.90016620D-04 0.24002576D-03 0.97141405D-03 -0.16652004D-02 0.69378634D-03 -0.35502871D-03 -0.35729042D-02 -0.67975485D-03 0.36775037D-03 -0.49736644D-03 0.12961607D-03 -0.46205357D-04 -0.13264943D-02 -0.60289946D-04 -0.64219800D-03 -0.10363307D-02 -0.54080605D-03 0.59940701D-03 0.12616169D-02 0.27869808D-03 0.13271870D-02 0.18473752D-02 0.13437201D-02 0.13632859D-02 -0.17823714D-02 -0.32168176D-02 -0.47490978D-02 -0.15127977D-02 -0.12012750D-03 -0.62972740D-03 -0.79702887D-03 -0.51534697D-03 -0.17820688D-02 -0.32162715D-02 -0.47482915D-02 -0.15128417D-02 -0.12018513D-03 -0.10317509D-03 0.11283044D-02 0.11792470D-03 MO 5 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.572111 0.15910316D-05 0.29707803D-05 0.50808125D-05 0.79541890D-05 0.10879577D-04 0.11687496D-04 0.13103883D-04 0.41403529D-05 -0.52662505D-05 -0.38160597D-05 -0.15859178D-05 0.20031062D-02 0.22175445D-02 0.19311803D-02 0.11216046D-02 0.74502864D-02 0.82478610D-02 0.71827676D-02 0.41716588D-02 0.23189099D-02 0.25671559D-02 0.22356444D-02 0.12984335D-02 0.25011325D-03 0.93598884D-03 0.28599656D-03 0.99056704D-04 0.36423729D-03 0.11757393D-03 0.11655224D-03 0.13101230D-03 -0.24756454D-03 0.48353717D-03 -0.78750291D-04 -0.72788331D-03 0.37018308D-04 -0.29518050D-04 -0.75002581D-05 0.13214646D-03 0.34753623D-04 -0.35816667D-04 0.42745831D-04 0.81591178D-04 -0.12524853D-03 -0.22507283D-03 0.90171551D-04 0.21723793D-03 0.96835334D-04 -0.33494509D-03 0.15850765D-03 0.56618550D-03 -0.41685541D-05 -0.75233917D-05 -0.11107040D-04 -0.56260669D-05 -0.74351327D-06 0.29005523D-04 0.97158564D-04 0.32284868D-04 0.48594897D-05 0.87703897D-05 0.12948026D-04 0.79054430D-05 0.93234667D-06 0.45521352D-03 0.16682033D-02 0.54698663D-03 -0.52754955D-06 -0.98504251D-06 -0.16846808D-05 -0.26374264D-05 -0.36074180D-05 -0.38753052D-05 -0.42624146D-05 -0.13467687D-05 0.13093163D-05 0.15776725D-05 0.18523806D-05 0.29483799D+00 0.32640125D+00 0.28425119D+00 0.16508943D+00 0.10780164D+01 0.11934212D+01 0.10393079D+01 0.60361663D+00 0.35460373D+00 0.39256507D+00 0.34187090D+00 0.19855421D+00 0.50019592D-01 0.18288871D+00 0.60159678D-01 0.51476983D-02 0.18822207D-01 0.61917358D-02 -0.20097661D-01 0.52560709D-01 -0.32463049D-01 -0.59114629D-01 -0.51166906D-01 -0.81413156D-01 -0.52912059D-02 0.12737825D-01 -0.74466193D-02 -0.15861503D-01 -0.12555747D-01 -0.18450786D-01 -0.59192201D-02 0.94839482D-02 -0.22996776D-02 0.49100215D-02 -0.21009150D-01 0.51535323D-02 0.12847639D-01 -0.74426951D-02 0.17455005D-02 0.45259865D-01 -0.37294318D-01 -0.67308652D-01 -0.99370064D-01 -0.55506248D-01 -0.71028367D-02 -0.12554913D-01 -0.67467098D-03 -0.16280872D-01 0.37292780D-01 0.67305876D-01 0.99365967D-01 0.55503688D-01 0.71025893D-02 0.81789930D-02 -0.15323166D-01 0.11019438D-01 MO 6 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.517605 -0.18718178D-03 -0.34950652D-03 -0.59774771D-03 -0.93579487D-03 -0.12799611D-02 -0.13750111D-02 -0.16436592D-02 -0.51933681D-03 0.11847223D-02 -0.56427284D-03 -0.18273810D-03 0.29564732D+00 0.32729722D+00 0.28503146D+00 0.16554260D+00 -0.40956470D+00 -0.45340978D+00 -0.39485839D+00 -0.22932866D+00 0.10000520D+01 0.11071105D+01 0.96414299D+00 0.55996182D+00 0.49414399D-01 -0.69332092D-01 0.16982002D+00 0.49213775D-02 -0.70319153D-02 0.17298941D-01 0.34697329D-01 0.70064141D-02 -0.41703743D-01 -0.53553934D-01 0.10414743D+00 -0.15277050D-02 0.84649129D-02 0.19788014D-02 -0.10443714D-01 -0.13083767D-01 0.25971576D-01 -0.15047418D-03 0.15688879D-02 0.11722623D-01 0.45475371D-02 -0.14841839D-03 -0.87359914D-02 0.46367535D-02 -0.45582454D-02 -0.26431878D-01 -0.18279365D-01 -0.26001557D-01 0.36045265D-01 0.65054366D-01 0.96041985D-01 0.54835551D-01 0.83258042D-02 -0.18984069D-01 0.53528075D-02 -0.45549891D-03 -0.36310730D-01 -0.65533477D-01 -0.96749313D-01 -0.53186350D-01 -0.85092251D-02 0.13975596D-01 0.30524902D-03 -0.12590296D-01 0.31411696D-02 0.58652038D-02 0.10031035D-01 0.15703935D-01 0.21479521D-01 0.23074592D-01 0.26123607D-01 0.82541144D-02 -0.10771857D-01 -0.72305979D-02 -0.64169189D-02 -0.24791299D-01 -0.27445278D-01 -0.23901113D-01 -0.13881458D-01 0.95382759D-01 0.10559376D+00 0.91957832D-01 0.53407923D-01 -0.26887555D+00 -0.29765945D+00 -0.25922099D+00 -0.15055221D+00 -0.35787611D-02 0.16426634D-01 -0.46881019D-01 0.31258672D-03 0.22944428D-02 -0.72287440D-02 -0.38603946D-02 0.25617209D-02 0.12986738D-02 -0.10731049D-02 0.12798968D-01 -0.31260366D-02 -0.90709343D-03 -0.45031199D-05 0.91159655D-03 -0.18356712D-02 0.59231851D-02 -0.26847462D-02 0.13618325D-02 0.14521247D-02 0.51962473D-03 0.95942396D-03 -0.18704390D-02 0.20616571D-02 -0.50449214D-02 -0.24859351D-02 -0.36205313D-02 -0.67326624D-03 0.48563572D-02 0.87647362D-02 0.12939680D-01 0.82258517D-02 0.76518999D-03 0.21110025D-02 0.43832769D-02 -0.13558504D-02 0.48666139D-02 0.87832474D-02 0.12967009D-01 0.82428704D-02 0.76770558D-03 0.26047565D-04 -0.32537456D-02 -0.38637578D-02 MO 7 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.438193 0.95297064D-02 0.17793904D-01 0.30432237D-01 0.47642727D-01 0.65164749D-01 0.70003890D-01 0.79504215D-01 0.25120454D-01 -0.34649512D-01 -0.20054824D-01 -0.15423339D-01 0.27280553D+00 0.30201014D+00 0.26300985D+00 0.15275273D+00 -0.13693214D+00 -0.15159112D+00 -0.13201530D+00 -0.76672782D-01 0.18924856D+00 0.20950817D+00 0.18245318D+00 0.10596645D+00 0.45756051D-01 -0.22343672D-01 0.29843870D-01 0.69209742D-02 -0.32235995D-02 0.40399481D-02 0.11759659D-01 -0.36261304D-02 -0.81335289D-02 -0.16152334D-01 0.18691241D-01 -0.40538505D-02 0.40833801D-02 -0.19509999D-02 -0.21323803D-02 -0.36078199D-02 0.24315950D-04 -0.23808006D-03 0.18304624D-03 0.29028617D-02 0.78127822D-04 -0.35085573D-02 -0.44900596D-02 0.85662957D-03 0.29594186D-02 -0.42185257D-02 -0.10910130D-02 -0.10056695D-01 0.12275739D-01 0.22155210D-01 0.32708494D-01 0.20874802D-01 0.30014588D-02 -0.38756886D-02 0.21212749D-02 -0.32231847D-02 -0.22003801D-02 -0.39712381D-02 -0.58628747D-02 -0.30950457D-02 0.36101891D-02 0.10396038D-01 0.64370272D-03 -0.10629468D-01 -0.29125042D-01 -0.54382388D-01 -0.93008130D-01 -0.14560747D+00 -0.19915892D+00 -0.21394848D+00 -0.24235774D+00 -0.76576275D-01 0.10081153D+00 0.74117382D-01 0.40013336D-01 0.62925107D+00 0.69661420D+00 0.60665643D+00 0.35233824D+00 -0.47138661D+00 -0.52184990D+00 -0.45446045D+00 -0.26394477D+00 0.90995167D+00 0.10073646D+01 0.87727786D+00 0.50951167D+00 0.10608035D+00 -0.80991725D-01 0.15803513D+00 0.18744320D-01 -0.13795197D-01 0.26356010D-01 0.10631241D-01 -0.28313655D-02 -0.77998752D-02 0.12900803D-01 -0.52887785D-01 0.21182137D-01 -0.20127189D-03 0.37060855D-02 -0.35048136D-02 0.12096537D-01 -0.23744920D-01 0.13824291D-01 -0.85636496D-02 -0.61202512D-02 -0.37347986D-02 0.54884960D-02 0.11836855D-01 0.28241087D-02 0.20202453D-01 0.65238984D-02 0.83802871D-02 -0.97948573D-03 -0.21128364D-01 -0.38132396D-01 -0.56296160D-01 -0.34215256D-01 -0.51220768D-02 0.76246607D-03 -0.19402430D-01 0.31565501D-02 -0.21128742D-01 -0.38133078D-01 -0.56297168D-01 -0.34214848D-01 -0.51237166D-02 0.91576609D-02 0.11291599D-01 0.13251512D-01 MO 8 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.377155 0.28307509D-01 0.52855887D-01 0.90397413D-01 0.14152030D+00 0.19356858D+00 0.20794300D+00 0.23563360D+00 0.74451690D-01 -0.97955971D-01 -0.73175953D-01 -0.36377070D-01 0.10471080D+01 0.11592039D+01 0.10095093D+01 0.58630998D+00 -0.16701423D+00 -0.18489358D+00 -0.16101722D+00 -0.93516725D-01 -0.36526159D+00 -0.40436389D+00 -0.35214607D+00 -0.20452190D+00 0.17688677D+00 -0.28065400D-01 -0.62153565D-01 0.31386443D-01 -0.42949149D-02 -0.13114507D-01 0.24417910D-01 -0.22653405D-01 -0.17645048D-02 -0.22596137D-01 -0.18235776D-01 -0.12063095D-01 0.13856257D-01 -0.86435706D-02 -0.52126864D-02 -0.68541177D-02 -0.17643878D-01 0.22026199D-02 0.21757026D-02 0.28916705D-02 -0.37916208D-02 -0.15542266D-01 -0.15338193D-01 0.16434499D-02 0.90151580D-02 0.66631818D-02 0.97314124D-02 -0.17913779D-01 0.20621989D-01 0.37218493D-01 0.54946934D-01 0.36110126D-01 0.59916287D-02 0.37142864D-02 0.47700906D-02 -0.17619710D-01 0.19453625D-01 0.35109834D-01 0.51833849D-01 0.29991106D-01 0.83207233D-03 0.11989395D-01 -0.64975551D-02 0.97739366D-02 0.84952841D-02 0.15862426D-01 0.27128905D-01 0.42471245D-01 0.58091302D-01 0.62405168D-01 0.70557563D-01 0.22293636D-01 -0.28423585D-01 -0.24952931D-01 -0.10309712D-01 -0.59493259D+00 -0.65862183D+00 -0.57357024D+00 -0.33312220D+00 0.11953633D+00 0.13233304D+00 0.11524412D+00 0.66932297D-01 0.13121570D+00 0.14526271D+00 0.12650411D+00 0.73471956D-01 -0.10460878D+00 0.20570842D-01 0.24430325D-01 -0.19700853D-01 0.29964119D-02 0.72717665D-02 0.66172461D-02 0.20558049D-03 -0.68228266D-02 -0.98997647D-02 0.16915849D-01 -0.99805812D-03 0.53948527D-02 -0.22559344D-02 -0.31389183D-02 -0.69292438D-02 0.62366976D-02 -0.19571276D-02 0.30313607D-02 0.12225840D-02 0.25218052D-02 -0.10645625D-01 -0.46562935D-02 -0.13385345D-01 0.15515426D-02 0.98854168D-03 0.58199296D-02 0.16384206D-02 0.45837911D-02 0.82728098D-02 0.12213432D-01 0.96506844D-02 0.15446179D-02 -0.85179380D-02 0.57408230D-02 0.58755034D-02 0.45824285D-02 0.82703506D-02 0.12209801D-01 0.96499856D-02 0.15424270D-02 -0.10988644D-01 -0.32944492D-02 0.29045438D-02 MO 9 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.353603 0.88065541D-02 0.16443631D-01 0.28122917D-01 0.44027406D-01 0.60219787D-01 0.64691714D-01 0.73249289D-01 0.23144124D-01 -0.29242177D-01 -0.24601083D-01 -0.14668356D-01 0.45371046D+00 0.50228146D+00 0.43741899D+00 0.25404731D+00 -0.55493468D-02 -0.61434202D-02 -0.53500853D-02 -0.31072606D-02 -0.36158600D+00 -0.40029482D+00 -0.34860247D+00 -0.20246382D+00 0.74549004D-01 -0.18674411D-02 -0.56504296D-01 0.14931322D-01 -0.96641648D-03 -0.95123804D-02 0.70146758D-02 -0.11641046D-01 0.46263703D-02 -0.23036379D-02 -0.25816108D-01 -0.42818139D-02 0.70820554D-02 -0.26122281D-02 -0.44698273D-02 -0.26361898D-02 -0.77937224D-02 0.34960900D-02 0.16750485D-02 0.22854856D-03 -0.19191446D-02 -0.63904973D-02 -0.64183506D-02 0.64158947D-03 0.13653517D-02 0.57327049D-02 0.51158445D-02 -0.35216201D-02 0.42108155D-02 0.75996648D-02 0.11219645D-01 0.65137979D-02 0.68156286D-03 0.54966672D-02 0.15974546D-02 -0.94478535D-02 0.11326769D-01 0.20442513D-01 0.30179981D-01 0.24129239D-01 0.75110836D-03 0.63812985D-03 -0.66608964D-02 0.19747002D-01 0.13797640D-02 0.25763006D-02 0.44061489D-02 0.68979797D-02 0.94349157D-02 0.10135553D-01 0.11660953D-01 0.36844390D-02 -0.53846907D-02 -0.11910231D-02 -0.68106361D-02 0.10265410D+01 0.11364352D+01 0.98968084D+00 0.57479388D+00 -0.90837434D-02 -0.10056184D-01 -0.87575717D-02 -0.50862847D-02 -0.82600028D+00 -0.91442598D+00 -0.79634093D+00 -0.46250455D+00 0.18137886D+00 -0.18656084D-02 -0.14515642D+00 0.38910860D-01 -0.62026801D-03 -0.30473855D-01 -0.23027621D-01 -0.88523215D-03 0.23912853D-01 0.15972814D-01 -0.11696141D-01 -0.13088989D-01 -0.13470214D-01 0.36274715D-03 0.13107467D-01 0.90466054D-02 -0.43873364D-02 -0.71422091D-02 -0.34586898D-02 -0.11125673D-02 -0.42969650D-02 0.22847423D-01 0.69236230D-02 0.29102697D-01 -0.12471353D-01 -0.35859211D-02 -0.16211802D-01 -0.63203602D-03 0.68484655D-03 0.12360086D-02 0.18247618D-02 0.38168478D-02 0.66973908D-03 0.20112655D-01 0.71738406D-03 -0.14471983D-01 0.68438958D-03 0.12351839D-02 0.18235442D-02 0.38190265D-02 0.66987281D-03 0.19438136D-01 -0.17494517D-02 -0.15280894D-01 MO 10 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.298809 0.18519513D-06 0.34579704D-06 0.59140353D-06 0.92586283D-06 0.12663763D-05 0.13604175D-05 0.13376726D-05 0.42265613D-06 0.18806243D-06 -0.27408511D-05 0.39806883D-05 0.36112309D+00 0.39978236D+00 0.34815618D+00 0.20220462D+00 0.13175604D+01 0.14586090D+01 0.12702505D+01 0.73774513D+00 0.43283994D+00 0.47917669D+00 0.41729787D+00 0.24236123D+00 0.63302951D-01 0.23095861D+00 0.75873837D-01 0.13707373D-01 0.50010610D-01 0.16427795D-01 0.12133824D-01 -0.74440552D-02 -0.46897692D-02 0.42229357D-01 0.10632056D-01 -0.16718542D-01 0.82398513D-02 -0.47445530D-02 -0.34952983D-02 0.28763563D-01 0.69596507D-02 -0.12199882D-01 0.40984476D-02 -0.86514069D-02 0.82415514D-02 -0.20410990D-01 0.10008773D-01 0.59467626D-02 0.81156468D-02 0.15945448D-01 -0.30671417D-01 -0.97821948D-02 0.15899239D-06 0.28694890D-06 0.42363247D-06 -0.75211861D-06 0.88192750D-06 0.70856679D-02 0.25851543D-01 0.84930056D-02 0.11709424D-07 0.21133127D-07 0.31199558D-07 -0.17439059D-05 -0.31470714D-05 0.66151493D-02 0.24135009D-01 0.79282600D-02 0.75750140D-06 0.14144095D-05 0.24190107D-05 0.37870456D-05 0.51798436D-05 0.55644993D-05 0.62748861D-05 0.19826369D-05 -0.21607205D-05 -0.27851091D-05 -0.34188926D-05 -0.52924984D-02 -0.58590755D-02 -0.51024597D-02 -0.29634428D-02 -0.19241020D-01 -0.21300826D-01 -0.18550129D-01 -0.10773676D-01 -0.63218033D-02 -0.69985705D-02 -0.60948051D-02 -0.35397843D-02 -0.31615429D-03 -0.11349572D-02 -0.37220906D-03 0.60246324D-03 0.22008929D-02 0.72637743D-03 0.13905334D-02 -0.28492102D-02 0.14586767D-02 0.43024409D-02 0.28871304D-02 0.35002497D-02 -0.93876494D-03 0.13403652D-02 -0.40160021D-03 -0.30664062D-02 -0.14628797D-02 -0.77968734D-03 -0.24350471D-03 0.10332183D-03 0.31709150D-03 -0.43666105D-04 -0.90877018D-03 0.12987775D-03 0.77418024D-03 0.59880469D-03 -0.10811523D-02 0.12197617D-02 0.65902255D-03 0.11894016D-02 0.17559542D-02 0.62886460D-02 -0.12611488D-02 0.19128307D-02 0.91224204D-03 0.22807626D-02 -0.65854507D-03 -0.11885398D-02 -0.17546820D-02 -0.62824715D-02 0.12636301D-02 -0.90409615D-03 0.27802860D-02 -0.10645639D-02 END DATA TOTAL ENERGY = -152.763878185800 THE VIRIAL(-V/T)= 2.00349994