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hco2.wfn
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From CHEESE@SSCvax.CIS.McMaster.CA Sat Aug 1 16:09 EDT 1992
Received: from SSCvax.CIS.McMaster.CA by alchemy.chem.utoronto.ca (5.65/1.34)
id AA08953; Sat, 1 Aug 92 16:09:36 -0400
Date: Sat, 1 Aug 1992 16:07 EDT
From: CHEESE@SSCvax.CIS.McMaster.CA
Subject: hco2.wfn
To: smb@smb.chem.niu.edu, aufinger@VTVM1.BITNET, glusker@fccc.edu,
boyd@ac.dal.ca, che9990@UBVMS.BITNET, nivan%vaxdqf@itep.itep.br,
dakkouri@dulruu51.BITNET, fkaaa00@BLEKUL11.BITNET,
b_duke@darwin.ntu.edu.au, edgecomk@qucdn.queensu.ca,
grfamini@crdec4.apgea.army.mil, sc18@nemomus.BITNET,
hartree@IMISIAM.BITNET, popeye@VTVM1.BITNET,
glendening@bert.chem.wisc.edu, kgough@abacus.ac.brocku.ca,
gronerts@gibbs.sfsu.edu, aholder@umkcvax1.bitnet,
ugca311@mvs.ulcc.ac.uk, kapsomen@zinc.chem.ucalgary.ca,
ccaz10@GRTHEUN1.BITNET, koehler@DMRHRZ11.BITNET,
kurtzh@memstvx1.BITNET, lamatsch@czheth5a.bitnet,
uabsvp02@asnuab.BITNET, agrlug@kristall.chemie.fu-berlin.dbp.de,
y_li@uprenet.BITNET, mmcallis@alchemy.chem.utoronto.ca,
eam@cc.adfa.oz.au, u3913aa@vms.ucc.okstate.edu,
paul@chem1.glasgow.ac.uk, modrego@cc.unizar.es, uabpvb01@asnuab.bitnet,
immmm04@cc.csic.es, jpr@lanl.bitnet, roberson@hydroxide.chem.utah.edu,
schwarz@hrz.uni-siegen.dbp.de, alan_shusterman@offcampus.reed.edu,
astreit@UCBCMSA.BITNET, 4210@db0tuz01.BITNET
Message-Id: <3D25E5666020E53B@SSCvax.CIS.McMaster.CA>
X-Envelope-To: mmcallis@alchemy.chem.utoronto.ca, ttang@alchemy.chem.utoronto.ca
X-Vms-To: @USERS
Status: R
Formate anion 6-31++G**
GAUSSIAN 12 MOL ORBITALS 104 PRIMITIVES 4 NUCLEI
C 1 (CENTRE 1) 0.00000000 0.00000000 0.57942804 CHARGE = 6.0
O 2 (CENTRE 2) 0.00000000 2.11695431 -0.38686460 CHARGE = 8.0
O 3 (CENTRE 3) 0.00000000 -2.11695431 -0.38686460 CHARGE = 8.0
H 4 (CENTRE 4) 0.00000000 0.00000000 2.71326541 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
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 2 3 4
EXPONENTS 0.3047525E+04 0.4573695E+03 0.1039487E+03 0.2921016E+02 0.9286663E+01
EXPONENTS 0.3163927E+01 0.7868272E+01 0.1881289E+01 0.5442493E+00 0.7868272E+01
EXPONENTS 0.1881289E+01 0.5442493E+00 0.7868272E+01 0.1881289E+01 0.5442493E+00
EXPONENTS 0.7868272E+01 0.1881289E+01 0.5442493E+00 0.1687145E+00 0.1687145E+00
EXPONENTS 0.1687145E+00 0.1687145E+00 0.4380000E-01 0.4380000E-01 0.4380000E-01
EXPONENTS 0.4380000E-01 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00
EXPONENTS 0.8000000E+00 0.8000000E+00 0.5484672E+04 0.8252349E+03 0.1880470E+03
EXPONENTS 0.5296450E+02 0.1689757E+02 0.5799635E+01 0.1553962E+02 0.3599934E+01
EXPONENTS 0.1013762E+01 0.1553962E+02 0.3599934E+01 0.1013762E+01 0.1553962E+02
EXPONENTS 0.3599934E+01 0.1013762E+01 0.1553962E+02 0.3599934E+01 0.1013762E+01
EXPONENTS 0.2700058E+00 0.2700058E+00 0.2700058E+00 0.2700058E+00 0.8450000E-01
EXPONENTS 0.8450000E-01 0.8450000E-01 0.8450000E-01 0.8000000E+00 0.8000000E+00
EXPONENTS 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.5484672E+04
EXPONENTS 0.8252349E+03 0.1880470E+03 0.5296450E+02 0.1689757E+02 0.5799635E+01
EXPONENTS 0.1553962E+02 0.3599934E+01 0.1013762E+01 0.1553962E+02 0.3599934E+01
EXPONENTS 0.1013762E+01 0.1553962E+02 0.3599934E+01 0.1013762E+01 0.1553962E+02
EXPONENTS 0.3599934E+01 0.1013762E+01 0.2700058E+00 0.2700058E+00 0.2700058E+00
EXPONENTS 0.2700058E+00 0.8450000E-01 0.8450000E-01 0.8450000E-01 0.8450000E-01
EXPONENTS 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00
EXPONENTS 0.8000000E+00 0.1873114E+02 0.2825394E+01 0.6401217E+00 0.1612778E+00
EXPONENTS 0.3600000E-01 0.1100000E+01 0.1100000E+01 0.1100000E+01
MO 1 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -20.2999736
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0.10185809E-03 -0.62728986E-13 0.10023463E-12 -0.29802626E-16 0.15830967E-04
-0.98332270E-14 -0.24693743E-12 -0.14752123E-11 -0.25765489E-12 0.18297189E-14
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0.91594649E-02 0.40869354E-02 -0.12068775E-01 0.12737899E-14 0.98138644E-15
0.43088151E-15 -0.28829800E-02 -0.22211807E-02 -0.97521795E-03 -0.12404677E-02
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0.10153969E-03 0.16545660E-03 0.23148336E-16 -0.37903054E-05 0.37038128E-05
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-0.31113147E-14 0.92067613E-15 -0.20220193E-03 0.19169822E-12
MO 2 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -20.2999400
-0.76032131E-05 -0.14026444E-04 -0.22643029E-04 -0.29474496E-04 -0.25150641E-04
-0.86839118E-05 -0.25352583E-03 -0.11684982E-03 0.32765910E-03 -0.46458861E-15
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-0.59799736E-05 -0.14837160E-03 -0.88805571E-03 -0.15585303E-03 0.91654207E-15
-0.56688934E-15 -0.90845593E-12 0.58494329E+00 0.10766079E+01 0.17421548E+01
0.22901113E+01 0.19642151E+01 0.67159852E+00 -0.91359783E-02 -0.40764557E-02
0.12037828E-01 -0.69384055E-15 -0.53456674E-15 -0.23470359E-15 -0.28671447E-02
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0.97103205E-03 0.32365768E-16 0.12453228E-03 -0.14888987E-04 -0.14163251E-03
-0.51015398E-17 -0.58826214E-06 0.49234601E-06 -0.34141266E-02 -0.32557299E-02
-0.31636818E-02 0.85810319E-15 -0.21994607E-15 -0.26326172E-03 0.58494329E+00
0.10766079E+01 0.17421548E+01 0.22901113E+01 0.19642151E+01 0.67159852E+00
-0.91359783E-02 -0.40764557E-02 0.12037828E-01 -0.93713542E-16 -0.72201232E-16
-0.31700230E-16 0.28671447E-02 0.22089804E-02 0.96986139E-03 0.13496592E-02
0.10398397E-02 0.45654563E-03 0.97103205E-03 -0.11050101E-15 -0.12453228E-03
-0.14888987E-04 -0.14163251E-03 -0.29425795E-17 0.58826216E-06 0.49234600E-06
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0.26326172E-03 -0.20738602E-04 -0.35176594E-04 -0.40047309E-04 0.13445219E-04
-0.14915103E-05 -0.62765065E-15 0.33685368E-12 0.11682620E-03
MO 3 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -11.1259858
0.53422217E+00 0.98553558E+00 0.15909600E+01 0.20709572E+01 0.17671515E+01
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0.80735526E-16 -0.22785222E-14 -0.21118904E-03 -0.38870057E-03 -0.62899089E-03
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MO 4 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -1.1740934
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MO 5 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -1.0744921
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0.25992725E-15 -0.74759164E-16 0.33628781E-02 0.96439545E-15
MO 6 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.5530167
-0.70117172E-01 -0.12935249E+00 -0.20881503E+00 -0.27181512E+00 -0.23194034E+00
-0.80083424E-01 -0.11157011E+00 -0.51422559E-01 0.14419422E+00 0.17896166E-16
0.13721645E-16 0.68480624E-17 -0.21223634E-14 -0.16272936E-14 -0.81213356E-15
0.28800605E+00 0.22082477E+00 0.11020704E+00 0.52815085E-01 -0.21353772E-16
0.14236388E-14 0.10449305E-01 0.81723774E-03 0.55233791E-17 0.16612234E-15
0.41658645E-03 -0.14158017E-01 -0.21644039E-02 0.85164950E-02 0.91567838E-15
0.81779774E-15 0.13475524E-14 0.58244667E-01 0.10720128E+00 0.17347191E+00
0.22803367E+00 0.19558316E+00 0.66873203E-01 0.98204491E-01 0.43818653E-01
-0.12939707E+00 0.44951010E-14 0.34632330E-14 0.15205458E-14 -0.33527287E+00
-0.25830967E+00 -0.11341186E+00 0.48675301E+00 0.37501695E+00 0.16465264E+00
-0.63886549E-01 0.43431938E-15 -0.12722688E-01 0.21301169E-01 -0.47251497E-02
-0.68698575E-16 0.57636688E-04 -0.33885860E-03 -0.31899863E-02 0.19678919E-02
0.35950450E-02 -0.42946813E-15 -0.35150773E-16 -0.20700089E-01 0.58244667E-01
0.10720128E+00 0.17347191E+00 0.22803367E+00 0.19558316E+00 0.66873203E-01
0.98204491E-01 0.43818653E-01 -0.12939707E+00 -0.36200009E-14 -0.27890155E-14
-0.12245280E-14 0.33527287E+00 0.25830967E+00 0.11341186E+00 0.48675301E+00
0.37501695E+00 0.16465264E+00 -0.63886549E-01 -0.22043429E-15 0.12722688E-01
0.21301169E-01 -0.47251497E-02 0.65414131E-16 -0.57636688E-04 -0.33885860E-03
-0.31899863E-02 0.19678919E-02 0.35950450E-02 0.10055396E-14 0.20933174E-15
0.20700089E-01 0.48260411E-01 0.81858791E-01 0.93193340E-01 0.27286475E-01
-0.18822032E-03 -0.24601791E-15 0.94535590E-15 -0.24668746E-01
MO 7 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.4350704
0.29516069E-01 0.54451384E-01 0.87901417E-01 0.11442153E+00 0.97636096E-01
0.33711398E-01 0.54618306E-01 0.25173527E-01 -0.70589198E-01 0.55987897E-15
0.42927968E-15 0.21424065E-15 0.17236844E-13 0.13216118E-13 0.65957693E-14
0.41469345E+00 0.31796063E+00 0.15868464E+00 -0.13947528E-01 0.28029789E-16
-0.83951432E-15 0.11799832E-01 0.25914292E-03 -0.72652828E-17 -0.18414718E-15
0.11905279E-03 0.96763138E-02 -0.26911937E-02 0.62491930E-02 -0.13411045E-14
-0.42749602E-16 0.23406753E-15 -0.42022439E-01 -0.77343721E-01 -0.12515674E+00
-0.16452204E+00 -0.14110960E+00 -0.48247767E-01 -0.70337187E-01 -0.31384316E-01
0.92678305E-01 0.93458021E-14 0.72004367E-14 0.31613795E-14 0.10123545E+01
0.77996454E+00 0.34244644E+00 0.25096101E+00 0.19335193E+00 0.84891910E-01
0.51948210E-01 0.49498841E-15 0.49336295E-01 0.16426237E-01 0.46901968E-02
0.49969754E-16 0.13228224E-02 0.36500115E-03 0.48533355E-02 -0.23809057E-01
0.13331413E-01 -0.82678011E-15 0.75855186E-15 0.14884136E-02 -0.42022439E-01
-0.77343721E-01 -0.12515674E+00 -0.16452204E+00 -0.14110960E+00 -0.48247767E-01
-0.70337187E-01 -0.31384316E-01 0.92678305E-01 -0.60862544E-14 -0.46891309E-14
-0.20587810E-14 -0.10123545E+01 -0.77996454E+00 -0.34244644E+00 0.25096101E+00
0.19335193E+00 0.84891910E-01 0.51948210E-01 -0.30099943E-15 -0.49336295E-01
0.16426237E-01 0.46901968E-02 -0.28745755E-16 -0.13228224E-02 0.36500115E-03
0.48533355E-02 -0.23809057E-01 0.13331413E-01 -0.72580272E-15 -0.98662623E-15
-0.14884136E-02 0.25631277E-01 0.43475498E-01 0.49495318E-01 0.20088197E-01
0.32421027E-03 0.32117158E-15 -0.36079578E-15 -0.77174499E-02
MO 8 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.3925008
-0.10990965E-14 -0.20276184E-14 -0.32732048E-14 -0.42607401E-14 -0.36356972E-14
-0.12553189E-14 -0.12597383E-14 -0.58061223E-15 0.16280973E-14 0.30391715E-15
0.23302440E-15 0.11629551E-15 0.47521351E+00 0.36436358E+00 0.18184296E+00
-0.15674025E-13 -0.12017848E-13 -0.59977485E-14 0.23959725E-14 0.10003107E-15
0.13052360E-01 -0.10191030E-14 0.13275707E-14 -0.84108065E-16 -0.20431390E-03
0.11305413E-15 -0.11047004E-14 -0.41105133E-15 -0.64244187E-15 0.80951759E-15
-0.85955184E-15 -0.34592804E-01 0.45179757E-01 0.83154871E-01 0.13456028E+00
0.17688325E+00 0.15171174E+00 0.51872819E-01 0.76245321E-01 0.34020514E-01
-0.10046303E+00 0.10940547E-13 0.84291014E-14 0.37008295E-14 -0.91268535E+00
-0.70317486E+00 -0.30873164E+00 0.73641683E+00 0.56736947E+00 0.24910576E+00
-0.63894105E-01 0.43466765E-15 -0.40970939E-01 0.36101567E-01 -0.50146391E-02
0.18405106E-15 -0.16027372E-02 0.12749166E-02 -0.75700601E-02 0.10995193E-01
0.26772376E-02 0.71963657E-15 -0.13181106E-15 -0.31118299E-01 -0.45179757E-01
-0.83154871E-01 -0.13456028E+00 -0.17688325E+00 -0.15171174E+00 -0.51872819E-01
-0.76245321E-01 -0.34020514E-01 0.10046303E+00 -0.92429181E-14 -0.71211701E-14
-0.31265772E-14 -0.91268535E+00 -0.70317486E+00 -0.30873164E+00 -0.73641683E+00
-0.56736947E+00 -0.24910576E+00 0.63894105E-01 -0.78890469E-15 -0.40970939E-01
-0.36101567E-01 0.50146391E-02 0.84189932E-16 -0.16027372E-02 -0.12749166E-02
0.75700601E-02 -0.10995193E-01 -0.26772376E-02 -0.10409164E-14 -0.13401409E-14
-0.31118299E-01 -0.93365222E-15 -0.15836509E-14 -0.18029305E-14 -0.46280510E-15
-0.65902358E-15 0.55049012E-15 0.43684877E-02 0.42292198E-15
MO 9 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.3515679
0.42992532E-16 0.79312826E-16 0.12803549E-15 0.16666417E-15 0.14221484E-15
0.49103366E-16 -0.33638851E-15 -0.15504116E-15 0.43475159E-15 0.42325022E+00
0.32452142E+00 0.16195893E+00 -0.21186711E-14 -0.16244626E-14 -0.81072068E-15
0.31852096E-15 0.24422167E-15 0.12188373E-15 -0.44831012E-15 0.22943621E-01
-0.28520655E-14 -0.17311944E-15 -0.25890548E-15 0.10780039E-02 -0.45327461E-16
-0.37838258E-16 -0.16648437E-15 -0.35671005E-15 0.35656373E-15 0.28405848E-14
-0.32004969E-01 0.46027347E-15 -0.46083976E-15 -0.84819117E-15 -0.13725334E-14
-0.18042336E-14 -0.15474807E-14 -0.52910992E-15 0.13739851E-14 0.61306947E-15
-0.18104024E-14 0.10693282E+01 0.82385976E+00 0.36171881E+00 -0.14596552E-13
-0.11245856E-13 -0.49375367E-14 -0.19854389E-13 -0.15296737E-13 -0.67160913E-14
0.45588133E-14 0.63719638E-01 -0.25630748E-14 -0.57762674E-16 -0.34971873E-15
0.11768325E-02 0.32156253E-15 0.39635969E-16 -0.12216953E-14 0.12505853E-15
-0.22736117E-14 -0.47807263E-01 0.23803807E-01 -0.11705483E-14 0.56351519E-15
0.10371688E-14 0.16783348E-14 0.22062181E-14 0.18922605E-14 0.64699599E-15
-0.17334309E-14 -0.77345349E-15 0.22840185E-14 0.10693282E+01 0.82385976E+00
0.36171881E+00 -0.11070953E-13 -0.85295724E-14 -0.37449417E-14 0.14112768E-13
0.10873127E-13 0.47738883E-14 -0.51586321E-14 0.63719638E-01 -0.24936818E-14
-0.11371921E-15 0.55393074E-15 0.11768325E-02 0.40932747E-15 0.18333847E-16
0.14023041E-14 0.11391859E-14 0.25528990E-14 0.47807263E-01 0.23803807E-01
-0.17811519E-14 0.14250971E-15 0.24172344E-15 0.27519359E-15 0.75032357E-16
0.22625231E-15 0.86480103E-02 0.11570854E-14 0.10925372E-15
MO 10 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.2088715
0.16186460E-15 0.29860858E-15 0.48204684E-15 0.62748176E-15 0.53543132E-15
0.18487157E-15 0.94603044E-15 0.43602457E-15 -0.12226584E-14 0.33879951E-14
0.25976997E-14 0.12964342E-14 -0.72908341E-01 -0.55901492E-01 -0.27898762E-01
-0.11993699E-13 -0.91960074E-14 -0.45894522E-14 0.33915210E-15 0.36801763E-16
0.95685588E-02 -0.38307992E-15 0.10074515E-14 0.22947369E-16 0.12130812E-02
0.23928569E-15 -0.35157680E-15 0.36640424E-14 -0.30475341E-14 -0.17735846E-13
0.12387032E-14 0.93730918E-01 0.32475817E-02 0.59772839E-02 0.96723736E-02
0.12714606E-01 0.10905244E-01 0.37286880E-02 0.21740825E-02 0.97007138E-03
-0.28646338E-02 -0.20180964E-12 -0.15548345E-12 -0.68265610E-13 0.89726886E+00
0.69129729E+00 0.30351674E+00 0.11078994E+01 0.85357673E+00 0.37476616E+00
-0.11070026E-01 -0.13948942E-13 0.58903491E-01 0.71329483E-01 -0.36231867E-02
-0.10058512E-14 0.27838881E-02 0.40027887E-02 0.27068274E-02 -0.14876593E-01
0.18711862E-01 0.71278538E-14 -0.34660657E-14 -0.17097552E-01 -0.32475817E-02
-0.59772839E-02 -0.96723736E-02 -0.12714606E-01 -0.10905244E-01 -0.37286880E-02
-0.21740825E-02 -0.97007138E-03 0.28646338E-02 0.23460372E-12 0.18074952E-12
0.79358773E-13 0.89726886E+00 0.69129729E+00 0.30351674E+00 -0.11078994E+01
-0.85357673E+00 -0.37476616E+00 0.11070026E-01 0.16128442E-13 0.58903491E-01
-0.71329483E-01 0.36231867E-02 0.10491727E-14 0.27838881E-02 -0.40027887E-02
-0.27068274E-02 0.14876593E-01 -0.18711862E-01 0.58494747E-14 0.21608028E-14
-0.17097552E-01 -0.26074836E-14 -0.44227857E-14 -0.50351852E-14 -0.35055129E-14
-0.89434247E-15 -0.25195570E-14 0.16181864E-02 0.20874339E-15
MO 11 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.1883276
-0.91916341E-15 -0.16956770E-14 -0.27373485E-14 -0.35632144E-14 -0.30404973E-14
-0.10498106E-14 0.33614825E-14 0.15493042E-14 -0.43444107E-14 -0.33020665E-14
-0.25318152E-14 -0.12635532E-14 -0.14816542E-13 -0.11360385E-13 -0.56696282E-14
-0.57293829E-13 -0.43929274E-13 -0.21923787E-13 0.24193504E-13 -0.34477690E-15
0.24743909E-14 -0.87598959E-14 0.24511915E-13 0.96136067E-18 0.22701680E-15
0.15171890E-14 -0.45754063E-14 0.20657721E-13 -0.17738499E-13 0.10830363E+00
-0.16024470E-15 0.13125499E-13 -0.17260972E-14 -0.31769403E-14 -0.51408891E-14
-0.67578426E-14 -0.57961624E-14 -0.19818064E-14 0.56234982E-15 0.25091939E-15
-0.74096833E-15 0.13558285E+01 0.10445928E+01 0.45863249E+00 0.14837758E-12
0.11431692E-12 0.50191287E-13 0.47994820E-12 0.36977421E-12 0.16235080E-12
0.25551546E-14 0.92788274E-01 0.16808313E-13 0.30752203E-13 -0.19442261E-13
0.64962109E-02 0.30282181E-14 -0.46354044E-16 -0.30222011E-14 -0.10210477E-13
0.22273685E-15 -0.40099335E-01 0.22392489E-01 -0.48999307E-14 -0.21761755E-14
-0.40053247E-14 -0.64813714E-14 -0.85199441E-14 -0.73075065E-14 -0.24985606E-14
-0.13635060E-16 -0.60839372E-17 0.17965948E-16 -0.13558285E+01 -0.10445928E+01
-0.45863249E+00 0.13658309E-12 0.10522991E-12 0.46201597E-13 0.14559424E-12
0.11217251E-12 0.49249775E-13 0.56860577E-14 -0.92788274E-01 0.23147249E-14
0.10382293E-13 -0.16654836E-13 -0.64962109E-02 -0.18573361E-14 -0.11933823E-14
-0.37001322E-14 -0.59396267E-14 -0.34550931E-14 -0.40099335E-01 -0.22392489E-01
0.81285579E-15 -0.12454088E-13 -0.21124490E-13 -0.24049485E-13 -0.14903127E-13
-0.11784076E-13 -0.69210390E-15 -0.35169975E-17 0.29960746E-14
MO 12 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.1853055
0.16440141E-02 0.30328851E-02 0.48960169E-02 0.63731592E-02 0.54382283E-02
0.18776895E-02 -0.32414818E-02 -0.14939960E-02 0.41893207E-02 0.10617617E-14
0.81409155E-15 0.40628874E-15 0.43777004E-15 0.33565430E-15 0.16751502E-15
-0.20485919E+00 -0.15707304E+00 -0.78390454E-01 -0.19383023E-01 0.15402398E-15
-0.22614904E-14 -0.36658076E-02 -0.18987697E-02 -0.46312070E-18 -0.13457127E-15
0.61367607E-03 -0.59317254E-02 0.63841864E-01 -0.64032243E-01 -0.27945291E-13
0.71540579E-15 0.50370806E-15 -0.52521498E-02 -0.96667594E-02 -0.15642641E-01
-0.20562690E-01 -0.17636500E-01 -0.60302188E-02 -0.56501612E-02 -0.25210909E-02
0.74448153E-02 -0.34627860E-12 -0.26678900E-12 -0.11713474E-12 0.23389523E-01
0.18020366E-01 0.79119114E-02 0.12252558E+01 0.94399358E+00 0.41446403E+00
0.12234358E-01 -0.24022089E-13 0.10768208E-02 0.82285813E-01 0.39539767E-02
-0.16303915E-14 0.38969476E-03 0.48002253E-02 -0.48315857E-02 -0.56669261E-02
0.34009425E-02 0.11162655E-13 -0.70095075E-14 -0.22149149E-01 -0.52521498E-02
-0.96667594E-02 -0.15642641E-01 -0.20562690E-01 -0.17636500E-01 -0.60302188E-02
-0.56501612E-02 -0.25210909E-02 0.74448153E-02 0.35070484E-12 0.27019917E-12
0.11863199E-12 -0.23389523E-01 -0.18020366E-01 -0.79119114E-02 0.12252558E+01
0.94399358E+00 0.41446403E+00 0.12234358E-01 0.23920700E-13 -0.10768208E-02
0.82285813E-01 0.39539767E-02 0.16340155E-14 -0.38969476E-03 0.48002253E-02
-0.48315857E-02 -0.56669261E-02 0.34009425E-02 0.93558014E-14 0.54268186E-14
0.22149149E-01 -0.46606863E-01 -0.79054060E-01 -0.90000254E-01 -0.61419635E-01
-0.48996275E-02 -0.19529193E-14 0.44206302E-16 0.94257513E-02
END DATA
THE RHF ENERGY = -188.209663369086 THE VIRIAL(-V/T)= 2.00251408