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1701 lines
64 KiB
Text
1701 lines
64 KiB
Text
# $Id$
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basis "H_aug-cc-pv5z_pt_sf_lc" SPHERICAL
|
|
H s
|
|
4.0200000E+02 2.79717006163E-04
|
|
6.0240000E+01 2.16631837014E-03
|
|
1.3730000E+01 1.12037817793E-02
|
|
3.9050000E+00 4.48824002838E-02
|
|
1.2830000E+00 1.42305441064E-01
|
|
4.6550000E-01 3.30980908173E-01
|
|
1.8110000E-01 4.36258618945E-01
|
|
7.2790000E-02 1.76432014743E-01
|
|
H s
|
|
1.2830000E+00 9.99974383048E-01
|
|
H s
|
|
4.6550000E-01 9.99990704784E-01
|
|
H s
|
|
1.8110000E-01 9.99996383639E-01
|
|
H s
|
|
7.2790000E-02 9.99998546449E-01
|
|
H s
|
|
2.0700000E-02 9.99999586637E-01
|
|
H p
|
|
4.5160000E+00 9.99849822163E-01
|
|
H p
|
|
1.7120000E+00 9.99943038893E-01
|
|
H p
|
|
6.4900000E-01 9.99978402482E-01
|
|
H p
|
|
2.4600000E-01 9.99991812972E-01
|
|
H p
|
|
7.4400000E-02 9.99997523845E-01
|
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H d
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|
2.9500000E+00 9.99862648749E-01
|
|
H d
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1.2060000E+00 9.99943823862E-01
|
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H d
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4.9300000E-01 9.99977031596E-01
|
|
H d
|
|
1.5600000E-01 9.99992731480E-01
|
|
H f
|
|
8.7500000E-01 9.99947595798E-01
|
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H f
|
|
2.5060000E+00 9.99849994944E-01
|
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H f
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2.7400000E-01 9.99983586749E-01
|
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H g
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2.3580000E+00 9.99827509546E-01
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H g
|
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5.4300000E-01 9.99960249894E-01
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end
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basis "He_aug-cc-pv5z_pt_sf_lc" SPHERICAL
|
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He s
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1.1450000E+03 3.59819205698E-04
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1.7170000E+02 2.77464401056E-03
|
|
3.9070000E+01 1.42597792661E-02
|
|
1.1040000E+01 5.55816766044E-02
|
|
3.5660000E+00 1.62106364667E-01
|
|
1.2400000E+00 3.32197066087E-01
|
|
4.4730000E-01 4.19591327700E-01
|
|
1.6400000E-01 1.86104364129E-01
|
|
He s
|
|
3.5660000E+00 9.99928817494E-01
|
|
He s
|
|
1.2400000E+00 9.99975241488E-01
|
|
He s
|
|
4.4730000E-01 9.99991068188E-01
|
|
He s
|
|
1.6400000E-01 9.99996725100E-01
|
|
He s
|
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4.6640000E-02 9.99999068638E-01
|
|
He p
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1.0153000E+01 9.99662713517E-01
|
|
He p
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3.6270000E+00 9.99879365904E-01
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|
He p
|
|
1.2960000E+00 9.99956876627E-01
|
|
He p
|
|
4.6300000E-01 9.99984591693E-01
|
|
He p
|
|
1.4000000E-01 9.99995340625E-01
|
|
He d
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7.6660000E+00 9.99643503351E-01
|
|
He d
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|
2.6470000E+00 9.99876746790E-01
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|
He d
|
|
9.1400000E-01 9.99957422196E-01
|
|
He d
|
|
2.8920000E-01 9.99986525741E-01
|
|
He f
|
|
5.4110000E+00 9.99676415760E-01
|
|
He f
|
|
1.7070000E+00 9.99897794896E-01
|
|
He f
|
|
5.3450000E-01 9.99967984929E-01
|
|
He g
|
|
3.4300000E+00 9.99749199629E-01
|
|
He g
|
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7.8990000E-01 9.99942181422E-01
|
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end
|
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basis "B_aug-cc-pv5z_pt_sf_lc" SPHERICAL
|
|
B s
|
|
6.8260000E+04 2.53942262629E-05 -5.12554364093E-06
|
|
1.0230000E+04 1.89451626399E-04 -3.83536984795E-05
|
|
2.3280000E+03 9.82334402692E-04 -1.98173754262E-04
|
|
6.6040000E+02 4.08392437977E-03 -8.30323978042E-04
|
|
2.1620000E+02 1.44551079264E-02 -2.93603894545E-03
|
|
7.8600000E+01 4.39950680415E-02 -9.16317183317E-03
|
|
3.0980000E+01 1.13172438976E-01 -2.41437747431E-02
|
|
1.2960000E+01 2.33891038395E-01 -5.48021061814E-02
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|
5.6590000E+00 3.53871511714E-01 -9.69609670118E-02
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|
2.5560000E+00 3.01330281800E-01 -1.37447817065E-01
|
|
1.1750000E+00 8.74214179248E-02 -4.43117684093E-02
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|
4.2490000E-01 2.81459443427E-03 3.24633195047E-01
|
|
1.7120000E-01 4.26814582360E-05 5.70310610878E-01
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|
6.9130000E-02 7.80512905156E-05 2.43144691026E-01
|
|
B s
|
|
1.1750000E+00 9.99976539146E-01
|
|
B s
|
|
4.2490000E-01 9.99991515457E-01
|
|
B s
|
|
1.7120000E-01 9.99996581327E-01
|
|
B s
|
|
6.9130000E-02 9.99998619535E-01
|
|
B s
|
|
2.6100000E-02 9.99999478804E-01
|
|
B p
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|
6.6440000E+01 8.43814188859E-04
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1.5710000E+01 6.41745070046E-03
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|
4.9360000E+00 2.80895461984E-02
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|
1.7700000E+00 9.21475099264E-02
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|
7.0080000E-01 2.24122113121E-01
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2.9010000E-01 3.69850140331E-01
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1.2110000E-01 3.74458217779E-01
|
|
4.9730000E-02 1.39192296627E-01
|
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B p
|
|
7.0080000E-01 9.99976678895E-01
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|
B p
|
|
2.9010000E-01 9.99990345375E-01
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|
B p
|
|
1.2110000E-01 9.99995969627E-01
|
|
B p
|
|
4.9730000E-02 9.99998344896E-01
|
|
B p
|
|
1.5700000E-02 9.99999477473E-01
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B d
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2.0100000E+00 9.99906392382E-01
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B d
|
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7.9600000E-01 9.99962917991E-01
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|
B d
|
|
3.1600000E-01 9.99985277191E-01
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B d
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1.2500000E-01 9.99994175819E-01
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B d
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4.3100000E-02 9.99997991780E-01
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B f
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1.2150000E+00 9.99927241171E-01
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B f
|
|
5.2500000E-01 9.99968553854E-01
|
|
B f
|
|
2.2700000E-01 9.99986401950E-01
|
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B f
|
|
8.4300000E-02 9.99994949914E-01
|
|
B g
|
|
1.1240000E+00 9.99917737254E-01
|
|
B g
|
|
4.6100000E-01 9.99966251558E-01
|
|
B g
|
|
2.0200000E-01 9.99985210637E-01
|
|
B h
|
|
8.3400000E-01 9.99927859725E-01
|
|
B h
|
|
3.8400000E-01 9.99966777222E-01
|
|
end
|
|
basis "C_aug-cc-pv5z_pt_sf_lc" SPHERICAL
|
|
C s
|
|
9.6770000E+04 2.68886256912E-05 -5.74442446158E-06
|
|
1.4500000E+04 1.97333076425E-04 -4.22634480339E-05
|
|
3.3000000E+03 1.01795162008E-03 -2.17430137918E-04
|
|
9.3580000E+02 4.22508218867E-03 -9.08762844110E-04
|
|
3.0620000E+02 1.49436259794E-02 -3.21666507635E-03
|
|
1.1130000E+02 4.54430774214E-02 -1.00267953117E-02
|
|
4.3900000E+01 1.16679634502E-01 -2.65074190626E-02
|
|
1.8400000E+01 2.40353760856E-01 -6.02323130647E-02
|
|
8.0540000E+00 3.58683502146E-01 -1.07171943949E-01
|
|
3.6370000E+00 2.93648793514E-01 -1.44537922167E-01
|
|
1.6560000E+00 7.74626165150E-02 -2.41704636121E-02
|
|
6.3330000E-01 2.28357679812E-03 3.52356418299E-01
|
|
2.5450000E-01 5.02925534083E-04 5.58575429701E-01
|
|
1.0190000E-01 3.53882967735E-05 2.24878064893E-01
|
|
C s
|
|
1.6560000E+00 9.99966936918E-01
|
|
C s
|
|
6.3330000E-01 9.99987354347E-01
|
|
C s
|
|
2.5450000E-01 9.99994917965E-01
|
|
C s
|
|
1.0190000E-01 9.99997965155E-01
|
|
C s
|
|
3.9400000E-02 9.99999213215E-01
|
|
C p
|
|
1.0180000E+02 8.92923810885E-04
|
|
2.4040000E+01 6.93856199568E-03
|
|
7.5710000E+00 3.14711412530E-02
|
|
2.7320000E+00 1.03518247738E-01
|
|
1.0850000E+00 2.38499440606E-01
|
|
4.4960000E-01 3.64027423687E-01
|
|
1.8760000E-01 3.54087854096E-01
|
|
7.6060000E-02 1.48354394688E-01
|
|
C p
|
|
1.0850000E+00 9.99963896091E-01
|
|
C p
|
|
4.4960000E-01 9.99985037599E-01
|
|
C p
|
|
1.8760000E-01 9.99993756492E-01
|
|
C p
|
|
7.6060000E-02 9.99997468599E-01
|
|
C p
|
|
2.7200000E-02 9.99999094731E-01
|
|
C d
|
|
3.1340000E+00 9.99854088629E-01
|
|
C d
|
|
1.2330000E+00 9.99942566584E-01
|
|
C d
|
|
4.8500000E-01 9.99977404262E-01
|
|
C d
|
|
1.9100000E-01 9.99991100802E-01
|
|
C d
|
|
7.0100000E-02 9.99996733753E-01
|
|
C f
|
|
2.0060000E+00 9.99879904360E-01
|
|
C f
|
|
8.3800000E-01 9.99949811136E-01
|
|
C f
|
|
3.5000000E-01 9.99979034694E-01
|
|
C f
|
|
1.3800000E-01 9.99991733102E-01
|
|
C g
|
|
1.7530000E+00 9.99871734789E-01
|
|
C g
|
|
6.7800000E-01 9.99950369968E-01
|
|
C g
|
|
3.1900000E-01 9.99976645622E-01
|
|
C h
|
|
1.2590000E+00 9.99891119606E-01
|
|
C h
|
|
5.8600000E-01 9.99949305529E-01
|
|
end
|
|
basis "N_aug-cc-pv5z_pt_sf_lc" SPHERICAL
|
|
N s
|
|
1.2920000E+05 2.86184968459E-05 -6.34284519263E-06
|
|
1.9350000E+04 2.06211150987E-04 -4.57960441321E-05
|
|
4.4040000E+03 1.05795982142E-03 -2.34506354244E-04
|
|
1.2480000E+03 4.38311770126E-03 -9.77522685311E-04
|
|
4.0800000E+02 1.54990160667E-02 -3.46507869121E-03
|
|
1.4820000E+02 4.70671901638E-02 -1.07808417041E-02
|
|
5.8500000E+01 1.20363922974E-01 -2.85205915572E-02
|
|
2.4590000E+01 2.45842715191E-01 -6.44615994500E-02
|
|
1.0810000E+01 3.61227683369E-01 -1.14649025003E-01
|
|
4.8820000E+00 2.86888180141E-01 -1.47767083007E-01
|
|
2.1950000E+00 6.98538757404E-02 -6.29535857835E-03
|
|
8.7150000E-01 1.73996708312E-03 3.72606602974E-01
|
|
3.5040000E-01 8.28754525875E-04 5.47260105863E-01
|
|
1.3970000E-01 4.97836649309E-06 2.10687331888E-01
|
|
N s
|
|
2.1950000E+00 9.99956178037E-01
|
|
N s
|
|
8.7150000E-01 9.99982598455E-01
|
|
N s
|
|
3.5040000E-01 9.99993003040E-01
|
|
N s
|
|
1.3970000E-01 9.99997210337E-01
|
|
N s
|
|
5.1800000E-02 9.99998965598E-01
|
|
N p
|
|
1.4700000E+02 8.94929114586E-04
|
|
3.4760000E+01 7.03387485928E-03
|
|
1.1000000E+01 3.25594098439E-02
|
|
3.9950000E+00 1.07630151898E-01
|
|
1.5870000E+00 2.43363657340E-01
|
|
6.5330000E-01 3.62512355840E-01
|
|
2.6860000E-01 3.47513220237E-01
|
|
1.0670000E-01 1.55112902460E-01
|
|
N p
|
|
1.5870000E+00 9.99947196644E-01
|
|
N p
|
|
6.5330000E-01 9.99978259403E-01
|
|
N p
|
|
2.6860000E-01 9.99991060867E-01
|
|
N p
|
|
1.0670000E-01 9.99996448869E-01
|
|
N p
|
|
3.6900000E-02 9.99998771899E-01
|
|
N d
|
|
4.6470000E+00 9.99783730817E-01
|
|
N d
|
|
1.8130000E+00 9.99915562600E-01
|
|
N d
|
|
7.0700000E-01 9.99967063344E-01
|
|
N d
|
|
2.7600000E-01 9.99987140706E-01
|
|
N d
|
|
9.7100000E-02 9.99995475744E-01
|
|
N f
|
|
2.9420000E+00 9.99823921966E-01
|
|
N f
|
|
1.2040000E+00 9.99927899632E-01
|
|
N f
|
|
4.9300000E-01 9.99970470260E-01
|
|
N f
|
|
1.9200000E-01 9.99988498433E-01
|
|
N g
|
|
2.5110000E+00 9.99816328721E-01
|
|
N g
|
|
9.4200000E-01 9.99931052328E-01
|
|
N g
|
|
4.3600000E-01 9.99968081413E-01
|
|
N h
|
|
1.7680000E+00 9.99847137448E-01
|
|
N h
|
|
7.8800000E-01 9.99931837193E-01
|
|
end
|
|
basis "O_aug-cc-pv5z_pt_sf_lc" SPHERICAL
|
|
O s
|
|
1.6420000E+05 3.07746115632E-05 -7.00045844488E-06
|
|
2.4590000E+04 2.17544600216E-04 -4.95676223721E-05
|
|
5.5920000E+03 1.11037458491E-03 -2.52681624538E-04
|
|
1.5820000E+03 4.60007909363E-03 -1.05255067059E-03
|
|
5.1610000E+02 1.62666659118E-02 -3.73669147996E-03
|
|
1.8720000E+02 4.93498059875E-02 -1.16128373881E-02
|
|
7.3930000E+01 1.25175231099E-01 -3.06080308896E-02
|
|
3.1220000E+01 2.51843374785E-01 -6.83875360922E-02
|
|
1.3810000E+01 3.62126193114E-01 -1.20608208622E-01
|
|
6.2560000E+00 2.78471990922E-01 -1.48206838754E-01
|
|
2.7760000E+00 6.33119949917E-02 1.08452508214E-02
|
|
1.1380000E+00 1.04089254569E-03 3.86407211466E-01
|
|
4.6000000E-01 1.13885401288E-03 5.36206137920E-01
|
|
1.8290000E-01 -3.63541807785E-05 2.00612404560E-01
|
|
O s
|
|
2.7760000E+00 9.99944582228E-01
|
|
O s
|
|
1.1380000E+00 9.99977277821E-01
|
|
O s
|
|
4.6000000E-01 9.99990814604E-01
|
|
O s
|
|
1.8290000E-01 9.99996347696E-01
|
|
O s
|
|
6.5500000E-02 9.99998692023E-01
|
|
O p
|
|
1.9550000E+02 9.34401143431E-04
|
|
4.6160000E+01 7.41113908475E-03
|
|
1.4580000E+01 3.49708595598E-02
|
|
5.2960000E+00 1.15370241574E-01
|
|
2.0940000E+00 2.55814296090E-01
|
|
8.4710000E-01 3.71379682429E-01
|
|
3.3680000E-01 3.43383136165E-01
|
|
1.2850000E-01 1.35332049608E-01
|
|
O p
|
|
2.0940000E+00 9.99930333982E-01
|
|
O p
|
|
8.4710000E-01 9.99971811103E-01
|
|
O p
|
|
3.3680000E-01 9.99988791279E-01
|
|
O p
|
|
1.2850000E-01 9.99995723351E-01
|
|
O p
|
|
4.4600000E-02 9.99998515630E-01
|
|
O d
|
|
5.8790000E+00 9.99726480342E-01
|
|
O d
|
|
2.3070000E+00 9.99892568980E-01
|
|
O d
|
|
9.0500000E-01 9.99957841355E-01
|
|
O d
|
|
3.5500000E-01 9.99983460300E-01
|
|
O d
|
|
1.3100000E-01 9.99993896268E-01
|
|
O f
|
|
4.0160000E+00 9.99759728226E-01
|
|
O f
|
|
1.5540000E+00 9.99906950947E-01
|
|
O f
|
|
6.0100000E-01 9.99964002551E-01
|
|
O f
|
|
2.3700000E-01 9.99985802964E-01
|
|
O g
|
|
3.3500000E+00 9.99755041323E-01
|
|
O g
|
|
1.1890000E+00 9.99912982343E-01
|
|
O g
|
|
5.1700000E-01 9.99962152818E-01
|
|
O h
|
|
2.3190000E+00 9.99799550099E-01
|
|
O h
|
|
1.0240000E+00 9.99911432894E-01
|
|
end
|
|
basis "F_aug-cc-pv5z_pt_sf_lc" SPHERICAL
|
|
F s
|
|
2.1140000E+05 3.14673639807E-05 -7.29831275714E-06
|
|
3.1660000E+04 2.17381370528E-04 -5.04994252654E-05
|
|
7.2020000E+03 1.09952907241E-03 -2.55134225208E-04
|
|
2.0400000E+03 4.53053655825E-03 -1.05692913464E-03
|
|
6.6640000E+02 1.59651070765E-02 -3.73967742676E-03
|
|
2.4200000E+02 4.84446778832E-02 -1.16226918993E-02
|
|
9.5530000E+01 1.23637295565E-01 -3.08404473980E-02
|
|
4.0230000E+01 2.51720615576E-01 -6.97835262229E-02
|
|
1.7720000E+01 3.64128229375E-01 -1.24086206199E-01
|
|
8.0050000E+00 2.79011397238E-01 -1.49841638478E-01
|
|
3.5380000E+00 6.32873266719E-02 1.75297843133E-02
|
|
1.4580000E+00 1.10704296000E-03 3.93413271198E-01
|
|
5.8870000E-01 1.25260900822E-03 5.31610523282E-01
|
|
2.3240000E-01 -3.44485024969E-05 1.95457484426E-01
|
|
F s
|
|
3.5380000E+00 9.99929376197E-01
|
|
F s
|
|
1.4580000E+00 9.99970889479E-01
|
|
F s
|
|
5.8870000E-01 9.99988244856E-01
|
|
F s
|
|
2.3240000E-01 9.99995359262E-01
|
|
F s
|
|
8.0600000E-02 9.99998390492E-01
|
|
F p
|
|
2.4190000E+02 1.02650897573E-03
|
|
5.7170000E+01 8.10698986042E-03
|
|
1.8130000E+01 3.81452205000E-02
|
|
6.6240000E+00 1.23870700661E-01
|
|
2.6220000E+00 2.66040060850E-01
|
|
1.0570000E+00 3.71671982518E-01
|
|
4.1760000E-01 3.32823981671E-01
|
|
1.5740000E-01 1.28591156384E-01
|
|
F p
|
|
2.6220000E+00 9.99912776192E-01
|
|
F p
|
|
1.0570000E+00 9.99964827624E-01
|
|
F p
|
|
4.1760000E-01 9.99986102457E-01
|
|
F p
|
|
1.5740000E-01 9.99994761548E-01
|
|
F p
|
|
5.5000000E-02 9.99998169503E-01
|
|
F d
|
|
7.7600000E+00 9.99639140683E-01
|
|
F d
|
|
3.0320000E+00 9.99858833813E-01
|
|
F d
|
|
1.1850000E+00 9.99944801756E-01
|
|
F d
|
|
4.6300000E-01 9.99978429101E-01
|
|
F d
|
|
1.7200000E-01 9.99991986023E-01
|
|
F f
|
|
5.3980000E+00 9.99677191796E-01
|
|
F f
|
|
2.0780000E+00 9.99875596798E-01
|
|
F f
|
|
8.0000000E-01 9.99952086404E-01
|
|
F f
|
|
3.3100000E-01 9.99980172686E-01
|
|
F g
|
|
4.3380000E+00 9.99682922728E-01
|
|
F g
|
|
1.5130000E+00 9.99889284652E-01
|
|
F g
|
|
6.6300000E-01 9.99951467685E-01
|
|
F h
|
|
2.9950000E+00 9.99741201102E-01
|
|
F h
|
|
1.3260000E+00 9.99885328989E-01
|
|
end
|
|
basis "Ne_aug-cc-pv5z_pt_sf_lc" SPHERICAL
|
|
Ne s
|
|
2.6270000E+05 3.26640538490E-05 -7.69247835162E-06
|
|
3.9350000E+04 2.20066213559E-04 -5.18984178887E-05
|
|
8.9550000E+03 1.10373807035E-03 -2.60106252728E-04
|
|
2.5380000E+03 4.52083019138E-03 -1.07057523273E-03
|
|
8.2990000E+02 1.58945936713E-02 -3.78215463783E-03
|
|
3.0150000E+02 4.81700764578E-02 -1.17313010865E-02
|
|
1.1900000E+02 1.23448687669E-01 -3.13126169955E-02
|
|
5.0000000E+01 2.52736621340E-01 -7.12440199098E-02
|
|
2.1980000E+01 3.65811585530E-01 -1.27387257279E-01
|
|
9.8910000E+00 2.78675545399E-01 -1.50724158164E-01
|
|
4.3270000E+00 6.13385297066E-02 2.60277566637E-02
|
|
1.8040000E+00 9.30766046819E-04 4.00646110753E-01
|
|
7.2880000E-01 1.35995265192E-03 5.25893195176E-01
|
|
2.8670000E-01 -3.71800152793E-05 1.89538466507E-01
|
|
Ne s
|
|
4.3270000E+00 9.99913634050E-01
|
|
Ne s
|
|
1.8040000E+00 9.99963982590E-01
|
|
Ne s
|
|
7.2880000E-01 9.99985447568E-01
|
|
Ne s
|
|
2.8670000E-01 9.99994274993E-01
|
|
Ne s
|
|
9.5700000E-02 9.99998088962E-01
|
|
Ne p
|
|
2.9910000E+02 1.07025607111E-03
|
|
7.0730000E+01 8.44508684020E-03
|
|
2.2480000E+01 3.98253341151E-02
|
|
8.2460000E+00 1.28182299160E-01
|
|
3.2690000E+00 2.70308957806E-01
|
|
1.3150000E+00 3.70810979677E-01
|
|
5.1580000E-01 3.28404617840E-01
|
|
1.9180000E-01 1.27687550971E-01
|
|
Ne p
|
|
3.2690000E+00 9.99891265872E-01
|
|
Ne p
|
|
1.3150000E+00 9.99956244569E-01
|
|
Ne p
|
|
5.1580000E-01 9.99982834713E-01
|
|
Ne p
|
|
1.9180000E-01 9.99993616717E-01
|
|
Ne p
|
|
6.5400000E-02 9.99997823377E-01
|
|
Ne d
|
|
9.8370000E+00 9.99542797735E-01
|
|
Ne d
|
|
3.8440000E+00 9.99821065290E-01
|
|
Ne d
|
|
1.5020000E+00 9.99930041325E-01
|
|
Ne d
|
|
5.8700000E-01 9.99972652883E-01
|
|
Ne d
|
|
2.1300000E-01 9.99990075819E-01
|
|
Ne f
|
|
7.0900000E+00 9.99576243439E-01
|
|
Ne f
|
|
2.7380000E+00 9.99836120318E-01
|
|
Ne f
|
|
1.0570000E+00 9.99936699519E-01
|
|
Ne f
|
|
4.2500000E-01 9.99974542757E-01
|
|
Ne g
|
|
5.4600000E+00 9.99601092254E-01
|
|
Ne g
|
|
1.8800000E+00 9.99862449358E-01
|
|
Ne g
|
|
8.0900000E-01 9.99940783808E-01
|
|
Ne h
|
|
3.7760000E+00 9.99673835654E-01
|
|
Ne h
|
|
1.6280000E+00 9.99859232580E-01
|
|
end
|
|
basis "Al_aug-cc-pv5z_pt_sf_lc" SPHERICAL
|
|
Al s
|
|
3.2690000E+06 4.76392372779E-06 -1.24379465331E-06 2.87289166379E-07
|
|
4.8940000E+05 2.40728869956E-05 -6.29102381047E-06 1.45213553196E-06
|
|
1.1140000E+05 1.07130037574E-04 -2.79903598995E-05 6.46885461586E-06
|
|
3.1560000E+04 4.13738364281E-04 -1.08254974488E-04 2.49767955589E-05
|
|
1.0320000E+04 1.43499636861E-03 -3.75468387279E-04 8.68339351519E-05
|
|
3.7310000E+03 4.54698655853E-03 -1.19496908326E-03 2.75630743202E-04
|
|
1.4560000E+03 1.32462118025E-02 -3.49932912909E-03 8.10395838246E-04
|
|
6.0410000E+02 3.53922421783E-02 -9.52156244067E-03 2.19849317196E-03
|
|
2.6350000E+02 8.51146433473E-02 -2.36382971649E-02 5.50004451921E-03
|
|
1.1980000E+02 1.76551898190E-01 -5.28067552040E-02 1.22762450966E-02
|
|
5.6320000E+01 2.91961707580E-01 -1.00326842759E-01 2.37834479644E-02
|
|
2.7190000E+01 3.26949395808E-01 -1.50404155389E-01 3.60484761007E-02
|
|
1.3260000E+01 1.85670892923E-01 -1.17517778803E-01 2.99468640922E-02
|
|
6.0520000E+00 3.07574707226E-02 1.10616167307E-01 -3.17213015157E-02
|
|
2.9810000E+00 -4.99311069669E-04 4.12191265735E-01 -1.19488808977E-01
|
|
1.4760000E+00 1.47351610944E-03 4.55687574108E-01 -2.11596247757E-01
|
|
7.3340000E-01 -2.74559513120E-04 1.73887326586E-01 -1.55668119453E-01
|
|
2.4470000E-01 1.17328172695E-04 7.53571301112E-03 3.41740957957E-01
|
|
1.0880000E-01 -6.53576068502E-05 -1.62363798945E-03 6.11897011844E-01
|
|
4.6720000E-02 1.73777309461E-05 4.35708595103E-04 2.33303998596E-01
|
|
Al s
|
|
7.3340000E-01 9.99985355724E-01
|
|
Al s
|
|
2.4470000E-01 9.99995113653E-01
|
|
Al s
|
|
1.0880000E-01 9.99997827370E-01
|
|
Al s
|
|
4.6720000E-02 9.99999067041E-01
|
|
Al s
|
|
1.7700000E-02 9.99999646545E-01
|
|
Al p
|
|
1.4610000E+03 2.35640842635E-04 -4.20237560641E-05
|
|
3.4620000E+02 1.87178368841E-03 -3.39452160732E-04
|
|
1.1220000E+02 9.88447084796E-03 -1.76851446572E-03
|
|
4.2510000E+01 3.80782930664E-02 -6.98906133398E-03
|
|
1.7720000E+01 1.11216676567E-01 -2.03228922013E-02
|
|
7.8520000E+00 2.34424657683E-01 -4.48445961008E-02
|
|
3.5710000E+00 3.45087776852E-01 -6.42280864678E-02
|
|
1.6370000E+00 3.31072904409E-01 -7.51099113337E-02
|
|
7.3820000E-01 1.46938961114E-01 7.52301651040E-04
|
|
2.5770000E-01 1.21679383955E-02 2.87405209695E-01
|
|
9.7730000E-02 -8.75791205848E-04 5.42524900261E-01
|
|
3.6900000E-02 4.39622206837E-04 3.02793644448E-01
|
|
Al p
|
|
7.3820000E-01 9.99975434472E-01
|
|
Al p
|
|
2.5770000E-01 9.99991423607E-01
|
|
Al p
|
|
9.7730000E-02 9.99996747398E-01
|
|
Al p
|
|
3.6900000E-02 9.99998771899E-01
|
|
Al p
|
|
1.1500000E-02 9.99999617257E-01
|
|
Al d
|
|
1.3170000E+00 9.99938655165E-01
|
|
Al d
|
|
5.2600000E-01 9.99975494364E-01
|
|
Al d
|
|
2.1000000E-01 9.99990215589E-01
|
|
Al d
|
|
8.4000000E-02 9.99996086109E-01
|
|
Al d
|
|
2.9400000E-02 9.99998630119E-01
|
|
Al f
|
|
5.1300000E-01 9.99969272501E-01
|
|
Al f
|
|
2.5800000E-01 9.99984545106E-01
|
|
Al f
|
|
1.3000000E-01 9.99992212322E-01
|
|
Al f
|
|
5.0900000E-02 9.99996950745E-01
|
|
Al g
|
|
5.4300000E-01 9.99960249894E-01
|
|
Al g
|
|
2.5200000E-01 9.99981550275E-01
|
|
Al g
|
|
1.0690000E-01 9.99992173052E-01
|
|
Al h
|
|
4.4600000E-01 9.99961414266E-01
|
|
Al h
|
|
2.2700000E-01 9.99980359026E-01
|
|
end
|
|
basis "Si_aug-cc-pv5z_pt_sf_lc" SPHERICAL
|
|
Si s
|
|
3.9480000E+06 5.00618840775E-06 -1.33927873193E-06 3.43832992597E-07
|
|
5.9110000E+05 2.42582973749E-05 -6.49602164448E-06 1.66679960009E-06
|
|
1.3450000E+05 1.05516056022E-04 -2.82551134733E-05 7.25789187829E-06
|
|
3.8120000E+04 4.01864486820E-04 -1.07752427648E-04 2.76370236057E-05
|
|
1.2460000E+04 1.38501141593E-03 -3.71447732966E-04 9.54762446941E-05
|
|
4.5040000E+03 4.36722540347E-03 -1.17602456451E-03 3.01572270972E-04
|
|
1.7580000E+03 1.27002401688E-02 -3.43832440205E-03 8.84987327806E-04
|
|
7.2910000E+02 3.39623693668E-02 -9.35600464632E-03 2.40204251224E-03
|
|
3.1800000E+02 8.18640325883E-02 -2.32727699049E-02 6.01913737949E-03
|
|
1.4460000E+02 1.71063170057E-01 -5.22562386707E-02 1.35158328371E-02
|
|
6.7970000E+01 2.86791783819E-01 -1.00377980072E-01 2.64690461737E-02
|
|
3.2820000E+01 3.28909865486E-01 -1.52602078824E-01 4.07872596475E-02
|
|
1.6030000E+01 1.95093133900E-01 -1.25666120984E-01 3.56887062739E-02
|
|
7.3960000E+00 3.50782853803E-02 9.77289415531E-02 -3.14611538361E-02
|
|
3.6610000E+00 -5.24778885580E-04 4.15434959760E-01 -1.36998431331E-01
|
|
1.8230000E+00 1.59573332093E-03 4.66048288151E-01 -2.50861101339E-01
|
|
9.1470000E-01 -3.67278239896E-04 1.71533181704E-01 -1.55796275867E-01
|
|
3.3930000E-01 1.44425767735E-04 8.19976986100E-03 3.76239066424E-01
|
|
1.5000000E-01 -7.77644936356E-05 -9.77833204678E-04 6.15124614975E-01
|
|
6.4380000E-02 1.89296540590E-05 3.59342404277E-04 2.18761755888E-01
|
|
Si s
|
|
9.1470000E-01 9.99981735952E-01
|
|
Si s
|
|
3.3930000E-01 9.99993224682E-01
|
|
Si s
|
|
1.5000000E-01 9.99997004660E-01
|
|
Si s
|
|
6.4380000E-02 9.99998714388E-01
|
|
Si s
|
|
2.6000000E-02 9.99999480801E-01
|
|
Si p
|
|
1.7800000E+03 2.32825005576E-04 -4.91339655708E-05
|
|
4.2180000E+02 1.82172668532E-03 -3.90098705784E-04
|
|
1.3670000E+02 9.65997214349E-03 -2.04658722752E-03
|
|
5.1810000E+01 3.75381462927E-02 -8.14432685962E-03
|
|
2.1600000E+01 1.11165326544E-01 -2.41442483182E-02
|
|
9.5630000E+00 2.38121785166E-01 -5.40768949953E-02
|
|
4.3500000E+00 3.53500947503E-01 -7.92354431644E-02
|
|
2.0060000E+00 3.28352505702E-01 -8.84741176571E-02
|
|
9.2050000E-01 1.32180699326E-01 2.06029971482E-02
|
|
3.5000000E-01 1.03903573250E-02 3.30496738661E-01
|
|
1.3810000E-01 -5.68402747982E-05 5.16412773145E-01
|
|
5.3380000E-02 3.28879707789E-04 2.77593972290E-01
|
|
Si p
|
|
9.2050000E-01 9.99969368987E-01
|
|
Si p
|
|
3.5000000E-01 9.99988352011E-01
|
|
Si p
|
|
1.3810000E-01 9.99995403858E-01
|
|
Si p
|
|
5.3380000E-02 9.99998223419E-01
|
|
Si p
|
|
1.9200000E-02 9.99999360986E-01
|
|
Si d
|
|
2.0820000E+00 9.99903041061E-01
|
|
Si d
|
|
8.1700000E-01 9.99961939901E-01
|
|
Si d
|
|
3.2100000E-01 9.99985044254E-01
|
|
Si d
|
|
1.2600000E-01 9.99994129227E-01
|
|
Si d
|
|
4.6800000E-02 9.99997819383E-01
|
|
Si f
|
|
6.8800000E-01 9.99958792787E-01
|
|
Si f
|
|
3.4100000E-01 9.99979573741E-01
|
|
Si f
|
|
1.6900000E-01 9.99989876149E-01
|
|
Si f
|
|
7.3500000E-02 9.99995596885E-01
|
|
Si g
|
|
7.0500000E-01 9.99948394112E-01
|
|
Si g
|
|
3.2000000E-01 9.99976572420E-01
|
|
Si g
|
|
1.5100000E-01 9.99988944358E-01
|
|
Si h
|
|
5.8300000E-01 9.99949564985E-01
|
|
Si h
|
|
3.2300000E-01 9.99972053987E-01
|
|
end
|
|
basis "P_aug-cc-pv5z_pt_sf_lc" SPHERICAL
|
|
P s
|
|
4.6660000E+06 5.32214956057E-06 -1.45361155097E-06 4.00862445139E-07
|
|
6.9860000E+05 2.47972979624E-05 -6.77988717745E-06 1.86897044553E-06
|
|
1.5900000E+05 1.05469800846E-04 -2.88402581823E-05 7.95696238003E-06
|
|
4.5040000E+04 3.96713234112E-04 -1.08619728815E-04 2.99344412377E-05
|
|
1.4720000E+04 1.35506080066E-03 -3.71138469918E-04 1.02453691628E-04
|
|
5.3230000E+03 4.25627181294E-03 -1.17033959559E-03 3.22510755720E-04
|
|
2.0760000E+03 1.23615128894E-02 -3.41738172269E-03 9.44581403137E-04
|
|
8.6110000E+02 3.29902855720E-02 -9.27651718734E-03 2.55994623536E-03
|
|
3.7570000E+02 7.96714068651E-02 -2.31109796690E-02 6.41895472283E-03
|
|
1.7080000E+02 1.67365231834E-01 -5.21047880930E-02 1.44953388822E-02
|
|
8.0290000E+01 2.82989878803E-01 -1.00755891717E-01 2.85433045677E-02
|
|
3.8770000E+01 3.30333237407E-01 -1.54937916478E-01 4.46537735839E-02
|
|
1.8930000E+01 2.01577636176E-01 -1.31702959335E-01 4.01879148337E-02
|
|
8.7960000E+00 3.78527055046E-02 9.14500911248E-02 -3.15438565277E-02
|
|
4.3580000E+00 -3.75345190660E-04 4.24321105612E-01 -1.54697160568E-01
|
|
2.1740000E+00 1.56527146811E-03 4.72532471158E-01 -2.83454816661E-01
|
|
1.0950000E+00 -4.06248672684E-04 1.62299582577E-01 -1.46080320823E-01
|
|
4.4000000E-01 1.50933528150E-04 8.15398915474E-03 4.04172202128E-01
|
|
1.9450000E-01 -8.11258215001E-05 -2.96764979151E-04 6.12791922807E-01
|
|
8.3760000E-02 1.78869603600E-05 2.93902089909E-04 2.09385137502E-01
|
|
P s
|
|
1.0950000E+00 9.99978136289E-01
|
|
P s
|
|
4.4000000E-01 9.99991213950E-01
|
|
P s
|
|
1.9450000E-01 9.99996116062E-01
|
|
P s
|
|
8.3760000E-02 9.99998327390E-01
|
|
P s
|
|
3.3500000E-02 9.99999331032E-01
|
|
P p
|
|
2.0100000E+03 2.54380015613E-04 -5.99109312415E-05
|
|
4.7630000E+02 1.96368955888E-03 -4.66519558765E-04
|
|
1.5440000E+02 1.03927616533E-02 -2.46017535501E-03
|
|
5.8510000E+01 4.03627938931E-02 -9.72979000505E-03
|
|
2.4400000E+01 1.19046399858E-01 -2.90293626258E-02
|
|
1.0800000E+01 2.52022045300E-01 -6.37850701107E-02
|
|
4.9130000E+00 3.66255842302E-01 -9.38537619504E-02
|
|
2.2690000E+00 3.15493790566E-01 -9.26604509420E-02
|
|
1.0430000E+00 1.04503126405E-01 5.62600317810E-02
|
|
4.3130000E-01 6.36001563166E-03 3.64583621955E-01
|
|
1.7670000E-01 9.00987615356E-04 4.87345415517E-01
|
|
7.0090000E-02 1.79466577264E-04 2.50897246095E-01
|
|
P p
|
|
1.0430000E+00 9.99965293395E-01
|
|
P p
|
|
4.3130000E-01 9.99985646563E-01
|
|
P p
|
|
1.7670000E-01 9.99994119243E-01
|
|
P p
|
|
7.0090000E-02 9.99997667287E-01
|
|
P p
|
|
2.5300000E-02 9.99999157967E-01
|
|
P d
|
|
2.6560000E+00 9.99876328005E-01
|
|
P d
|
|
1.0540000E+00 9.99950902193E-01
|
|
P d
|
|
4.1800000E-01 9.99980525400E-01
|
|
P d
|
|
1.6600000E-01 9.99992265569E-01
|
|
P d
|
|
6.2400000E-02 9.99997092522E-01
|
|
P f
|
|
9.2300000E-01 9.99944721928E-01
|
|
P f
|
|
4.5000000E-01 9.99973045495E-01
|
|
P f
|
|
2.1900000E-01 9.99986881142E-01
|
|
P f
|
|
9.5000000E-02 9.99994308939E-01
|
|
P g
|
|
9.0300000E-01 9.99933905812E-01
|
|
P g
|
|
4.1200000E-01 9.99969838108E-01
|
|
P g
|
|
1.8400000E-01 9.99986528404E-01
|
|
P h
|
|
7.4500000E-01 9.99935555419E-01
|
|
P h
|
|
3.7200000E-01 9.99967815250E-01
|
|
end
|
|
basis "S_aug-cc-pv5z_pt_sf_lc" SPHERICAL
|
|
S s
|
|
5.4810000E+06 5.64227132454E-06 -1.56877155627E-06 4.55958006982E-07
|
|
8.2060000E+05 2.53301213081E-05 -7.05050486214E-06 2.04863464952E-06
|
|
1.8670000E+05 1.05394480225E-04 -2.93456620573E-05 8.53283973785E-06
|
|
5.2880000E+04 3.90799339945E-04 -1.08943006346E-04 3.16491776201E-05
|
|
1.7250000E+04 1.33038572349E-03 -3.71083620295E-04 1.07954824978E-04
|
|
6.2260000E+03 4.15559206590E-03 -1.16334728861E-03 3.37971193389E-04
|
|
2.4290000E+03 1.20363677149E-02 -3.38847056340E-03 9.86986817790E-04
|
|
1.0070000E+03 3.21061323649E-02 -9.18752074596E-03 2.67329140465E-03
|
|
4.3950000E+02 7.75794287421E-02 -2.29002917308E-02 6.70292754434E-03
|
|
1.9980000E+02 1.63752770390E-01 -5.17942536966E-02 1.51996488339E-02
|
|
9.3920000E+01 2.79324755504E-01 -1.00892776875E-01 3.01318000310E-02
|
|
4.5340000E+01 3.31353393369E-01 -1.56655046385E-01 4.77106564637E-02
|
|
2.2150000E+01 2.07774091303E-01 -1.37327590006E-01 4.41987669076E-02
|
|
1.0340000E+01 4.10309873222E-02 8.51995254276E-02 -3.09201869075E-02
|
|
5.1190000E+00 -4.40189168557E-04 4.32894308660E-01 -1.70477688109E-01
|
|
2.5530000E+00 1.66282437078E-03 4.78764077161E-01 -3.11098270366E-01
|
|
1.2820000E+00 -5.08354002530E-04 1.53901939403E-01 -1.32288339602E-01
|
|
5.4500000E-01 1.85537205335E-04 7.62739091595E-03 4.28820223936E-01
|
|
2.4110000E-01 -9.80334317881E-05 3.76254281001E-04 6.10879232842E-01
|
|
1.0350000E-01 2.04523750671E-05 2.25557448273E-04 1.96945157280E-01
|
|
S s
|
|
1.2820000E+00 9.99974403012E-01
|
|
S s
|
|
5.4500000E-01 9.99989117404E-01
|
|
S s
|
|
2.4110000E-01 9.99995185539E-01
|
|
S s
|
|
1.0350000E-01 9.99997933205E-01
|
|
S s
|
|
4.2000000E-02 9.99999161295E-01
|
|
S p
|
|
2.2000000E+03 2.86088222322E-04 -7.28392073635E-05
|
|
5.2140000E+02 2.18560730308E-03 -5.58113144306E-04
|
|
1.6900000E+02 1.15063037375E-02 -2.94844211743E-03
|
|
6.4050000E+01 4.45369071290E-02 -1.15588165438E-02
|
|
2.6720000E+01 1.29757066265E-01 -3.44243410365E-02
|
|
1.1830000E+01 2.69316968299E-01 -7.35723994887E-02
|
|
5.3780000E+00 3.78213059101E-01 -1.07640102038E-01
|
|
2.4820000E+00 2.96007498028E-01 -8.73184163368E-02
|
|
1.1160000E+00 7.77926486989E-02 1.09464858387E-01
|
|
4.8480000E-01 2.21083506208E-03 4.03927494530E-01
|
|
2.0060000E-01 1.61640489810E-03 4.65399316865E-01
|
|
7.9510000E-02 2.36763602650E-05 1.92293336652E-01
|
|
S p
|
|
1.1160000E+00 9.99962864761E-01
|
|
S p
|
|
4.8480000E-01 9.99983866269E-01
|
|
S p
|
|
2.0060000E-01 9.99993323856E-01
|
|
S p
|
|
7.9510000E-02 9.99997353779E-01
|
|
S p
|
|
2.9400000E-02 9.99999021511E-01
|
|
S d
|
|
3.2030000E+00 9.99850878792E-01
|
|
S d
|
|
1.2810000E+00 9.99940331467E-01
|
|
S d
|
|
5.1200000E-01 9.99976146520E-01
|
|
S d
|
|
2.0500000E-01 9.99990448539E-01
|
|
S d
|
|
7.9400000E-02 9.99996300437E-01
|
|
S f
|
|
1.0960000E+00 9.99934364772E-01
|
|
S f
|
|
5.2900000E-01 9.99968314306E-01
|
|
S f
|
|
2.5500000E-01 9.99984724799E-01
|
|
S f
|
|
1.1880000E-01 9.99992883234E-01
|
|
S g
|
|
1.0710000E+00 9.99921614519E-01
|
|
S g
|
|
4.6300000E-01 9.99966105171E-01
|
|
S g
|
|
2.2000000E-01 9.99983892890E-01
|
|
S h
|
|
8.7200000E-01 9.99924574121E-01
|
|
S h
|
|
4.7200000E-01 9.99959165378E-01
|
|
end
|
|
basis "Cl_aug-cc-pv5z_pt_sf_lc" SPHERICAL
|
|
Cl s
|
|
6.4100000E+06 5.96043707196E-06 -1.68312337202E-06 5.09439478242E-07
|
|
9.5960000E+05 2.58375982480E-05 -7.30460595799E-06 2.21048638692E-06
|
|
2.1830000E+05 1.05030225692E-04 -2.97083809165E-05 8.99562012540E-06
|
|
6.1810000E+04 3.84362173742E-04 -1.08845509337E-04 3.29344567216E-05
|
|
2.0140000E+04 1.29752371590E-03 -3.67712107049E-04 1.11395318705E-04
|
|
7.2640000E+03 4.03940953433E-03 -1.14868852945E-03 3.47598590911E-04
|
|
2.8320000E+03 1.16512912866E-02 -3.33216932234E-03 1.01067015800E-03
|
|
1.1750000E+03 3.10383976920E-02 -9.01751997320E-03 2.73326671867E-03
|
|
5.1260000E+02 7.51961622956E-02 -2.25268541687E-02 6.86591272365E-03
|
|
2.3300000E+02 1.59470150584E-01 -5.10975543335E-02 1.56251825625E-02
|
|
1.0950000E+02 2.74823438624E-01 -1.00325420271E-01 3.12048790017E-02
|
|
5.2860000E+01 3.32102170417E-01 -1.57528929555E-01 5.00456727917E-02
|
|
2.5840000E+01 2.15210269939E-01 -1.43336293672E-01 4.80641488385E-02
|
|
1.2170000E+01 4.50311903155E-02 7.40293036245E-02 -2.80028901368E-02
|
|
6.0300000E+00 -1.28080320401E-04 4.32865873876E-01 -1.80162606328E-01
|
|
3.0120000E+00 1.61047619527E-03 4.87393426826E-01 -3.31932030706E-01
|
|
1.5110000E+00 -5.11964452212E-04 1.55027448118E-01 -1.26655980702E-01
|
|
6.6040000E-01 1.76625392198E-04 8.11893263941E-03 4.44778436605E-01
|
|
2.9260000E-01 -9.79904244063E-05 7.43274036911E-04 6.09241777709E-01
|
|
1.2540000E-01 1.87865425356E-05 2.24843930311E-04 1.89838647836E-01
|
|
Cl s
|
|
1.5110000E+00 9.99969831454E-01
|
|
Cl s
|
|
6.6040000E-01 9.99986813257E-01
|
|
Cl s
|
|
2.9260000E-01 9.99994157182E-01
|
|
Cl s
|
|
1.2540000E-01 9.99997495889E-01
|
|
Cl s
|
|
4.7900000E-02 9.99999043477E-01
|
|
Cl p
|
|
2.5480000E+03 2.89374035875E-04 -7.80241434772E-05
|
|
6.0370000E+02 2.17605117544E-03 -5.87032153322E-04
|
|
1.9560000E+02 1.14666616518E-02 -3.11370872604E-03
|
|
7.4150000E+01 4.45324402027E-02 -1.22185952626E-02
|
|
3.0940000E+01 1.30706671729E-01 -3.68358077507E-02
|
|
1.3690000E+01 2.73281479026E-01 -7.91279822300E-02
|
|
6.2290000E+00 3.83257858364E-01 -1.17221965659E-01
|
|
2.8780000E+00 2.90979067310E-01 -8.54644213334E-02
|
|
1.2820000E+00 7.02014404658E-02 1.40820841605E-01
|
|
5.6410000E-01 1.29924989835E-03 4.22080276828E-01
|
|
2.3480000E-01 1.82295581316E-03 4.45969312281E-01
|
|
9.3120000E-02 2.15580040886E-05 1.66798088374E-01
|
|
Cl p
|
|
1.2820000E+00 9.99957342356E-01
|
|
Cl p
|
|
5.6410000E-01 9.99981227505E-01
|
|
Cl p
|
|
2.3480000E-01 9.99992185698E-01
|
|
Cl p
|
|
9.3120000E-02 9.99996900824E-01
|
|
Cl p
|
|
3.4800000E-02 9.99998841790E-01
|
|
Cl d
|
|
3.7810000E+00 9.99823995045E-01
|
|
Cl d
|
|
1.5290000E+00 9.99928784238E-01
|
|
Cl d
|
|
6.1800000E-01 9.99971208886E-01
|
|
Cl d
|
|
2.5000000E-01 9.99988352011E-01
|
|
Cl d
|
|
1.0030000E-01 9.99995326647E-01
|
|
Cl f
|
|
1.3450000E+00 9.99919459724E-01
|
|
Cl f
|
|
6.5600000E-01 9.99960708987E-01
|
|
Cl f
|
|
3.2000000E-01 9.99980831531E-01
|
|
Cl f
|
|
1.6400000E-01 9.99990175655E-01
|
|
Cl g
|
|
1.3020000E+00 9.99904716706E-01
|
|
Cl g
|
|
5.5600000E-01 9.99959298447E-01
|
|
Cl g
|
|
2.7700000E-01 9.99979720150E-01
|
|
Cl h
|
|
1.0530000E+00 9.99908925903E-01
|
|
Cl h
|
|
6.0700000E-01 9.99947489357E-01
|
|
end
|
|
basis "Ar_aug-cc-pv5z_pt_sf_lc" SPHERICAL
|
|
Ar s
|
|
7.4010000E+06 6.32718817113E-06 -1.81120088487E-06 5.66288410807E-07
|
|
1.1080000E+06 2.65395280323E-05 -7.60643621527E-06 2.37792247005E-06
|
|
2.5210000E+05 1.05536917634E-04 -3.02690384365E-05 9.46757263014E-06
|
|
7.1380000E+04 3.80315610568E-04 -1.09200228227E-04 3.41364150545E-05
|
|
2.3260000E+04 1.27227766636E-03 -3.65660325536E-04 1.14423151580E-04
|
|
8.3900000E+03 3.93728266834E-03 -1.13521778610E-03 3.54924321684E-04
|
|
3.2710000E+03 1.13263790354E-02 -3.28481427089E-03 1.02909547215E-03
|
|
1.3570000E+03 3.01273236298E-02 -8.87030699912E-03 2.77812446375E-03
|
|
5.9200000E+02 7.30887331610E-02 -2.21840841779E-02 6.98388626039E-03
|
|
2.6910000E+02 1.55521565043E-01 -5.03985345866E-02 1.59279645493E-02
|
|
1.2650000E+02 2.70569151170E-01 -9.96885443622E-02 3.20295938228E-02
|
|
6.1030000E+01 3.32719373052E-01 -1.58226164568E-01 5.19955237250E-02
|
|
2.9860000E+01 2.21630823975E-01 -1.48450084363E-01 5.14312936645E-02
|
|
1.4170000E+01 4.91578085269E-02 6.37169707574E-02 -2.48943585522E-02
|
|
7.0220000E+00 6.52871226068E-05 4.32358738214E-01 -1.88242389133E-01
|
|
3.5110000E+00 1.65430650531E-03 4.95165179661E-01 -3.49490766113E-01
|
|
1.7580000E+00 -5.69219651910E-04 1.56466571902E-01 -1.21401392579E-01
|
|
7.8410000E-01 1.92108410861E-04 8.51102174933E-03 4.57990254126E-01
|
|
3.4800000E-01 -1.09007433175E-04 1.09352190043E-03 6.06778150470E-01
|
|
1.4910000E-01 2.01295443952E-05 2.21363511633E-04 1.84370104639E-01
|
|
Ar s
|
|
1.7580000E+00 9.99964900816E-01
|
|
Ar s
|
|
7.8410000E-01 9.99984343451E-01
|
|
Ar s
|
|
3.4800000E-01 9.99993050963E-01
|
|
Ar s
|
|
1.4910000E-01 9.99997022632E-01
|
|
Ar s
|
|
5.3800000E-02 9.99998925660E-01
|
|
Ar p
|
|
2.9270000E+03 2.92642824442E-04 -8.18900061940E-05
|
|
6.9350000E+02 2.16407846751E-03 -6.04996843679E-04
|
|
2.2470000E+02 1.13899497882E-02 -3.21165281846E-03
|
|
8.5170000E+01 4.44759274917E-02 -1.26553399562E-02
|
|
3.5530000E+01 1.31195375185E-01 -3.84744680376E-02
|
|
1.5730000E+01 2.76149198705E-01 -8.31589266500E-02
|
|
7.1650000E+00 3.87134177744E-01 -1.24354536068E-01
|
|
3.3220000E+00 2.86344159402E-01 -8.24856190454E-02
|
|
1.4780000E+00 6.54678943690E-02 1.64620855476E-01
|
|
6.5520000E-01 1.57620572744E-04 4.31141394452E-01
|
|
2.7510000E-01 1.13428510851E-03 4.28574076858E-01
|
|
1.0970000E-01 -2.51505451267E-04 1.54084373488E-01
|
|
Ar p
|
|
1.4780000E+00 9.99950822359E-01
|
|
Ar p
|
|
6.5520000E-01 9.99978196182E-01
|
|
Ar p
|
|
2.7510000E-01 9.99990844555E-01
|
|
Ar p
|
|
1.0970000E-01 9.99996349027E-01
|
|
Ar p
|
|
4.0200000E-02 9.99998662069E-01
|
|
Ar d
|
|
4.7760000E+00 9.99777734555E-01
|
|
Ar d
|
|
1.9170000E+00 9.99910721354E-01
|
|
Ar d
|
|
7.7000000E-01 9.99964128973E-01
|
|
Ar d
|
|
3.0900000E-01 9.99985603303E-01
|
|
Ar d
|
|
1.2100000E-01 9.99994362187E-01
|
|
Ar f
|
|
1.6680000E+00 9.99900128704E-01
|
|
Ar f
|
|
8.2500000E-01 9.99950589510E-01
|
|
Ar f
|
|
4.0800000E-01 9.99975560910E-01
|
|
Ar f
|
|
2.0900000E-01 9.99987480136E-01
|
|
Ar g
|
|
1.5620000E+00 9.99885701279E-01
|
|
Ar g
|
|
6.6500000E-01 9.99951321322E-01
|
|
Ar g
|
|
3.3400000E-01 9.99975547601E-01
|
|
Ar h
|
|
1.2640000E+00 9.99890687457E-01
|
|
Ar h
|
|
7.4200000E-01 9.99935814836E-01
|
|
end
|
|
basis "Ga_aug-cc-pv5z_pt_sf_lc" SPHERICAL
|
|
Ga s
|
|
1.0861522E+08 4.85687547351E-06 -1.53947161889E-06 5.89260195882E-07 -1.38226038570E-07
|
|
1.6264540E+07 1.45588798732E-05 -4.62052757993E-06 1.76879042934E-06 -4.14932527467E-07
|
|
3.7001116E+06 4.24333430586E-05 -1.34905242171E-05 5.16583529099E-06 -1.21181723911E-06
|
|
1.0471691E+06 1.14343295923E-04 -3.64257988685E-05 1.39500169649E-05 -3.27275599366E-06
|
|
3.4106757E+05 3.06674700284E-04 -9.79308512743E-05 3.75230129547E-05 -8.80259320234E-06
|
|
1.2277154E+05 8.09143869565E-04 -2.58926672496E-04 9.92081661308E-05 -2.32775255754E-05
|
|
4.7659578E+04 2.11038504291E-03 -6.77428768576E-04 2.59754158819E-04 -6.09384617586E-05
|
|
1.9633354E+04 5.38280204327E-03 -1.73434545261E-03 6.65017304310E-04 -1.56060896816E-04
|
|
8.4887347E+03 1.33184740868E-02 -4.32681453718E-03 1.66174972979E-03 -3.89903545966E-04
|
|
3.8231381E+03 3.15135851426E-02 -1.03897503932E-02 3.99489834982E-03 -9.37907110100E-04
|
|
1.7844755E+03 6.97608591467E-02 -2.37395362411E-02 9.17214547992E-03 -2.15361817833E-03
|
|
8.6005305E+02 1.39286838536E-01 -5.02965042786E-02 1.95609654024E-02 -4.59997643030E-03
|
|
4.2669867E+02 2.35735951207E-01 -9.56296457404E-02 3.78086192578E-02 -8.90304434204E-03
|
|
2.1726161E+02 3.03148193056E-01 -1.51047928869E-01 6.13214441786E-02 -1.45083431037E-02
|
|
1.1296987E+02 2.44894603202E-01 -1.65775551649E-01 7.07629001185E-02 -1.68197055260E-02
|
|
5.9449441E+01 9.15959246441E-02 -2.79800758928E-02 1.16949706450E-02 -2.83872604523E-03
|
|
3.0782256E+01 9.21113973982E-03 3.13242735586E-01 -1.73217978985E-01 4.28267191243E-02
|
|
1.6423212E+01 5.64012087233E-04 5.22138526042E-01 -4.04998339508E-01 1.04694763776E-01
|
|
8.7578890E+00 -5.79358218252E-05 2.84930486577E-01 -2.72335325431E-01 7.22497829236E-02
|
|
4.4096290E+00 1.23410692783E-05 4.10765829454E-02 2.96460238823E-01 -9.39044259781E-02
|
|
2.2494490E+00 -6.15550029988E-05 1.31855779340E-03 6.35306453816E-01 -2.28707710233E-01
|
|
1.1261150E+00 1.61985946939E-05 1.06928259621E-03 3.50219251151E-01 -2.47679221904E-01
|
|
5.1548600E-01 -1.10666235259E-05 -1.38734420856E-04 3.49875655533E-02 -1.28663897712E-02
|
|
2.4257800E-01 5.59109260841E-06 8.48841790959E-05 -1.04046955802E-03 4.45068798356E-01
|
|
1.0708600E-01 -2.18033327784E-06 -3.42686047804E-05 3.59045373893E-04 5.67667540214E-01
|
|
4.6988000E-02 5.82337690977E-07 7.82643064454E-06 -3.43099753445E-05 1.67217704959E-01
|
|
Ga s
|
|
5.1548600E-01 9.99989706708E-01
|
|
Ga s
|
|
2.4257800E-01 9.99995156026E-01
|
|
Ga s
|
|
1.0708600E-01 9.99997861597E-01
|
|
Ga s
|
|
4.6988000E-02 9.99999061689E-01
|
|
Ga s
|
|
1.7301000E-02 9.99999654512E-01
|
|
Ga p
|
|
3.2152190E+04 1.01440620610E-04 -3.86023172249E-05 6.28380254843E-06
|
|
7.6093842E+03 4.03595870777E-04 -1.53759931332E-04 2.51818281802E-05
|
|
2.4714744E+03 1.86837342612E-03 -7.14461291421E-04 1.16019337829E-04
|
|
9.4606363E+02 7.39445846241E-03 -2.83935015222E-03 4.65965382932E-04
|
|
4.0194711E+02 2.54681117271E-02 -9.90331950579E-03 1.60959868019E-03
|
|
1.8364688E+02 7.34886378883E-02 -2.91883691922E-02 4.81081352114E-03
|
|
8.8533264E+01 1.70464507644E-01 -7.03386796088E-02 1.14810574700E-02
|
|
4.4270355E+01 2.96947285361E-01 -1.28139405508E-01 2.14003023756E-02
|
|
2.2723083E+01 3.46312486704E-01 -1.57084451889E-01 2.55975443956E-02
|
|
1.1823141E+01 2.13663755868E-01 -3.74737504606E-02 5.72389890831E-03
|
|
6.0421350E+00 5.06883576716E-02 2.49052968873E-01 -5.10709421533E-02
|
|
3.0317540E+00 3.30954628751E-03 4.46468621128E-01 -8.42053798690E-02
|
|
1.4933660E+00 9.70252831900E-04 3.48193557649E-01 -8.93261183903E-02
|
|
7.0972700E-01 3.49128093192E-05 1.01941692088E-01 2.20360210052E-02
|
|
2.4859300E-01 4.57513476080E-05 5.16958506769E-03 3.12894360199E-01
|
|
9.4395000E-02 -1.94165474819E-05 -1.23581832396E-04 5.32835788518E-01
|
|
3.5887000E-02 5.42847455405E-06 1.26345927649E-04 2.85344788972E-01
|
|
Ga p
|
|
7.0972700E-01 9.99976381862E-01
|
|
Ga p
|
|
2.4859300E-01 9.99991726679E-01
|
|
Ga p
|
|
9.4395000E-02 9.99996858390E-01
|
|
Ga p
|
|
3.5887000E-02 9.99998805613E-01
|
|
Ga p
|
|
1.1050000E-02 9.99999632234E-01
|
|
Ga d
|
|
1.0405046E+03 1.02369755526E-04
|
|
3.1459714E+02 9.03617290812E-04
|
|
1.2278760E+02 5.10231370734E-03
|
|
5.4760369E+01 2.00101000109E-02
|
|
2.6298944E+01 5.80884897031E-02
|
|
1.3263445E+01 1.30926417143E-01
|
|
6.8850650E+00 2.20607877363E-01
|
|
3.5795250E+00 2.81361651468E-01
|
|
1.8315640E+00 2.83093354113E-01
|
|
9.1290900E-01 2.16955171649E-01
|
|
4.3534000E-01 1.08046314208E-01
|
|
1.8851800E-01 2.17355536836E-02
|
|
7.5800000E-02 3.02229320156E-04
|
|
Ga d
|
|
9.1290900E-01 9.99957473007E-01
|
|
Ga d
|
|
4.3534000E-01 9.99979717621E-01
|
|
Ga d
|
|
1.8851800E-01 9.99991216439E-01
|
|
Ga d
|
|
7.5800000E-02 9.99996468172E-01
|
|
Ga d
|
|
2.6000000E-02 9.99998788540E-01
|
|
Ga f
|
|
5.9600000E-01 9.99964301972E-01
|
|
Ga f
|
|
2.8260000E-01 9.99983071637E-01
|
|
Ga f
|
|
1.3400000E-01 9.99991972712E-01
|
|
Ga f
|
|
5.1100000E-02 9.99996938764E-01
|
|
Ga g
|
|
6.1460000E-01 9.99955009740E-01
|
|
Ga g
|
|
2.7500000E-01 9.99979866558E-01
|
|
Ga g
|
|
1.1400000E-01 9.99991653232E-01
|
|
Ga h
|
|
4.9860000E-01 9.99956864651E-01
|
|
Ga h
|
|
2.5400000E-01 9.99978023157E-01
|
|
end
|
|
basis "Ge_aug-cc-pv5z_pt_sf_lc" SPHERICAL
|
|
Ge s
|
|
1.2200119E+08 5.01225194090E-06 -1.59650926589E-06 6.17473190387E-07 -1.59565416738E-07
|
|
1.8257470E+07 1.48967329278E-05 -4.75086642150E-06 1.83768361011E-06 -4.74891220783E-07
|
|
4.1508215E+06 4.29632977839E-05 -1.37262384777E-05 5.31099145423E-06 -1.37253703991E-06
|
|
1.1741018E+06 1.14252981793E-04 -3.65780970086E-05 1.41549652488E-05 -3.65808251232E-06
|
|
3.8230915E+05 3.02408467128E-04 -9.70629784606E-05 3.75797789740E-05 -9.71287239186E-06
|
|
1.3760796E+05 7.88282918057E-04 -2.53564656143E-04 9.81746313438E-05 -2.53726704122E-05
|
|
5.3419242E+04 2.03627632375E-03 -6.57143727914E-04 2.54620933898E-04 -6.58177925924E-05
|
|
2.2005756E+04 5.15681992178E-03 -1.67027284944E-03 6.47193274637E-04 -1.67277192140E-04
|
|
9.5138479E+03 1.27004083068E-02 -4.14719956984E-03 1.60945163379E-03 -4.16134360748E-04
|
|
4.2841756E+03 2.99891935383E-02 -9.93037183581E-03 3.85818307378E-03 -9.97551074202E-04
|
|
1.9991664E+03 6.64525191980E-02 -2.26850382413E-02 8.85474635791E-03 -2.29136260827E-03
|
|
9.6324716E+02 1.33366531502E-01 -4.81707491998E-02 1.89225588592E-02 -4.89975673392E-03
|
|
4.7780500E+02 2.28328809443E-01 -9.21945131794E-02 3.67938555252E-02 -9.55117195476E-03
|
|
2.4331589E+02 3.00375426989E-01 -1.47609278097E-01 6.04349637048E-02 -1.57373036102E-02
|
|
1.2663999E+02 2.53147977681E-01 -1.68277812870E-01 7.23419168453E-02 -1.89803614962E-02
|
|
6.6783579E+01 1.02472237008E-01 -4.44825658217E-02 1.94365293896E-02 -5.10554171896E-03
|
|
3.4416084E+01 1.18399268070E-02 2.89577508427E-01 -1.60299751441E-01 4.35313249501E-02
|
|
1.8372814E+01 3.76725881076E-04 5.23294907119E-01 -4.01413336933E-01 1.14749036551E-01
|
|
9.8054610E+00 6.85524587792E-05 3.06652700429E-01 -2.99693912445E-01 8.76995660654E-02
|
|
4.9694030E+00 -4.56864132796E-05 4.85213005448E-02 2.61727425519E-01 -9.09904011484E-02
|
|
2.5486230E+00 -3.15536397214E-05 1.46880644557E-03 6.43317632492E-01 -2.58981974246E-01
|
|
1.2845940E+00 -3.97987762624E-07 1.19540199624E-03 3.74736146218E-01 -2.89798355736E-01
|
|
5.8335300E-01 -3.12248495239E-06 -1.98682032026E-04 3.86783824392E-02 -1.14332584255E-04
|
|
2.9343900E-01 1.91981902369E-06 1.11536730347E-04 -1.90573151029E-03 4.88017000777E-01
|
|
1.3267200E-01 -5.76343994865E-07 -4.70534723563E-05 6.66649643112E-04 5.55071115659E-01
|
|
5.9239000E-02 1.88924674794E-07 9.47159934087E-06 -5.72016715784E-05 1.50149010602E-01
|
|
Ge s
|
|
5.8335300E-01 9.99988351618E-01
|
|
Ge s
|
|
2.9343900E-01 9.99994140429E-01
|
|
Ge s
|
|
1.3267200E-01 9.99997350677E-01
|
|
Ge s
|
|
5.9239000E-02 9.99998817049E-01
|
|
Ge s
|
|
2.4274000E-02 9.99999515267E-01
|
|
Ge p
|
|
3.2314970E+04 1.14280377838E-04 -4.41520087760E-05 8.62795971795E-06
|
|
7.6482002E+03 4.53323565187E-04 -1.75386156723E-04 3.43549386321E-05
|
|
2.4842114E+03 2.09055288116E-03 -8.11860616163E-04 1.58563023835E-04
|
|
9.5100305E+02 8.23326316801E-03 -3.21254488283E-03 6.30167006507E-04
|
|
4.0404833E+02 2.81785793114E-02 -1.11417643432E-02 2.17963824542E-03
|
|
1.8460354E+02 8.04769992683E-02 -3.25600507370E-02 6.41460431385E-03
|
|
8.8964128E+01 1.83363457155E-01 -7.71752984362E-02 1.51904871491E-02
|
|
4.4447742E+01 3.10269252529E-01 -1.36947121581E-01 2.73045005277E-02
|
|
2.2799075E+01 3.42323377129E-01 -1.56858511069E-01 3.10270015235E-02
|
|
1.1835928E+01 1.92308443509E-01 -9.17373349140E-03 -3.90002356285E-04
|
|
6.0112940E+00 3.97089083262E-02 2.91793004009E-01 -7.04177132325E-02
|
|
2.9957840E+00 2.32108142791E-03 4.62037912940E-01 -1.11137037369E-01
|
|
1.4695700E+00 7.91504520771E-04 3.11313516709E-01 -9.66649437104E-02
|
|
6.9068100E-01 -2.26616439236E-05 6.63689452715E-02 6.38780793711E-02
|
|
2.8616000E-01 4.28821240918E-05 1.97875989770E-03 3.66901542827E-01
|
|
1.1774200E-01 -2.08088615180E-05 7.16526263711E-04 4.95588092658E-01
|
|
4.7385000E-02 4.64286003181E-06 -3.02506008239E-05 2.38997843694E-01
|
|
Ge p
|
|
6.9068100E-01 9.99977015591E-01
|
|
Ge p
|
|
2.8616000E-01 9.99990476493E-01
|
|
Ge p
|
|
1.1774200E-01 9.99996081383E-01
|
|
Ge p
|
|
4.7385000E-02 9.99998422941E-01
|
|
Ge p
|
|
1.7593000E-02 9.99999414470E-01
|
|
Ge d
|
|
1.2267982E+03 8.94245812534E-05
|
|
3.7123223E+02 7.84736148847E-04
|
|
1.4489099E+02 4.47857722924E-03
|
|
6.4604130E+01 1.80157442278E-02
|
|
3.1039737E+01 5.37746001057E-02
|
|
1.5643870E+01 1.25062774131E-01
|
|
8.1258220E+00 2.17939339045E-01
|
|
4.2397620E+00 2.84887954751E-01
|
|
2.1863860E+00 2.89487122063E-01
|
|
1.1038710E+00 2.17198988423E-01
|
|
5.3381100E-01 1.00262227822E-01
|
|
2.3135500E-01 1.74630913984E-02
|
|
9.5300000E-02 2.41429359005E-04
|
|
Ge d
|
|
1.1038710E+00 9.99948579741E-01
|
|
Ge d
|
|
5.3381100E-01 9.99975130510E-01
|
|
Ge d
|
|
2.3135500E-01 9.99989220666E-01
|
|
Ge d
|
|
9.5300000E-02 9.99995559611E-01
|
|
Ge d
|
|
3.6400000E-02 9.99998303960E-01
|
|
Ge f
|
|
6.7090000E-01 9.99959816751E-01
|
|
Ge f
|
|
3.2970000E-01 9.99980250550E-01
|
|
Ge f
|
|
1.6300000E-01 9.99990235556E-01
|
|
Ge f
|
|
7.0500000E-02 9.99995776599E-01
|
|
Ge g
|
|
7.0340000E-01 9.99948511199E-01
|
|
Ge g
|
|
3.1600000E-01 9.99976865227E-01
|
|
Ge g
|
|
1.4600000E-01 9.99989310418E-01
|
|
Ge h
|
|
5.8150000E-01 9.99949694713E-01
|
|
Ge h
|
|
3.2000000E-01 9.99972313508E-01
|
|
end
|
|
basis "As_aug-cc-pv5z_pt_sf_lc" SPHERICAL
|
|
As s
|
|
1.3750753E+08 5.14914015658E-06 -1.64788194267E-06 6.44028505855E-07 -1.78812343748E-07
|
|
2.0515052E+07 1.52282040263E-05 -4.87952140979E-06 1.90726003360E-06 -5.29537806454E-07
|
|
4.6487164E+06 4.35803308775E-05 -1.39895017885E-05 5.46963871486E-06 -1.51874888309E-06
|
|
1.3112646E+06 1.14667015741E-04 -3.68871232737E-05 1.44247057705E-05 -4.00505367532E-06
|
|
4.2618586E+05 2.99973893050E-04 -9.67571833581E-05 3.78551320704E-05 -1.05126716605E-05
|
|
1.5323706E+05 7.73224542033E-04 -2.49976984681E-04 9.78082137111E-05 -2.71572517550E-05
|
|
5.9459404E+04 1.97833442402E-03 -6.41761654048E-04 2.51281257821E-04 -6.97955238405E-05
|
|
2.4492812E+04 4.97262259132E-03 -1.61890868467E-03 6.33939047016E-04 -1.76025471086E-04
|
|
1.0590253E+04 1.21830142041E-02 -3.99831212516E-03 1.56799578006E-03 -4.35657016501E-04
|
|
4.7697841E+03 2.86802657043E-02 -9.53884229582E-03 3.74514151949E-03 -1.04021399982E-03
|
|
2.2263698E+03 6.35277053032E-02 -2.17583585241E-02 8.58082731763E-03 -2.38628674511E-03
|
|
1.0730862E+03 1.27943247380E-01 -4.62451430829E-02 1.83513155543E-02 -5.10419533126E-03
|
|
5.3250059E+02 2.21187243101E-01 -8.89682567838E-02 3.58452665939E-02 -1.00011001466E-02
|
|
2.7129755E+02 2.97051429176E-01 -1.44190997881E-01 5.95538729079E-02 -1.66540040022E-02
|
|
1.4131195E+02 2.60382441363E-01 -1.70009545103E-01 7.36194041421E-02 -2.07735491680E-02
|
|
7.4584433E+01 1.13173105257E-01 -5.91216836261E-02 2.64165011020E-02 -7.43384410181E-03
|
|
3.8298338E+01 1.46748679968E-02 2.66583912422E-01 -1.47973171275E-01 4.30998954422E-02
|
|
2.0469130E+01 2.01889300388E-04 5.21940554851E-01 -3.96613273531E-01 1.22095808933E-01
|
|
1.0939578E+01 1.99237152771E-04 3.27305216421E-01 -3.25137491715E-01 1.02574935218E-01
|
|
5.5903670E+00 -1.07865505788E-04 5.68048404602E-02 2.25519437758E-01 -8.41281458544E-02
|
|
2.8828590E+00 1.26350441475E-06 1.81600442915E-03 6.47959868962E-01 -2.82816001512E-01
|
|
1.4660860E+00 -1.91629286852E-05 1.28510361365E-03 3.99736200706E-01 -3.27784867798E-01
|
|
6.7483900E-01 6.91175111862E-06 -2.32412669579E-04 4.45501633323E-02 1.09090546430E-02
|
|
3.4639900E-01 -3.31633783691E-06 1.17200099467E-04 -2.11589771936E-03 5.17715465136E-01
|
|
1.5928900E-01 1.51989995375E-06 -5.42762913425E-05 8.95162082389E-04 5.45256817543E-01
|
|
7.2109000E-02 -2.93618081017E-07 9.63379294501E-06 -6.06218189809E-05 1.40088179962E-01
|
|
As s
|
|
6.7483900E-01 9.99986524963E-01
|
|
As s
|
|
3.4639900E-01 9.99993082931E-01
|
|
As s
|
|
1.5928900E-01 9.99996819172E-01
|
|
As s
|
|
7.2109000E-02 9.99998560048E-01
|
|
As s
|
|
2.9418000E-02 9.99999412546E-01
|
|
As p
|
|
3.4166161E+04 1.21443269167E-04 -4.76233584793E-05 1.05106029694E-05
|
|
8.0865608E+03 4.71886214604E-04 -1.85350059434E-04 4.09174149617E-05
|
|
2.6265114E+03 2.15524004207E-03 -8.49669971103E-04 1.87632999061E-04
|
|
1.0053950E+03 8.43626759266E-03 -3.34280798867E-03 7.38707299572E-04
|
|
4.2712735E+02 2.87907456987E-02 -1.15610218773E-02 2.55844351845E-03
|
|
1.9515113E+02 8.20075648050E-02 -3.37190957828E-02 7.48359665486E-03
|
|
9.4054308E+01 1.86210981716E-01 -7.96756828855E-02 1.77635488715E-02
|
|
4.6999880E+01 3.13219328647E-01 -1.40743313597E-01 3.15852856263E-02
|
|
2.4117457E+01 3.41047846360E-01 -1.58156097154E-01 3.56323302215E-02
|
|
1.2519982E+01 1.87364723989E-01 -1.25921439162E-03 -3.34324063632E-03
|
|
6.3573250E+00 3.74815076723E-02 3.06010150057E-01 -8.29247660824E-02
|
|
3.1680520E+00 2.14441873771E-03 4.70239428447E-01 -1.33861982175E-01
|
|
1.5534810E+00 7.13939614302E-04 2.97113238389E-01 -1.00197290960E-01
|
|
7.1032500E-01 -4.82143250049E-05 5.25492598998E-02 1.08475556755E-01
|
|
3.2095500E-01 4.31781633086E-05 1.15960053850E-04 3.97575885813E-01
|
|
1.3935700E-01 -2.40521691300E-05 1.21634492728E-03 4.59891435268E-01
|
|
5.8410000E-02 4.25672183264E-06 -8.09195508760E-05 2.06843233917E-01
|
|
As p
|
|
7.1032500E-01 9.99976361965E-01
|
|
As p
|
|
3.2095500E-01 9.99989318571E-01
|
|
As p
|
|
1.3935700E-01 9.99995362025E-01
|
|
As p
|
|
5.8410000E-02 9.99998056013E-01
|
|
As p
|
|
2.2043000E-02 9.99999266366E-01
|
|
As d
|
|
1.4244506E+03 7.99091403443E-05
|
|
4.3106676E+02 6.97131980732E-04
|
|
1.6812864E+02 4.01593391973E-03
|
|
7.4866724E+01 1.65209822365E-02
|
|
3.5945855E+01 5.05472337442E-02
|
|
1.8098474E+01 1.20543134228E-01
|
|
9.4057800E+00 2.15649485338E-01
|
|
4.9239040E+00 2.87550183491E-01
|
|
2.5564930E+00 2.94556610400E-01
|
|
1.3042330E+00 2.16898145075E-01
|
|
6.3711800E-01 9.42139481504E-02
|
|
2.7579500E-01 1.47757748697E-02
|
|
1.1530000E-01 2.19998586403E-04
|
|
As d
|
|
1.3042330E+00 9.99939249644E-01
|
|
As d
|
|
6.3711800E-01 9.99970318370E-01
|
|
As d
|
|
2.7579500E-01 9.99987150256E-01
|
|
As d
|
|
1.1530000E-01 9.99994627762E-01
|
|
As d
|
|
4.8800000E-02 9.99997726195E-01
|
|
As f
|
|
7.5990000E-01 9.99954487471E-01
|
|
As f
|
|
3.8590000E-01 9.99976884526E-01
|
|
As f
|
|
1.9600000E-01 9.99988258833E-01
|
|
As f
|
|
8.9900000E-02 9.99994614450E-01
|
|
As g
|
|
8.0920000E-01 9.99940769173E-01
|
|
As g
|
|
3.7000000E-01 9.99972912406E-01
|
|
As g
|
|
1.6550000E-01 9.99987882795E-01
|
|
As h
|
|
6.7730000E-01 9.99941409771E-01
|
|
As h
|
|
3.6680000E-01 9.99968265066E-01
|
|
end
|
|
basis "Se_aug-cc-pv5z_pt_sf_lc" SPHERICAL
|
|
Se s
|
|
1.5443225E+08 5.28344523676E-06 -1.69863798479E-06 6.70701311135E-07 -1.96987934110E-07
|
|
2.3129212E+07 1.54204527307E-05 -4.96375787601E-06 1.96017309719E-06 -5.75703966474E-07
|
|
5.2617929E+06 4.35503102596E-05 -1.40438983174E-05 5.54743561287E-06 -1.62944216454E-06
|
|
1.4888167E+06 1.12824800819E-04 -3.64622379311E-05 1.44056703753E-05 -4.23110363556E-06
|
|
4.8465656E+05 2.91113799001E-04 -9.43423677854E-05 3.72909060173E-05 -1.09550450785E-05
|
|
1.7427063E+05 7.41634072055E-04 -2.40924557939E-04 9.52430386767E-05 -2.79746590257E-05
|
|
6.7529090E+04 1.88269193837E-03 -6.13754785761E-04 2.42798382410E-04 -7.13413427114E-05
|
|
2.7750837E+04 4.71035806250E-03 -1.54107243431E-03 6.09731188881E-04 -1.79097239938E-04
|
|
1.1964216E+04 1.15222163358E-02 -3.79921281469E-03 1.50526336800E-03 -4.42429194014E-04
|
|
5.3707148E+03 2.71710234821E-02 -9.07351609411E-03 3.59921603662E-03 -1.05750776118E-03
|
|
2.4973194E+03 6.05031454196E-02 -2.07798580317E-02 8.27756515823E-03 -2.43515923043E-03
|
|
1.1987679E+03 1.22927106443E-01 -4.44497095661E-02 1.78146512542E-02 -5.24149671698E-03
|
|
5.9258026E+02 2.15260796972E-01 -8.62587017769E-02 3.50787006552E-02 -1.03536334286E-02
|
|
3.0097708E+02 2.94824378736E-01 -1.41615270929E-01 5.90055580534E-02 -1.74550508866E-02
|
|
1.5646024E+02 2.66960296859E-01 -1.71556264660E-01 7.48528080262E-02 -2.23463892610E-02
|
|
8.2476086E+01 1.22553381960E-01 -7.08393505492E-02 3.21250079189E-02 -9.58104550664E-03
|
|
4.2270887E+01 1.73155715626E-02 2.46980689249E-01 -1.37780033334E-01 4.24538758223E-02
|
|
2.2630220E+01 8.34088985413E-05 5.18562337482E-01 -3.91804311554E-01 1.27747498399E-01
|
|
1.2122374E+01 3.07268634342E-04 3.44641911045E-01 -3.46108174781E-01 1.16069917772E-01
|
|
6.2491700E+00 -1.60866821246E-04 6.51597464248E-02 1.91632378162E-01 -7.58623018097E-02
|
|
3.2426780E+00 2.96230877325E-05 2.26064453413E-03 6.49004849647E-01 -3.01162177498E-01
|
|
1.6663620E+00 -3.62431146874E-05 1.37386692987E-03 4.22752414425E-01 -3.62595919683E-01
|
|
7.8726400E-01 1.60762233152E-05 -2.63387236452E-04 5.17475500990E-02 1.83109739703E-02
|
|
4.0297200E-01 -7.73261620755E-06 1.13717890998E-04 -1.58580330864E-03 5.39563492210E-01
|
|
1.8709600E-01 3.31768137214E-06 -5.96988865791E-05 1.00218610683E-03 5.42554987584E-01
|
|
8.4706000E-02 -6.82765611526E-07 9.22650583593E-06 -3.78332126700E-05 1.30631680515E-01
|
|
Se s
|
|
7.8726400E-01 9.99984280279E-01
|
|
Se s
|
|
4.0297200E-01 9.99991953303E-01
|
|
Se s
|
|
1.8709600E-01 9.99996263908E-01
|
|
Se s
|
|
8.4706000E-02 9.99998308500E-01
|
|
Se s
|
|
3.3935000E-02 9.99999322346E-01
|
|
Se p
|
|
3.6511337E+04 1.27230043964E-04 -5.06148750126E-05 1.22109729208E-05
|
|
8.6405510E+03 4.82683097481E-04 -1.92380631648E-04 4.63777612080E-05
|
|
2.8056911E+03 2.18109985733E-03 -8.72409404437E-04 2.10717047648E-04
|
|
1.0734961E+03 8.48823653562E-03 -3.41352933521E-03 8.23608007133E-04
|
|
4.5577475E+02 2.89367931372E-02 -1.17915353141E-02 2.85499274262E-03
|
|
2.0809432E+02 8.24392248521E-02 -3.44153557905E-02 8.34041748772E-03
|
|
1.0023111E+02 1.87258861776E-01 -8.13597795703E-02 1.98629432807E-02
|
|
5.0073522E+01 3.14569395664E-01 -1.43705174209E-01 3.52118109794E-02
|
|
2.5700262E+01 3.40586450958E-01 -1.59893233107E-01 3.95690901106E-02
|
|
1.3346792E+01 1.85287121194E-01 2.72170031192E-03 -5.43767246910E-03
|
|
6.7870510E+00 3.66176192001E-02 3.14751742942E-01 -9.34046480129E-02
|
|
3.3916540E+00 2.07626286198E-03 4.75778690047E-01 -1.53369610503E-01
|
|
1.6703270E+00 6.52924834147E-04 2.86322049503E-01 -1.01010700234E-01
|
|
7.5259900E-01 -5.72685813725E-05 4.50028302311E-02 1.57897062726E-01
|
|
3.4681300E-01 3.65597308083E-05 -4.78676920691E-04 4.32182335141E-01
|
|
1.5185500E-01 -2.45422520798E-05 1.36920370558E-03 4.35312170329E-01
|
|
6.3856000E-02 3.42665507852E-06 -8.28060721950E-05 1.54277757579E-01
|
|
Se p
|
|
7.5259900E-01 9.99974955374E-01
|
|
Se p
|
|
3.4681300E-01 9.99988458067E-01
|
|
Se p
|
|
1.5185500E-01 9.99994946087E-01
|
|
Se p
|
|
6.3856000E-02 9.99997874763E-01
|
|
Se p
|
|
2.4975000E-02 9.99999168783E-01
|
|
Se d
|
|
1.6350663E+03 7.25558699978E-05
|
|
4.9467266E+02 6.28640009748E-04
|
|
1.9284388E+02 3.64476534156E-03
|
|
8.5782195E+01 1.52737412091E-02
|
|
4.1149966E+01 4.78308086760E-02
|
|
2.0678170E+01 1.16944999497E-01
|
|
1.0726386E+01 2.14752341685E-01
|
|
5.6124540E+00 2.91657604679E-01
|
|
2.9203760E+00 2.99813781925E-01
|
|
1.4981840E+00 2.14970333645E-01
|
|
7.3599900E-01 8.74572443307E-02
|
|
3.1600400E-01 1.23423501311E-02
|
|
1.3310000E-01 1.60673791185E-04
|
|
Se d
|
|
1.4981840E+00 9.99930218994E-01
|
|
Se d
|
|
7.3599900E-01 9.99965712636E-01
|
|
Se d
|
|
3.1600400E-01 9.99985277004E-01
|
|
Se d
|
|
1.3310000E-01 9.99993798425E-01
|
|
Se d
|
|
5.4800000E-02 9.99997446633E-01
|
|
Se f
|
|
8.4420000E-01 9.99949439913E-01
|
|
Se f
|
|
4.2110000E-01 9.99974776333E-01
|
|
Se f
|
|
2.1000000E-01 9.99987420236E-01
|
|
Se f
|
|
9.9200000E-02 9.99994057342E-01
|
|
Se g
|
|
8.6590000E-01 9.99936620363E-01
|
|
Se g
|
|
3.8500000E-01 9.99971814430E-01
|
|
Se g
|
|
1.8300000E-01 9.99986601613E-01
|
|
Se h
|
|
7.2350000E-01 9.99937414589E-01
|
|
Se h
|
|
4.0200000E-01 9.99965220202E-01
|
|
end
|
|
basis "Br_aug-cc-pv5z_pt_sf_lc" SPHERICAL
|
|
Br s
|
|
1.6573515E+08 5.60557686213E-06 -1.81030277453E-06 7.21916809897E-07 -2.21920552064E-07
|
|
2.4774379E+07 1.62960925140E-05 -5.26925454017E-06 2.10157179438E-06 -6.46024704927E-07
|
|
5.6282020E+06 4.57089061757E-05 -1.48068539766E-05 5.90713748706E-06 -1.81603917389E-06
|
|
1.5918997E+06 1.17327362211E-04 -3.80923394374E-05 1.52002138056E-05 -4.67274295138E-06
|
|
5.1826380E+05 2.99692943045E-04 -9.75816351575E-05 3.89568023209E-05 -1.19784263070E-05
|
|
1.8649092E+05 7.55563946101E-04 -2.46647511565E-04 9.84855000126E-05 -3.02766983311E-05
|
|
7.2332493E+04 1.90068355188E-03 -6.22730449850E-04 2.48819487895E-04 -7.65228815483E-05
|
|
2.9761135E+04 4.71606671022E-03 -1.55085881032E-03 6.19802432897E-04 -1.90550552192E-04
|
|
1.2851712E+04 1.14527447153E-02 -3.79581019593E-03 1.51902790294E-03 -4.67322500762E-04
|
|
5.7809430E+03 2.68318107500E-02 -9.00527344487E-03 3.60831612759E-03 -1.10965586457E-03
|
|
2.6950098E+03 5.94131490152E-02 -2.04990722476E-02 8.24746633016E-03 -2.53967833407E-03
|
|
1.2976604E+03 1.20258961219E-01 -4.36324738660E-02 1.76624557760E-02 -5.43929919039E-03
|
|
6.4363493E+02 2.10682940165E-01 -8.44922903224E-02 3.46924940781E-02 -1.07187744658E-02
|
|
3.2795194E+02 2.91142340703E-01 -1.39222232753E-01 5.85485479648E-02 -1.81289429547E-02
|
|
1.7092262E+02 2.69818263123E-01 -1.71592122985E-01 7.54859352013E-02 -2.35933798652E-02
|
|
9.0250141E+01 1.29510778441E-01 -7.91021107766E-02 3.62973247447E-02 -1.13416911703E-02
|
|
4.6292467E+01 1.96916504219E-02 2.30380298423E-01 -1.29413111085E-01 4.17448194846E-02
|
|
2.4848661E+01 -1.20231931249E-05 5.13937011310E-01 -3.87182651134E-01 1.32302071401E-01
|
|
1.3347137E+01 4.10082190964E-04 3.58949912476E-01 -3.63544179713E-01 1.28121686491E-01
|
|
6.9482580E+00 -2.14497030766E-04 7.32074702459E-02 1.60699079601E-01 -6.67548604974E-02
|
|
3.6250750E+00 5.90688065081E-05 2.98414755444E-03 6.47879566999E-01 -3.16127594555E-01
|
|
1.8821530E+00 -5.45874169139E-05 1.36500752090E-03 4.43589302004E-01 -3.93782545040E-01
|
|
9.1082200E-01 2.58244295165E-05 -2.47843470157E-04 5.95748908268E-02 2.14534598165E-02
|
|
4.6395700E-01 -1.20386398867E-05 8.34013401939E-05 -8.72390440584E-04 5.56602590912E-01
|
|
2.1693300E-01 5.09873576913E-06 -5.63415406335E-05 1.10322646086E-03 5.41415355295E-01
|
|
9.8406000E-02 -1.05622251420E-06 6.67126186941E-06 -1.28870130319E-05 1.25356624083E-01
|
|
Br s
|
|
9.1082200E-01 9.99981813377E-01
|
|
Br s
|
|
4.6395700E-01 9.99990735594E-01
|
|
Br s
|
|
2.1693300E-01 9.99995668112E-01
|
|
Br s
|
|
9.8406000E-02 9.99998034926E-01
|
|
Br s
|
|
3.9106000E-02 9.99999219085E-01
|
|
Br p
|
|
3.9391530E+04 1.31626673885E-04 -5.30880539066E-05 1.37195057636E-05
|
|
9.3252225E+03 4.85523214683E-04 -1.96220271841E-04 5.06588200692E-05
|
|
3.0289943E+03 2.16480451864E-03 -8.77957868417E-04 2.27204814309E-04
|
|
1.1595145E+03 8.35271465540E-03 -3.40626927764E-03 8.80122715017E-04
|
|
4.9268131E+02 2.83853303554E-02 -1.17272672464E-02 3.04276576612E-03
|
|
2.2517451E+02 8.08360036995E-02 -3.42127594114E-02 8.88027544025E-03
|
|
1.0859326E+02 1.84206898038E-01 -8.11262403887E-02 2.12341936707E-02
|
|
5.4336079E+01 3.11546111588E-01 -1.44311617048E-01 3.78840614442E-02
|
|
2.7936650E+01 3.41495145378E-01 -1.62779528501E-01 4.32626593369E-02
|
|
1.4539626E+01 1.89895048807E-01 -3.08882113320E-03 -4.51378008057E-03
|
|
7.4213070E+00 3.89109310162E-02 3.11193565093E-01 -9.96481750254E-02
|
|
3.7303890E+00 2.19092010851E-03 4.79421361623E-01 -1.68938216050E-01
|
|
1.8541270E+00 6.65096648297E-04 2.87313376436E-01 -1.06624265919E-01
|
|
8.4533700E-01 -7.64686007369E-05 4.49370734652E-02 1.82929850068E-01
|
|
3.9215200E-01 3.82753739932E-05 -1.74555036965E-04 4.48684270329E-01
|
|
1.7276700E-01 -2.89784383001E-05 1.42496745262E-03 4.18814212366E-01
|
|
7.2908000E-02 3.40409902919E-06 -4.19175839829E-05 1.34457047140E-01
|
|
Br p
|
|
8.4533700E-01 9.99971869761E-01
|
|
Br p
|
|
3.9215200E-01 9.99986949294E-01
|
|
Br p
|
|
1.7276700E-01 9.99994250133E-01
|
|
Br p
|
|
7.2908000E-02 9.99997573501E-01
|
|
Br p
|
|
2.9052000E-02 9.99999033094E-01
|
|
Br d
|
|
1.8506354E+03 6.75698694888E-05
|
|
5.5707125E+02 5.86856574991E-04
|
|
2.1648687E+02 3.42902630358E-03
|
|
9.6138850E+01 1.45464211450E-02
|
|
4.6126380E+01 4.61601714293E-02
|
|
2.3201164E+01 1.14367664150E-01
|
|
1.2055926E+01 2.13407187232E-01
|
|
6.3255450E+00 2.94007335753E-01
|
|
3.3049220E+00 3.03761732627E-01
|
|
1.7042530E+00 2.13448867097E-01
|
|
8.3994000E-01 8.22196281418E-02
|
|
3.5695300E-01 1.06026970994E-02
|
|
1.5200000E-01 1.18524158469E-04
|
|
Br d
|
|
1.7042530E+00 9.99920625096E-01
|
|
Br d
|
|
8.3994000E-01 9.99960871467E-01
|
|
Br d
|
|
3.5695300E-01 9.99983369317E-01
|
|
Br d
|
|
1.5200000E-01 9.99992917845E-01
|
|
Br d
|
|
7.8100000E-02 9.99996361008E-01
|
|
Br f
|
|
9.6270000E-01 9.99942345066E-01
|
|
Br f
|
|
4.9550000E-01 9.99970320539E-01
|
|
Br f
|
|
2.5500000E-01 9.99984724799E-01
|
|
Br f
|
|
1.3880000E-01 9.99991685180E-01
|
|
Br g
|
|
9.7680000E-01 9.99928506218E-01
|
|
Br g
|
|
4.3900000E-01 9.99967861828E-01
|
|
Br g
|
|
2.1900000E-01 9.99983966098E-01
|
|
Br h
|
|
8.1930000E-01 9.99929130766E-01
|
|
Br h
|
|
4.9100000E-01 9.99957521996E-01
|
|
end
|
|
basis "Kr_aug-cc-pv5z_pt_sf_lc" SPHERICAL
|
|
Kr s
|
|
1.8282209E+08 5.80889980071E-06 -1.88417815452E-06 7.58561384287E-07 -2.42198729936E-07
|
|
2.7356156E+07 1.67471636416E-05 -5.43876581397E-06 2.18993402775E-06 -6.99199732948E-07
|
|
6.2211704E+06 4.65643265448E-05 -1.51499353296E-05 6.10178571511E-06 -1.94841013343E-06
|
|
1.7602779E+06 1.18221762306E-04 -3.85525084254E-05 1.55313285125E-05 -4.95898087920E-06
|
|
5.7319382E+05 2.98568453521E-04 -9.76544663742E-05 3.93590893213E-05 -1.25703547874E-05
|
|
2.0625845E+05 7.44228778928E-04 -2.44078108132E-04 9.83987263001E-05 -3.14181269175E-05
|
|
8.0026669E+04 1.85280699371E-03 -6.09942173822E-04 2.46048890845E-04 -7.86016561678E-05
|
|
3.2939084E+04 4.56118094646E-03 -1.50716114670E-03 6.08170950197E-04 -1.94189564071E-04
|
|
1.4222633E+04 1.10235039071E-02 -3.67073113840E-03 1.48305076244E-03 -4.73946248918E-04
|
|
6.3930707E+03 2.57795959378E-02 -8.68914169582E-03 3.51525902729E-03 -1.12271345864E-03
|
|
2.9764538E+03 5.71634847111E-02 -1.97880849162E-02 8.03642330239E-03 -2.57076312037E-03
|
|
1.4305254E+03 1.16297963984E-01 -4.22569624962E-02 1.72664802852E-02 -5.52203423531E-03
|
|
7.0792621E+02 2.05725236068E-01 -8.23472296329E-02 3.41105749523E-02 -1.09489745635E-02
|
|
3.5984847E+02 2.88816177046E-01 -1.37113963641E-01 5.81545359822E-02 -1.86977973649E-02
|
|
1.8714965E+02 2.74582434965E-01 -1.72454404340E-01 7.64258242654E-02 -2.48256870743E-02
|
|
9.8634523E+01 1.37237310183E-01 -8.75618264708E-02 4.06175450442E-02 -1.31692586944E-02
|
|
5.0547869E+01 2.21873715125E-02 2.15083544030E-01 -1.21716611162E-01 4.07301621825E-02
|
|
2.7167004E+01 -7.62172313593E-05 5.09591725889E-01 -3.83224935769E-01 1.36296311398E-01
|
|
1.4615098E+01 4.99426457892E-04 3.71898826478E-01 -3.79196594918E-01 1.39041637457E-01
|
|
7.6513520E+00 -2.60787969461E-04 8.07215107242E-02 1.36941965634E-01 -5.86634197701E-02
|
|
3.9972630E+00 8.37183455474E-05 3.54890222838E-03 6.52033455407E-01 -3.34505067686E-01
|
|
2.0858530E+00 -6.97643701209E-05 1.37712494082E-03 4.56880179870E-01 -4.20210467606E-01
|
|
1.0147970E+00 3.44124236135E-05 -2.70401946106E-04 6.29941720577E-02 3.76193500270E-02
|
|
5.1978800E-01 -1.60313956698E-05 7.49543902746E-05 -6.47290262733E-04 5.74869397324E-01
|
|
2.4510300E-01 6.77265895767E-06 -6.12030118641E-05 1.27375356079E-03 5.31884308023E-01
|
|
1.1189600E-01 -1.40320520606E-06 6.27101583558E-06 -7.58619543985E-06 1.17336203445E-01
|
|
Kr s
|
|
1.0147970E+00 9.99979737512E-01
|
|
Kr s
|
|
5.1978800E-01 9.99989620810E-01
|
|
Kr s
|
|
2.4510300E-01 9.99995105606E-01
|
|
Kr s
|
|
1.1189600E-01 9.99997765547E-01
|
|
Kr s
|
|
4.4277000E-02 9.99999115825E-01
|
|
Kr p
|
|
4.2993056E+04 1.34311042813E-04 -5.49020684323E-05 1.49034093451E-05
|
|
1.0173723E+04 4.80607883675E-04 -1.96885847322E-04 5.33880137288E-05
|
|
3.3031057E+03 2.11344290961E-03 -8.68759449746E-04 2.36188991217E-04
|
|
1.2635400E+03 8.09999626752E-03 -3.34832641643E-03 9.08675953470E-04
|
|
5.3636546E+02 2.75418377660E-02 -1.15307743308E-02 3.14340290301E-03
|
|
2.4487617E+02 7.87513106279E-02 -3.37710593264E-02 9.20800704780E-03
|
|
1.1799117E+02 1.80764464712E-01 -8.06430527268E-02 2.21863239450E-02
|
|
5.9021248E+01 3.08653608728E-01 -1.44879823806E-01 3.99726485001E-02
|
|
3.0356067E+01 3.42987887157E-01 -1.65965676695E-01 4.64269131280E-02
|
|
1.5819977E+01 1.94917384783E-01 -9.45566719655E-03 -3.12488357008E-03
|
|
8.1045800E+00 4.13832974993E-02 3.06972611993E-01 -1.04188243161E-01
|
|
4.0979640E+00 2.33924066153E-03 4.82698682909E-01 -1.81952212491E-01
|
|
2.0560610E+00 6.73098131985E-04 2.89266491651E-01 -1.11476769045E-01
|
|
9.5214500E-01 -8.74920867316E-05 4.55642104028E-02 2.00181014172E-01
|
|
4.4477400E-01 4.97281612544E-05 -4.07223314486E-04 4.57566775181E-01
|
|
1.9749600E-01 -2.32013990696E-05 8.83163387968E-04 4.06664983181E-01
|
|
8.3823000E-02 6.16993868240E-06 -1.75677633809E-04 1.25204166543E-01
|
|
Kr p
|
|
9.5214500E-01 9.99968316136E-01
|
|
Kr p
|
|
4.4477400E-01 9.99985198192E-01
|
|
Kr p
|
|
1.9749600E-01 9.99993427156E-01
|
|
Kr p
|
|
8.3823000E-02 9.99997210237E-01
|
|
Kr p
|
|
3.3129000E-02 9.99998897404E-01
|
|
Kr d
|
|
2.0674360E+03 6.37616539764E-05
|
|
6.2569371E+02 5.42301688068E-04
|
|
2.4394679E+02 3.16075510589E-03
|
|
1.0842373E+02 1.35659834086E-02
|
|
5.2005216E+01 4.38936136546E-02
|
|
2.6115405E+01 1.11100936556E-01
|
|
1.3546748E+01 2.11943594765E-01
|
|
7.1058100E+00 2.96576598752E-01
|
|
3.7215540E+00 3.07571236156E-01
|
|
1.9291200E+00 2.12381504475E-01
|
|
9.5582600E-01 7.87210791340E-02
|
|
4.0519700E-01 9.65427904625E-03
|
|
1.7410000E-01 1.14228431696E-04
|
|
Kr d
|
|
1.9291200E+00 9.99910157179E-01
|
|
Kr d
|
|
9.5582600E-01 9.99955474250E-01
|
|
Kr d
|
|
4.0519700E-01 9.99981121830E-01
|
|
Kr d
|
|
1.7410000E-01 9.99991888183E-01
|
|
Kr d
|
|
1.0140000E-01 9.99995275396E-01
|
|
Kr f
|
|
1.0940000E+00 9.99934484501E-01
|
|
Kr f
|
|
5.8700000E-01 9.99964840932E-01
|
|
Kr f
|
|
3.1500000E-01 9.99981131007E-01
|
|
Kr f
|
|
1.7840000E-01 9.99989313080E-01
|
|
Kr g
|
|
1.1040000E+00 9.99919200353E-01
|
|
Kr g
|
|
5.0100000E-01 9.99963323868E-01
|
|
Kr g
|
|
2.5500000E-01 9.99981330658E-01
|
|
Kr h
|
|
9.3030000E-01 9.99919533544E-01
|
|
Kr h
|
|
5.8000000E-01 9.99949824441E-01
|
|
end
|