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c4h4.wfn
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Tetrahedrane 6-31G* at 6-31G* geometry 1/11/91 JRC
GAUSSIAN 14 MOL ORBITALS 128 PRIMITIVES 8 NUCLEI
C 1 (CENTRE 1) 0.97775600 0.97775600 0.97775600 CHARGE = 6.0
C 2 (CENTRE 2) -0.97775600 -0.97775600 0.97775600 CHARGE = 6.0
C 3 (CENTRE 3) 0.97775600 -0.97775600 -0.97775600 CHARGE = 6.0
C 4 (CENTRE 4) -0.97775600 0.97775600 -0.97775600 CHARGE = 6.0
H 5 (CENTRE 5) 2.13806500 2.13806500 2.13806500 CHARGE = 1.0
H 6 (CENTRE 6) -2.13806500 -2.13806500 2.13806500 CHARGE = 1.0
H 7 (CENTRE 7) 2.13806500 -2.13806500 -2.13806500 CHARGE = 1.0
H 8 (CENTRE 8) -2.13806500 2.13806500 -2.13806500 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 2 2 2 2 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 3 3 3 3
CENTRE ASSIGNMENTS 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3
CENTRE ASSIGNMENTS 3 3 3 3 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 5 5 5 5 6 6 6 6
CENTRE ASSIGNMENTS 7 7 7 7 8 8 8 8
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 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 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 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 5 6 7 8 9 10 1 1 1 1 1 1 1 1
TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1
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 0.8000000E+00 0.8000000E+00 0.8000000E+00
EXPONENTS 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.3047525E+04 0.4573695E+03
EXPONENTS 0.1039487E+03 0.2921016E+02 0.9286663E+01 0.3163927E+01 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 0.7868272E+01 0.1881289E+01
EXPONENTS 0.5442493E+00 0.1687145E+00 0.1687145E+00 0.1687145E+00 0.1687145E+00
EXPONENTS 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00
EXPONENTS 0.8000000E+00 0.3047525E+04 0.4573695E+03 0.1039487E+03 0.2921016E+02
EXPONENTS 0.9286663E+01 0.3163927E+01 0.7868272E+01 0.1881289E+01 0.5442493E+00
EXPONENTS 0.7868272E+01 0.1881289E+01 0.5442493E+00 0.7868272E+01 0.1881289E+01
EXPONENTS 0.5442493E+00 0.7868272E+01 0.1881289E+01 0.5442493E+00 0.1687145E+00
EXPONENTS 0.1687145E+00 0.1687145E+00 0.1687145E+00 0.8000000E+00 0.8000000E+00
EXPONENTS 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.3047525E+04
EXPONENTS 0.4573695E+03 0.1039487E+03 0.2921016E+02 0.9286663E+01 0.3163927E+01
EXPONENTS 0.7868272E+01 0.1881289E+01 0.5442493E+00 0.7868272E+01 0.1881289E+01
EXPONENTS 0.5442493E+00 0.7868272E+01 0.1881289E+01 0.5442493E+00 0.7868272E+01
EXPONENTS 0.1881289E+01 0.5442493E+00 0.1687145E+00 0.1687145E+00 0.1687145E+00
EXPONENTS 0.1687145E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00
EXPONENTS 0.8000000E+00 0.8000000E+00 0.1873114E+02 0.2825394E+01 0.6401217E+00
EXPONENTS 0.1612778E+00 0.1873114E+02 0.2825394E+01 0.6401217E+00 0.1612778E+00
EXPONENTS 0.1873114E+02 0.2825394E+01 0.6401217E+00 0.1612778E+00 0.1873114E+02
EXPONENTS 0.2825394E+01 0.6401217E+00 0.1612778E+00
MO 1 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -11.2380343
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0.30335721E-05 0.30335722E-05 0.30335721E-05 0.26693201E+00 0.49243743E+00
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0.49243743E+00 0.79494670E+00 0.10347844E+01 0.88298341E+00 0.30487295E+00
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0.47342827E-03 0.23627389E-03 -0.24675943E-03 -0.17853802E-03 0.17853802E-03
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-0.15244662E-03 -0.17355509E-03 -0.12370279E-03
MO 2 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -11.2364689
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0.30842764E-03 0.15392701E-03 0.39414475E-03 0.30220519E-03 0.15082157E-03
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0.49298997E-03 0.44833820E+00 0.82709643E+00 0.13351901E+01 0.17380208E+01
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0.28187755E-04 0.32090762E-04 -0.82204838E-05
MO 3 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -11.2364689
0.41906123E+00 0.77308614E+00 0.12480007E+01 0.16245261E+01 0.13862111E+01
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MO 4 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -11.2364689
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0.14632695E-03 0.16658806E-03 -0.42673790E-04
MO 5 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -1.2965995
-0.57728863E-01 -0.10649848E+00 -0.17192157E+00 -0.22379080E+00 -0.19096109E+00
-0.65934276E-01 -0.82048544E-01 -0.37816099E-01 0.10604029E+00 -0.10615075E+00
-0.81389661E-01 -0.40619145E-01 -0.10615075E+00 -0.81389661E-01 -0.40619145E-01
-0.10615075E+00 -0.81389661E-01 -0.40619145E-01 0.19143947E-01 -0.39103300E-03
-0.39103300E-03 -0.39103300E-03 0.25806563E-02 0.25806563E-02 0.25806563E-02
0.20153688E-01 0.20153688E-01 0.20153688E-01 -0.57728863E-01 -0.10649848E+00
-0.17192157E+00 -0.22379080E+00 -0.19096109E+00 -0.65934276E-01 -0.82048544E-01
-0.37816099E-01 0.10604029E+00 0.10615075E+00 0.81389661E-01 0.40619145E-01
0.10615075E+00 0.81389661E-01 0.40619145E-01 -0.10615075E+00 -0.81389661E-01
-0.40619145E-01 0.19143947E-01 0.39103300E-03 0.39103300E-03 -0.39103300E-03
0.25806563E-02 0.25806563E-02 0.25806563E-02 0.20153688E-01 -0.20153688E-01
-0.20153688E-01 -0.57728863E-01 -0.10649848E+00 -0.17192157E+00 -0.22379080E+00
-0.19096109E+00 -0.65934276E-01 -0.82048544E-01 -0.37816099E-01 0.10604029E+00
-0.10615075E+00 -0.81389661E-01 -0.40619145E-01 0.10615075E+00 0.81389661E-01
0.40619145E-01 0.10615075E+00 0.81389661E-01 0.40619145E-01 0.19143947E-01
-0.39103300E-03 0.39103300E-03 0.39103300E-03 0.25806563E-02 0.25806563E-02
0.25806563E-02 -0.20153688E-01 -0.20153688E-01 0.20153688E-01 -0.57728863E-01
-0.10649848E+00 -0.17192157E+00 -0.22379080E+00 -0.19096109E+00 -0.65934276E-01
-0.82048544E-01 -0.37816099E-01 0.10604029E+00 0.10615075E+00 0.81389661E-01
0.40619145E-01 -0.10615075E+00 -0.81389661E-01 -0.40619145E-01 0.10615075E+00
0.81389661E-01 0.40619145E-01 0.19143947E-01 0.39103300E-03 -0.39103300E-03
0.39103300E-03 0.25806563E-02 0.25806563E-02 0.25806563E-02 -0.20153688E-01
0.20153688E-01 -0.20153688E-01 0.44775954E-02 0.75948493E-02 0.86464675E-02
-0.11533665E-02 0.44775954E-02 0.75948493E-02 0.86464675E-02 -0.11533665E-02
0.44775954E-02 0.75948493E-02 0.86464675E-02 -0.11533665E-02 0.44775954E-02
0.75948493E-02 0.86464675E-02 -0.11533665E-02
MO 6 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.8053912
-0.96389409E-02 -0.17781964E-01 -0.28705603E-01 -0.37366166E-01 -0.31884617E-01
-0.11008992E-01 -0.13914564E-01 -0.64132098E-02 0.17983310E-01 -0.11652462E+00
-0.89343685E-01 -0.44588761E-01 -0.18258901E-01 -0.13999767E-01 -0.69868648E-02
0.16412115E+00 0.12583769E+00 0.62801825E-01 0.76330712E-02 -0.37176846E-02
-0.66911543E-03 0.49889942E-02 0.12085810E-01 0.31759623E-02 -0.13360614E-01
0.24911443E-01 -0.13498814E-02 -0.15499389E-01 -0.69432276E-01 -0.12808899E+00
-0.20677535E+00 -0.26916006E+00 -0.22967477E+00 -0.79301179E-01 -0.10023091E+00
-0.46196336E-01 0.12953935E+00 -0.84750158E-01 -0.64981046E-01 -0.32430096E-01
0.13515558E-01 0.10362872E-01 0.51717996E-02 0.14009343E+00 0.10741476E+00
0.53607492E-01 0.54983376E-01 -0.18898018E-02 0.11587674E-02 0.36067566E-02
0.32676048E-02 0.12177453E-01 -0.17504234E-02 0.29387282E-01 -0.72687689E-02
-0.21418276E-01 0.62661333E-01 0.11559792E+00 0.18661089E+00 0.24291193E+00
0.20727719E+00 0.71567833E-01 0.90456527E-01 0.41691331E-01 -0.11690684E+00
-0.87471035E-01 -0.67067242E-01 -0.33471254E-01 -0.39565741E-01 -0.30336500E-01
-0.15140040E-01 0.14281431E+00 0.10950095E+00 0.54648650E-01 -0.49621470E-01
-0.20463252E-02 -0.18948297E-02 0.37632800E-02 -0.19528773E-02 -0.13471425E-01
0.30651509E-02 0.28880442E-01 0.26191175E-02 -0.20911436E-01 0.16409884E-01
0.30273032E-01 0.48870060E-01 0.63614298E-01 0.54282196E-01 0.18742338E-01
0.23688949E-01 0.10918215E-01 -0.30615815E-01 -0.11924549E+00 -0.91429881E-01
-0.45629919E-01 -0.77912824E-02 -0.59738611E-02 -0.29813754E-02 0.16140027E+00
0.12375149E+00 0.61760667E-01 -0.12994977E-01 -0.38742080E-02 -0.66946879E-04
0.48324709E-02 -0.13400538E-01 -0.18819898E-02 0.12045886E-01 0.25418283E-01
-0.32997700E-02 -0.14992549E-01 0.48009308E-02 0.81432872E-02 0.92708447E-02
0.18997559E-02 0.34582591E-01 0.58658619E-01 0.66780765E-01 0.13684530E-01
-0.31210142E-01 -0.52938309E-01 -0.60268393E-01 -0.12350033E-01 -0.81733791E-02
-0.13863598E-01 -0.15783216E-01 -0.32342531E-02
MO 7 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.8053912
-0.74474309E-01 -0.13739056E+00 -0.22179096E+00 -0.28870593E+00 -0.24635329E+00
-0.85059872E-01 -0.10750948E+00 -0.49551022E-01 0.13894624E+00 0.13361497E+00
0.10244749E+00 0.51128476E-01 0.99095615E-02 0.75980232E-02 0.37919461E-02
0.83149717E-01 0.63753929E-01 0.31817679E-01 0.58976159E-01 0.33520723E-02
-0.48573120E-03 0.17864517E-02 -0.36770411E-03 0.10848786E-01 0.42080297E-02
0.21856993E-01 0.11310974E-01 0.29123602E-01 0.21251560E-01 0.39204978E-01
0.63288991E-01 0.82383461E-01 0.70297957E-01 0.24272195E-01 0.30678286E-01
0.14139594E-01 -0.39648898E-01 0.15500233E+00 0.11884595E+00 0.59312459E-01
0.31296915E-01 0.23996489E-01 0.11975930E-01 0.12161678E+00 0.93248035E-01
0.46537305E-01 -0.16829097E-01 0.45824182E-02 0.74461472E-03 0.39993388E-02
0.10702071E-01 -0.51441884E-03 -0.14379252E-01 0.14691419E-01 0.73269772E-02
0.25139605E-01 -0.25012937E-02 -0.46143984E-02 -0.74490698E-02 -0.96964755E-02
-0.82740201E-02 -0.28568203E-02 -0.36108127E-02 -0.16642203E-02 0.46666474E-02
0.16253705E+00 0.12462310E+00 0.62195660E-01 0.40841906E-01 0.31314983E-01
0.15628371E-01 0.11408206E+00 0.87470888E-01 0.43654104E-01 0.19807729E-02
0.50158666E-02 0.12937075E-02 0.35658904E-02 -0.14342847E-01 0.40977199E-02
0.10738476E-01 0.16094973E-01 0.55489539E-02 0.23736051E-01 0.55724043E-01
0.10279998E+00 0.16595104E+00 0.21601895E+00 0.18432936E+00 0.63644498E-01
0.80442008E-01 0.37075648E-01 -0.10396399E+00 0.14114969E+00 0.10822463E+00
0.54011676E-01 0.62229259E-01 0.47713449E-01 0.23812355E-01 0.90684438E-01
0.69531075E-01 0.34700880E-01 -0.44127835E-01 0.37855206E-02 0.25240534E-02
0.22199001E-02 0.40084805E-02 -0.14432087E-01 -0.56725327E-03 0.20453439E-01
0.15649572E-02 0.27720048E-01 0.37093910E-01 0.62918292E-01 0.71630251E-01
0.14678273E-01 -0.10584904E-01 -0.17954001E-01 -0.20439996E-01 -0.41885076E-02
0.12458358E-02 0.21131733E-02 0.24057731E-02 0.49298440E-03 -0.27754841E-01
-0.47077464E-01 -0.53596028E-01 -0.10982750E-01
MO 8 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.8053912
-0.34536587E-01 -0.63713259E-01 -0.10285295E+00 -0.13388399E+00 -0.11424345E+00
-0.39445517E-01 -0.49856260E-01 -0.22978705E-01 0.64434686E-01 -0.54903460E-01
-0.42096491E-01 -0.21009099E-01 0.18442817E+00 0.14140782E+00 0.70572415E-01
-0.24407188E-01 -0.18713884E-01 -0.93395396E-02 0.27349501E-01 -0.20711301E-02
0.53538302E-02 -0.11250220E-02 0.10425820E-01 -0.11274611E-01 0.76606938E-02
0.10691756E-02 0.31139861E-01 -0.33220531E-02 0.39492253E-01 0.72855495E-01
0.11761136E+00 0.15309504E+00 0.13063628E+00 0.45105567E-01 0.57010151E-01
0.26275926E-01 -0.73680441E-01 -0.56894875E-01 -0.43623381E-01 -0.21771125E-01
0.18243676E+00 0.13988093E+00 0.69810389E-01 0.53410106E-02 0.40951482E-02
0.20437659E-02 -0.31273890E-01 -0.21856899E-02 0.52392704E-02 0.58629661E-03
-0.11388072E-01 0.10312360E-01 -0.67136329E-02 -0.44722640E-02 0.31510818E-01
-0.29510959E-02 0.53846158E-01 0.99335647E-01 0.16035853E+00 0.20873916E+00
0.17811751E+00 0.61499695E-01 0.77731134E-01 0.35826208E-01 -0.10046043E+00
-0.19387201E-01 -0.14864876E-01 -0.74186149E-02 0.17666870E+00 0.13545835E+00
0.67603210E-01 -0.32166663E-01 -0.24663357E-01 -0.12308744E-01 -0.42640739E-01
-0.27993513E-04 0.49074524E-02 -0.15713997E-02 -0.67356325E-02 0.75252335E-02
-0.11410071E-01 0.25145963E-02 0.32585282E-01 -0.99379563E-02 -0.58801824E-01
-0.10847788E+00 -0.17511694E+00 -0.22795022E+00 -0.19451034E+00 -0.67159745E-01
-0.84885025E-01 -0.39123430E-01 0.10970618E+00 -0.17395786E-01 -0.13337985E-01
-0.66565894E-02 0.17467728E+00 0.13393146E+00 0.66841185E-01 0.13100486E-01
0.10044622E-01 0.50129702E-02 0.46565127E-01 0.86566212E-04 0.47928927E-02
0.10326744E-02 0.76978840E-02 -0.65629820E-02 0.10463011E-01 -0.59176848E-02
0.32956239E-01 -0.10308913E-01 0.17201865E-01 0.29177619E-01 0.33217688E-01
0.68068770E-02 -0.19670166E-01 -0.33364325E-01 -0.37984105E-01 -0.77835980E-02
-0.26819510E-01 -0.45490966E-01 -0.51789856E-01 -0.10612635E-01 0.29287812E-01
0.49677672E-01 0.56556273E-01 0.11589356E-01
MO 9 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.7096543
-0.16783389E-01 -0.30962076E-01 -0.49982391E-01 -0.65062221E-01 -0.55517711E-01
-0.19168932E-01 -0.23164280E-01 -0.10676395E-01 0.29937727E-01 0.17449554E+00
0.13379211E+00 0.66771640E-01 0.17449554E+00 0.13379211E+00 0.66771640E-01
0.17449554E+00 0.13379211E+00 0.66771640E-01 0.19011742E-01 0.65481182E-02
0.65481182E-02 0.65481182E-02 0.30838012E-02 0.30838012E-02 0.30838012E-02
-0.23251198E-02 -0.23251198E-02 -0.23251198E-02 -0.16783389E-01 -0.30962076E-01
-0.49982391E-01 -0.65062221E-01 -0.55517711E-01 -0.19168932E-01 -0.23164280E-01
-0.10676395E-01 0.29937727E-01 -0.17449554E+00 -0.13379211E+00 -0.66771640E-01
-0.17449554E+00 -0.13379211E+00 -0.66771640E-01 0.17449554E+00 0.13379211E+00
0.66771640E-01 0.19011742E-01 -0.65481182E-02 -0.65481182E-02 0.65481182E-02
0.30838012E-02 0.30838012E-02 0.30838012E-02 -0.23251198E-02 0.23251198E-02
0.23251198E-02 -0.16783389E-01 -0.30962076E-01 -0.49982391E-01 -0.65062221E-01
-0.55517711E-01 -0.19168932E-01 -0.23164280E-01 -0.10676395E-01 0.29937727E-01
0.17449554E+00 0.13379211E+00 0.66771640E-01 -0.17449554E+00 -0.13379211E+00
-0.66771640E-01 -0.17449554E+00 -0.13379211E+00 -0.66771640E-01 0.19011742E-01
0.65481182E-02 -0.65481182E-02 -0.65481182E-02 0.30838012E-02 0.30838012E-02
0.30838012E-02 0.23251198E-02 0.23251198E-02 -0.23251198E-02 -0.16783389E-01
-0.30962076E-01 -0.49982391E-01 -0.65062221E-01 -0.55517711E-01 -0.19168932E-01
-0.23164280E-01 -0.10676395E-01 0.29937727E-01 -0.17449554E+00 -0.13379211E+00
-0.66771640E-01 0.17449554E+00 0.13379211E+00 0.66771640E-01 -0.17449554E+00
-0.13379211E+00 -0.66771640E-01 0.19011742E-01 -0.65481182E-02 0.65481182E-02
-0.65481182E-02 0.30838012E-02 0.30838012E-02 0.30838012E-02 0.23251198E-02
-0.23251198E-02 0.23251198E-02 0.31940020E-01 0.54176319E-01 0.61677824E-01
0.14962780E-01 0.31940020E-01 0.54176319E-01 0.61677824E-01 0.14962780E-01
0.31940020E-01 0.54176319E-01 0.61677824E-01 0.14962780E-01 0.31940020E-01
0.54176319E-01 0.61677824E-01 0.14962780E-01
MO 10 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.5340742
0.20525814E-02 0.37866118E-02 0.61127655E-02 0.79570044E-02 0.67897263E-02
0.23443293E-02 0.31345534E-02 0.14447128E-02 -0.40511255E-02 0.25602753E+00
0.19630567E+00 0.97970288E-01 0.24662185E+00 0.18909399E+00 0.94371155E-01
-0.93560206E-01 -0.71736032E-01 -0.35801308E-01 -0.11031654E-01 0.15958983E-01
0.15481969E-01 -0.17705431E-02 -0.12066960E-01 -0.11144779E-01 0.22208400E-01
-0.39594607E-02 0.22729481E-01 0.23467402E-01 0.20410881E-02 0.37654090E-02
0.60785376E-02 0.79124499E-02 0.67517078E-02 0.23312025E-02 0.31170018E-02
0.14366233E-02 -0.40284416E-02 -0.24618151E+00 -0.18875637E+00 -0.94202657E-01
-0.25558719E+00 -0.19596805E+00 -0.97801791E-01 -0.94970192E-01 -0.72817119E-01
-0.36340846E-01 -0.10969883E-01 -0.15442982E-01 -0.15919996E-01 -0.18587063E-02
-0.11174596E-01 -0.12096777E-01 0.22273652E-01 -0.40890114E-02 -0.23413925E-01
-0.22676004E-01 -0.21025775E-02 -0.38788450E-02 -0.62616585E-02 -0.81508188E-02
-0.69551085E-02 -0.24014318E-02 -0.32109040E-02 -0.14799027E-02 0.41498016E-02
-0.25372500E+00 -0.19454024E+00 -0.97089213E-01 0.25275535E+00 0.19379677E+00
0.96718172E-01 -0.87426704E-01 -0.67033251E-01 -0.33454290E-01 0.11300360E-01
-0.15914659E-01 0.15865483E-01 -0.13870295E-02 0.11523699E-01 0.11428629E-01
-0.21924550E-01 -0.33959091E-02 0.23293032E-01 -0.23369106E-01 -0.19910919E-02
-0.36731758E-02 -0.59296447E-02 -0.77186355E-02 -0.65863257E-02 -0.22741000E-02
-0.30406512E-02 -0.14014334E-02 0.39297655E-02 0.24848404E+00 0.19052180E+00
0.95083733E-01 -0.24945369E+00 -0.19126527E+00 -0.95454774E-01 -0.10110369E+00
-0.77519900E-01 -0.38687863E-01 0.10701177E-01 0.15487306E-01 -0.15536482E-01
-0.22422199E-02 0.11717858E-01 0.11812927E-01 -0.22557503E-01 -0.46525630E-02
-0.22850374E-01 0.22774300E-01 0.25401252E-01 0.43085330E-01 0.49051126E-01
0.15391510E-01 0.25259019E-01 0.42844078E-01 0.48776468E-01 0.15305326E-01
-0.26019968E-01 -0.44134790E-01 -0.50245899E-01 -0.15766412E-01 -0.24640303E-01
-0.41794618E-01 -0.47581695E-01 -0.14930424E-01
MO 11 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.5340742
0.28913561E-02 0.53339874E-02 0.86107096E-02 0.11208585E-01 0.95643062E-02
0.33023251E-02 0.44154694E-02 0.20350858E-02 -0.57065930E-02 0.10575234E+00
0.81084189E-01 0.40466693E-01 0.11524226E+00 0.88360457E-01 0.44098061E-01
0.35526634E+00 0.27239570E+00 0.13594454E+00 -0.15539672E-01 0.95531729E-02
0.10034459E-01 0.22207407E-01 0.79935715E-02 0.70631316E-02 -0.16470051E-01
0.32634712E-01 0.13803652E-01 0.13059122E-01 -0.28979513E-02 -0.53461544E-02
-0.86303508E-02 -0.11234152E-01 -0.95861226E-02 -0.33098578E-02 -0.44255412E-02
-0.20397279E-02 0.57196099E-02 0.10656145E+00 0.81704558E-01 0.40776301E-01
0.11605136E+00 0.88980825E-01 0.44407668E-01 -0.35496261E+00 -0.27216281E+00
-0.13582832E+00 0.15575118E-01 0.96037642E-02 0.10085050E-01 -0.22201560E-01
-0.79561273E-02 -0.70256874E-02 0.16398386E-01 -0.32621745E-01 0.13877993E-01
0.13133463E-01 0.59539660E-04 0.10983905E-03 0.17731428E-03 0.23081051E-03
0.19695102E-03 0.68002455E-04 0.90924652E-04 0.41907089E-04 -0.11751185E-03
-0.24165329E+00 -0.18528441E+00 -0.92469909E-01 -0.24677195E+00 -0.18920908E+00
-0.94428593E-01 -0.67478710E-02 -0.51738395E-02 -0.25821085E-02 -0.31999751E-03
-0.12169294E-01 -0.12601449E-01 -0.42850123E-03 0.24071035E-01 -0.23816661E-01
-0.28347844E-03 -0.62747080E-03 -0.19458531E-01 -0.18860812E-01 -0.52944403E-04
-0.97672085E-04 -0.15767303E-03 -0.20524344E-03 -0.17513460E-03 -0.60469767E-04
-0.80852853E-04 -0.37265006E-04 0.10449497E-03 -0.24246239E+00 -0.18590478E+00
-0.92779516E-01 -0.24596285E+00 -0.18858871E+00 -0.94118985E-01 0.70516099E-02
0.54067272E-02 0.26983358E-02 0.28455113E-03 -0.12219886E-01 -0.12550858E-01
0.43434826E-03 -0.24108479E-01 0.23779216E-01 0.35514290E-03 0.64043758E-03
-0.19384190E-01 -0.18935153E-01 0.35781317E-01 0.60691885E-01 0.69095566E-01
0.21681156E-01 -0.35862935E-01 -0.60830325E-01 -0.69253175E-01 -0.21730611E-01
0.73681946E-03 0.12497853E-02 0.14228363E-02 0.44646477E-03 -0.65520136E-03
-0.11113455E-02 -0.12652276E-02 -0.39700950E-03
MO 12 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.5340742
0.16654145E-04 0.30723645E-04 0.49597490E-04 0.64561195E-04 0.55090184E-04
0.19021317E-04 0.25433003E-04 0.11722048E-04 -0.32869845E-04 0.24147428E+00
0.18514716E+00 0.92401409E-01 -0.24686103E+00 -0.18927738E+00 -0.94462677E-01
0.87059979E-02 0.66752070E-02 0.33313961E-02 -0.89508152E-04 0.12270629E-01
-0.12495553E-01 0.46566292E-03 -0.23569602E-01 0.24309276E-01 -0.74781523E-03
0.71045894E-03 -0.19340021E-01 0.18972266E-01 -0.95629266E-04 -0.17641732E-03
-0.28479226E-03 -0.37071490E-03 -0.31633170E-03 -0.10922173E-03 -0.14603808E-03
-0.67308819E-04 0.18874095E-03 0.25116290E+00 0.19257578E+00 0.96108812E-01
-0.23717240E+00 -0.18184876E+00 -0.90755274E-01 -0.50688672E-02 -0.38864859E-02
-0.19396288E-02 0.51396208E-03 0.12876436E-01 -0.11889746E-01 -0.39564740E-03
0.24017978E-01 -0.23860900E-01 -0.11033307E-03 -0.55518772E-03 -0.18449821E-01
0.19862465E-01 -0.28546331E-02 -0.52662407E-02 -0.85013454E-02 -0.11066226E-01
-0.94428305E-02 -0.32603824E-02 -0.43593888E-02 -0.20092383E-02 0.56341139E-02
-0.11077362E+00 -0.84934183E-01 -0.42388110E-01 0.10130063E+00 0.77670895E-01
0.38763220E-01 0.35686765E+00 0.27362348E+00 0.13655729E+00 0.15342303E-01
-0.97546139E-02 0.92741862E-02 0.22235402E-01 -0.72680448E-02 -0.81968249E-02
0.16860266E-01 0.32699856E-01 0.12649376E-01 -0.13392579E-01 0.29336083E-02
0.54119344E-02 0.87365402E-02 0.11372379E-01 0.97040720E-02 0.33505829E-02
0.44799939E-02 0.20648251E-02 -0.57899850E-02 -0.12046224E+00 -0.92362804E-01
-0.46095513E-01 0.11098925E+00 0.85099516E-01 0.42470623E-01 -0.35323052E+00
-0.27083476E+00 -0.13516553E+00 -0.15766757E-01 -0.10360421E-01 0.98799933E-02
-0.22165387E-01 0.68196684E-02 0.77484485E-02 -0.16002118E-01 -0.32544585E-01
0.13539576E-01 -0.14282778E-01 0.20609956E-03 0.34958387E-03 0.39798888E-03
0.12488296E-03 -0.11834381E-02 -0.20073351E-02 -0.22852800E-02 -0.71708670E-03
-0.35326860E-01 -0.59921041E-01 -0.68217988E-01 -0.21405784E-01 0.36304199E-01
0.61578793E-01 0.70105279E-01 0.21997988E-01
MO 13 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.3317291
-0.36495206E-14 -0.67326530E-14 -0.10868589E-13 -0.14147674E-13 -0.12072236E-13
-0.41682530E-14 -0.18851650E-14 -0.86887083E-15 0.24364045E-14 -0.63288358E-01
-0.48525499E-01 -0.24217625E-01 -0.24830844E+00 -0.19038716E+00 -0.95016539E-01
0.31159680E+00 0.23891266E+00 0.11923416E+00 0.65142744E-13 -0.59376216E-02
-0.23295936E-01 0.29233558E-01 -0.74388283E-03 -0.29185840E-02 0.36624668E-02
0.38365817E-01 -0.30573344E-01 -0.77924727E-02 -0.20221178E-14 -0.37304124E-14
-0.60220424E-14 -0.78389098E-14 -0.66889560E-14 -0.23095357E-14 -0.88316400E-14
-0.40704948E-14 0.11414092E-13 0.63288358E-01 0.48525499E-01 0.24217625E-01
0.24830844E+00 0.19038716E+00 0.95016539E-01 0.31159680E+00 0.23891266E+00
0.11923416E+00 0.34430177E-13 0.59376216E-02 0.23295936E-01 0.29233558E-01
-0.74388283E-03 -0.29185840E-02 0.36624668E-02 0.38365817E-01 0.30573344E-01
0.77924727E-02 0.57685046E-16 0.10641765E-15 0.17179108E-15 0.22362094E-15
0.19081615E-15 0.65884232E-16 -0.14807045E-13 -0.68245535E-14 0.19136760E-13
-0.63288358E-01 -0.48525499E-01 -0.24217625E-01 0.24830844E+00 0.19038716E+00
0.95016539E-01 -0.31159680E+00 -0.23891266E+00 -0.11923416E+00 0.55760697E-14
-0.59376216E-02 0.23295936E-01 -0.29233558E-01 -0.74388283E-03 -0.29185840E-02
0.36624668E-02 -0.38365817E-01 0.30573344E-01 -0.77924727E-02 -0.15149400E-14
-0.27947685E-14 -0.45116230E-14 -0.58727926E-14 -0.50112645E-14 -0.17302692E-14
-0.70233960E-14 -0.32370768E-14 0.90771012E-14 0.63288358E-01 0.48525499E-01
0.24217625E-01 -0.24830844E+00 -0.19038716E+00 -0.95016539E-01 -0.31159680E+00
-0.23891266E+00 -0.11923416E+00 0.36183546E-13 0.59376216E-02 -0.23295936E-01
-0.29233558E-01 -0.74388283E-03 -0.29185840E-02 0.36624668E-02 -0.38365817E-01
-0.30573344E-01 0.77924727E-02 -0.55690635E-15 -0.94461857E-15 -0.10754149E-14
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-0.21509864E-14 -0.24488220E-14 -0.35763604E-13
MO 14 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.3317291
0.39348459E-14 0.72590224E-14 0.11718313E-13 0.15253762E-13 0.13016062E-13
0.44941335E-14 0.47891249E-13 0.22073033E-13 -0.61895088E-13 0.32326144E+00
0.24785637E+00 0.12369770E+00 -0.21644005E+00 -0.16595250E+00 -0.82821928E-01
-0.10682140E+00 -0.81903871E-01 -0.40875772E-01 -0.34844584E-13 0.30327918E-01
-0.20306090E-01 -0.10021828E-01 0.37995714E-02 -0.25440071E-02 -0.12555643E-02
-0.13152542E-01 -0.26649501E-01 0.39802043E-01 0.38265503E-14 0.70592381E-14
0.11395799E-13 0.14833944E-13 0.12657832E-13 0.43704451E-14 0.48856706E-13
0.22518011E-13 -0.63142854E-13 -0.32326144E+00 -0.24785637E+00 -0.12369770E+00
0.21644005E+00 0.16595250E+00 0.82821928E-01 -0.10682140E+00 -0.81903871E-01
-0.40875772E-01 -0.33404032E-13 -0.30327918E-01 0.20306090E-01 -0.10021828E-01
0.37995714E-02 -0.25440071E-02 -0.12555643E-02 -0.13152542E-01 0.26649501E-01
-0.39802043E-01 0.31654048E-14 0.58395537E-14 0.94268504E-14 0.12270958E-13
0.10470831E-13 0.36153263E-14 0.47551396E-13 0.21916395E-13 -0.61455859E-13
0.32326144E+00 0.24785637E+00 0.12369770E+00 0.21644005E+00 0.16595250E+00
0.82821928E-01 0.10682140E+00 0.81903871E-01 0.40875772E-01 -0.33164406E-13
0.30327918E-01 0.20306090E-01 0.10021828E-01 0.37995714E-02 -0.25440071E-02
-0.12555643E-02 0.13152542E-01 0.26649501E-01 0.39802043E-01 0.37820742E-14
0.69771885E-14 0.11263346E-13 0.14661529E-13 0.12510709E-13 0.43196473E-14
0.44902243E-13 0.20695403E-13 -0.58032070E-13 -0.32326144E+00 -0.24785637E+00
-0.12369770E+00 -0.21644005E+00 -0.16595250E+00 -0.82821928E-01 0.10682140E+00
0.81903871E-01 0.40875772E-01 -0.44495561E-13 -0.30327918E-01 -0.20306090E-01
0.10021828E-01 0.37995714E-02 -0.25440071E-02 -0.12555643E-02 0.13152542E-01
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0.42081563E-13 -0.12518890E-14 -0.21234406E-14 -0.24174621E-14 0.41194256E-13
-0.79033825E-15 -0.13405633E-14 -0.15261839E-14 0.42572468E-13 -0.11195100E-14
-0.18989009E-14 -0.21618315E-14 0.38501656E-13
END DATA
THE RHF ENERGY = -153.597882732801 THE VIRIAL(-V/T)= 2.00054039