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1701 lines
64 KiB
Text
1701 lines
64 KiB
Text
# $Id$
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basis "H_aug-cc-pv5z_fi_sf_lc" SPHERICAL
|
|
H s
|
|
4.0200000E+02 2.79716920746E-04
|
|
6.0240000E+01 2.16631832038E-03
|
|
1.3730000E+01 1.12037816271E-02
|
|
3.9050000E+00 4.48824001152E-02
|
|
1.2830000E+00 1.42305440702E-01
|
|
4.6550000E-01 3.30980907932E-01
|
|
1.8110000E-01 4.36258619137E-01
|
|
7.2790000E-02 1.76432015294E-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
|
|
H d
|
|
2.9500000E+00 9.99862648749E-01
|
|
H d
|
|
1.2060000E+00 9.99943823862E-01
|
|
H d
|
|
4.9300000E-01 9.99977031596E-01
|
|
H d
|
|
1.5600000E-01 9.99992731480E-01
|
|
H f
|
|
8.7500000E-01 9.99947595798E-01
|
|
H f
|
|
2.5060000E+00 9.99849994944E-01
|
|
H f
|
|
2.7400000E-01 9.99983586749E-01
|
|
H g
|
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2.3580000E+00 9.99827509546E-01
|
|
H g
|
|
5.4300000E-01 9.99960249894E-01
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end
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basis "He_aug-cc-pv5z_fi_sf_lc" SPHERICAL
|
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He s
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1.1450000E+03 3.59818631434E-04
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1.7170000E+02 2.77464365664E-03
|
|
3.9070000E+01 1.42597781951E-02
|
|
1.1040000E+01 5.55816753829E-02
|
|
3.5660000E+00 1.62106362484E-01
|
|
1.2400000E+00 3.32197064984E-01
|
|
4.4730000E-01 4.19591328756E-01
|
|
1.6400000E-01 1.86104367490E-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
|
|
2.6470000E+00 9.99876746790E-01
|
|
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
|
|
7.8990000E-01 9.99942181422E-01
|
|
end
|
|
basis "B_aug-cc-pv5z_fi_sf_lc" SPHERICAL
|
|
B s
|
|
6.8260000E+04 2.53904925073E-05 -5.12478778301E-06
|
|
1.0230000E+04 1.89449907906E-04 -3.83533604908E-05
|
|
2.3280000E+03 9.82329664465E-04 -1.98172686002E-04
|
|
6.6040000E+02 4.08391835602E-03 -8.30323191825E-04
|
|
2.1620000E+02 1.44551113470E-02 -2.93603688093E-03
|
|
7.8600000E+01 4.39950113424E-02 -9.16316970453E-03
|
|
3.0980000E+01 1.13172671051E-01 -2.41437706657E-02
|
|
1.2960000E+01 2.33890580504E-01 -5.48021026602E-02
|
|
5.6590000E+00 3.53871934101E-01 -9.69609651251E-02
|
|
2.5560000E+00 3.01330015284E-01 -1.37447821272E-01
|
|
1.1750000E+00 8.74215902405E-02 -4.43117942664E-02
|
|
4.2490000E-01 2.81453454848E-03 3.24633161447E-01
|
|
1.7120000E-01 4.27107028878E-05 5.70310619781E-01
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|
6.9130000E-02 7.80428644680E-05 2.43144725647E-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
|
|
6.6440000E+01 8.43814242972E-04
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|
1.5710000E+01 6.41745121148E-03
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|
4.9360000E+00 2.80895485605E-02
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|
1.7700000E+00 9.21475158361E-02
|
|
7.0080000E-01 2.24122123793E-01
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|
2.9010000E-01 3.69850149149E-01
|
|
1.2110000E-01 3.74458209434E-01
|
|
4.9730000E-02 1.39192276315E-01
|
|
B p
|
|
7.0080000E-01 9.99976678895E-01
|
|
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
|
|
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
|
|
B f
|
|
5.2500000E-01 9.99968553854E-01
|
|
B f
|
|
2.2700000E-01 9.99986401950E-01
|
|
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_fi_sf_lc" SPHERICAL
|
|
C s
|
|
9.6770000E+04 2.68828071337E-05 -5.74318064322E-06
|
|
1.4500000E+04 1.97330516853E-04 -4.22629017292E-05
|
|
3.3000000E+03 1.01794344181E-03 -2.17428393763E-04
|
|
9.3580000E+02 4.22507611988E-03 -9.08761563663E-04
|
|
3.0620000E+02 1.49436098486E-02 -3.21666168067E-03
|
|
1.1130000E+02 4.54430604933E-02 -1.00267917871E-02
|
|
4.3900000E+01 1.16679601674E-01 -2.65074121441E-02
|
|
1.8400000E+01 2.40353736566E-01 -6.02323070171E-02
|
|
8.0540000E+00 3.58683495940E-01 -1.07171940030E-01
|
|
3.6370000E+00 2.93648842761E-01 -1.44537931503E-01
|
|
1.6560000E+00 7.74626468108E-02 -2.41705065745E-02
|
|
6.3330000E-01 2.28357994701E-03 3.52356365036E-01
|
|
2.5450000E-01 5.02925017006E-04 5.58575447230E-01
|
|
1.0190000E-01 3.53884943563E-05 2.24878120824E-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 8.92923874470E-04
|
|
2.4040000E+01 6.93856263251E-03
|
|
7.5710000E+00 3.14711442873E-02
|
|
2.7320000E+00 1.03518254995E-01
|
|
1.0850000E+00 2.38499452296E-01
|
|
4.4960000E-01 3.64027431435E-01
|
|
1.8760000E-01 3.54087846690E-01
|
|
7.6060000E-02 1.48354370988E-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_fi_sf_lc" SPHERICAL
|
|
N s
|
|
1.2920000E+05 2.86096360557E-05 -6.34088060231E-06
|
|
1.9350000E+04 2.06207330560E-04 -4.57951982185E-05
|
|
4.4040000E+03 1.05794748726E-03 -2.34503624708E-04
|
|
1.2480000E+03 4.38310858968E-03 -9.77520687582E-04
|
|
4.0800000E+02 1.54989916900E-02 -3.46507334758E-03
|
|
1.4820000E+02 4.70671646264E-02 -1.07808361402E-02
|
|
5.8500000E+01 1.20363873380E-01 -2.85205804735E-02
|
|
2.4590000E+01 2.45842679636E-01 -6.44615898239E-02
|
|
1.0810000E+01 3.61227676254E-01 -1.14649018270E-01
|
|
4.8820000E+00 2.86888256404E-01 -1.47767101117E-01
|
|
2.1950000E+00 6.98539177491E-02 -6.29542674811E-03
|
|
8.7150000E-01 1.73997109158E-03 3.72606524042E-01
|
|
3.5040000E-01 8.28754053343E-04 5.47260137054E-01
|
|
1.3970000E-01 4.97860054427E-06 2.10687416682E-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 8.94929187919E-04
|
|
3.4760000E+01 7.03387563629E-03
|
|
1.1000000E+01 3.25594136214E-02
|
|
3.9950000E+00 1.07630160826E-01
|
|
1.5870000E+00 2.43363670748E-01
|
|
6.5330000E-01 3.62512363893E-01
|
|
2.6860000E-01 3.47513212431E-01
|
|
1.0670000E-01 1.55112874412E-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_fi_sf_lc" SPHERICAL
|
|
O s
|
|
1.6420000E+05 3.07617627220E-05 -6.99753515054E-06
|
|
2.4590000E+04 2.17539178990E-04 -4.95663904618E-05
|
|
5.5920000E+03 1.11035686965E-03 -2.52677600379E-04
|
|
1.5820000E+03 4.60006602830E-03 -1.05254772775E-03
|
|
5.1610000E+02 1.62666307669E-02 -3.73668355124E-03
|
|
1.8720000E+02 4.93497691707E-02 -1.16128291091E-02
|
|
7.3930000E+01 1.25175159918E-01 -3.06080142683E-02
|
|
3.1220000E+01 2.51843325815E-01 -6.83875219876E-02
|
|
1.3810000E+01 3.62126187082E-01 -1.20608198481E-01
|
|
6.2560000E+00 2.78472101800E-01 -1.48206870118E-01
|
|
2.7760000E+00 6.33120502375E-02 1.08451491987E-02
|
|
1.1380000E+00 1.04089725273E-03 3.86407103994E-01
|
|
4.6000000E-01 1.13885369263E-03 5.36206185049E-01
|
|
1.8290000E-01 -3.63539107839E-05 2.00612527211E-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 9.34401229908E-04
|
|
4.6160000E+01 7.41114006692E-03
|
|
1.4580000E+01 3.49708643447E-02
|
|
5.2960000E+00 1.15370252682E-01
|
|
2.0940000E+00 2.55814311661E-01
|
|
8.4710000E-01 3.71379690870E-01
|
|
3.3680000E-01 3.43383124472E-01
|
|
1.2850000E-01 1.35332018489E-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_fi_sf_lc" SPHERICAL
|
|
F s
|
|
2.1140000E+05 3.14490761214E-05 -7.29407078392E-06
|
|
3.1660000E+04 2.17373896406E-04 -5.04976934070E-05
|
|
7.2020000E+03 1.09950424278E-03 -2.55128473214E-04
|
|
2.0400000E+03 4.53051865142E-03 -1.05692501759E-03
|
|
6.6640000E+02 1.59650581767E-02 -3.73966615663E-03
|
|
2.4200000E+02 4.84446272110E-02 -1.16226802284E-02
|
|
9.5530000E+01 1.23637196026E-01 -3.08404235042E-02
|
|
4.0230000E+01 2.51720545970E-01 -6.97835054940E-02
|
|
1.7720000E+01 3.64128220451E-01 -1.24086190899E-01
|
|
8.0050000E+00 2.79011552530E-01 -1.49841684988E-01
|
|
3.5380000E+00 6.32874042383E-02 1.75296378777E-02
|
|
1.4580000E+00 1.10704938961E-03 3.93413120368E-01
|
|
5.8870000E-01 1.25260876957E-03 5.31610594130E-01
|
|
2.3240000E-01 -3.44481517516E-05 1.95457657182E-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 1.02650908410E-03
|
|
5.7170000E+01 8.10699116727E-03
|
|
1.8130000E+01 3.81452266891E-02
|
|
6.6240000E+00 1.23870714520E-01
|
|
2.6220000E+00 2.66040078817E-01
|
|
1.0570000E+00 3.71671991179E-01
|
|
4.1760000E-01 3.32823965798E-01
|
|
1.5740000E-01 1.28591122095E-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_fi_sf_lc" SPHERICAL
|
|
Ne s
|
|
2.6270000E+05 3.26401283946E-05 -7.68684411080E-06
|
|
3.9350000E+04 2.20056761315E-04 -5.18961939045E-05
|
|
8.9550000E+03 1.10370608830E-03 -2.60098728803E-04
|
|
2.5380000E+03 4.52080759554E-03 -1.07056995260E-03
|
|
8.2990000E+02 1.58945310443E-02 -3.78213995472E-03
|
|
3.0150000E+02 4.81700122006E-02 -1.17312859972E-02
|
|
1.1900000E+02 1.23448559933E-01 -3.13125855929E-02
|
|
5.0000000E+01 2.52736531722E-01 -7.12439924000E-02
|
|
2.1980000E+01 3.65811574925E-01 -1.27387236485E-01
|
|
9.8910000E+00 2.78675746287E-01 -1.50724222365E-01
|
|
4.3270000E+00 6.13386272057E-02 2.60275630232E-02
|
|
1.8040000E+00 9.30773471523E-04 4.00645920554E-01
|
|
7.2880000E-01 1.35995266705E-03 5.25893290600E-01
|
|
2.8670000E-01 -3.71796206926E-05 1.89538689822E-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 1.07025619030E-03
|
|
7.0730000E+01 8.44508838917E-03
|
|
2.2480000E+01 3.98253413776E-02
|
|
8.2460000E+00 1.28182315106E-01
|
|
3.2690000E+00 2.70308977609E-01
|
|
1.3150000E+00 3.70810989111E-01
|
|
5.1580000E-01 3.28404599970E-01
|
|
1.9180000E-01 1.27687511708E-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_fi_sf_lc" SPHERICAL
|
|
Al s
|
|
3.2690000E+06 4.72062065105E-06 -1.23249042519E-06 2.84678777785E-07
|
|
4.8940000E+05 2.40643515718E-05 -6.28879418909E-06 1.45162065442E-06
|
|
1.1140000E+05 1.07086558369E-04 -2.79790096296E-05 6.46623356247E-06
|
|
3.1560000E+04 4.13723807358E-04 -1.08251186398E-04 2.49759213761E-05
|
|
1.0320000E+04 1.43493095985E-03 -3.75451353138E-04 8.68300013751E-05
|
|
3.7310000E+03 4.54695224615E-03 -1.19496028474E-03 2.75628719899E-04
|
|
1.4560000E+03 1.32460932525E-02 -3.49929852523E-03 8.10388763034E-04
|
|
6.0410000E+02 3.53921463234E-02 -9.52153812949E-03 2.19848763401E-03
|
|
2.6350000E+02 8.51144146293E-02 -2.36382375593E-02 5.50003061279E-03
|
|
1.1980000E+02 1.76551724728E-01 -5.28067053781E-02 1.22762340347E-02
|
|
5.6320000E+01 2.91961534028E-01 -1.00326779118E-01 2.37834317640E-02
|
|
2.7190000E+01 3.26949611554E-01 -1.50404190577E-01 3.60484865638E-02
|
|
1.3260000E+01 1.85671220585E-01 -1.17518015229E-01 2.99469168075E-02
|
|
6.0520000E+00 3.07576352068E-02 1.10615707573E-01 -3.17211591050E-02
|
|
2.9810000E+00 -4.99343040682E-04 4.12191037450E-01 -1.19488737223E-01
|
|
1.4760000E+00 1.47354050731E-03 4.55687817138E-01 -2.11596151175E-01
|
|
7.3340000E-01 -2.74569677380E-04 1.73887716943E-01 -1.55668525469E-01
|
|
2.4470000E-01 1.17332018957E-04 7.53574545957E-03 3.41740460050E-01
|
|
1.0880000E-01 -6.53597495306E-05 -1.62364468381E-03 6.11897207579E-01
|
|
4.6720000E-02 1.73783385864E-05 4.35710305651E-04 2.33304360833E-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 2.35640722382E-04 -4.20237411746E-05
|
|
3.4620000E+02 1.87178415319E-03 -3.39452303646E-04
|
|
1.1220000E+02 9.88447336886E-03 -1.76851520307E-03
|
|
4.2510000E+01 3.80783035328E-02 -6.98906447843E-03
|
|
1.7720000E+01 1.11216697846E-01 -2.03228994787E-02
|
|
7.8520000E+00 2.34424686727E-01 -4.48446106402E-02
|
|
3.5710000E+00 3.45087792376E-01 -6.42280988103E-02
|
|
1.6370000E+00 3.31072888685E-01 -7.51099221140E-02
|
|
7.3820000E-01 1.46938906814E-01 7.52338900536E-04
|
|
2.5770000E-01 1.21679208923E-02 2.87405368890E-01
|
|
9.7730000E-02 -8.75788675287E-04 5.42524986318E-01
|
|
3.6900000E-02 4.39621312363E-04 3.02793372738E-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_fi_sf_lc" SPHERICAL
|
|
Si s
|
|
3.9480000E+06 4.95122874367E-06 -1.32457812667E-06 3.40059716210E-07
|
|
5.9110000E+05 2.42487858223E-05 -6.49347497026E-06 1.66614589291E-06
|
|
1.3450000E+05 1.05462719951E-04 -2.82408460322E-05 7.25422972706E-06
|
|
3.8120000E+04 4.01848700326E-04 -1.07748218604E-04 2.76359437946E-05
|
|
1.2460000E+04 1.38493213121E-03 -3.71426573850E-04 9.54708138016E-05
|
|
4.5040000E+03 4.36718742025E-03 -1.17601460179E-03 3.01569722195E-04
|
|
1.7580000E+03 1.27000981883E-02 -3.43828685021E-03 8.84977685649E-04
|
|
7.2910000E+02 3.39622605457E-02 -9.35597650199E-03 2.40203535800E-03
|
|
3.1800000E+02 8.18637597492E-02 -2.32726972719E-02 6.01911862328E-03
|
|
1.4460000E+02 1.71062966616E-01 -5.22561798113E-02 1.35158180589E-02
|
|
6.7970000E+01 2.86791561636E-01 -1.00377899936E-01 2.64690241794E-02
|
|
3.2820000E+01 3.28910108386E-01 -1.52602119922E-01 4.07872717763E-02
|
|
1.6030000E+01 1.95093522039E-01 -1.25666396815E-01 3.56887776795E-02
|
|
7.3960000E+00 3.50785024758E-02 9.77283846739E-02 -3.14609687026E-02
|
|
3.6610000E+00 -5.24820526561E-04 4.15434670922E-01 -1.36998308546E-01
|
|
1.8230000E+00 1.59576668188E-03 4.66048589994E-01 -2.50861014696E-01
|
|
9.1470000E-01 -3.67293382883E-04 1.71533639576E-01 -1.55796797376E-01
|
|
3.3930000E-01 1.44431756516E-04 8.19980999537E-03 3.76238456682E-01
|
|
1.5000000E-01 -7.77675316260E-05 -9.77836972906E-04 6.15124888921E-01
|
|
6.4380000E-02 1.89304862775E-05 3.59343669831E-04 2.18762184121E-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 2.32824812865E-04 -4.91339304473E-05
|
|
4.2180000E+02 1.82172719836E-03 -3.90098866904E-04
|
|
1.3670000E+02 9.65997475567E-03 -2.04658802628E-03
|
|
5.1810000E+01 3.75381576364E-02 -8.14433041064E-03
|
|
2.1600000E+01 1.11165350050E-01 -2.41442564553E-02
|
|
9.5630000E+00 2.38121817442E-01 -5.40769111195E-02
|
|
4.3500000E+00 3.53500964399E-01 -7.92354553245E-02
|
|
2.0060000E+00 3.28352483861E-01 -8.84741233358E-02
|
|
9.2050000E-01 1.32180643317E-01 2.06030529699E-02
|
|
3.5000000E-01 1.03903412743E-02 3.30496878820E-01
|
|
1.3810000E-01 -5.68386419222E-05 5.16412820031E-01
|
|
5.3380000E-02 3.28879020664E-04 2.77593743542E-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_fi_sf_lc" SPHERICAL
|
|
P s
|
|
4.6660000E+06 5.25043217577E-06 -1.43402720718E-06 3.95462559455E-07
|
|
6.9860000E+05 2.47864785630E-05 -6.77692840377E-06 1.86815455901E-06
|
|
1.5900000E+05 1.05402405994E-04 -2.88218512924E-05 7.95188708388E-06
|
|
4.5040000E+04 3.96695752084E-04 -1.08614969904E-04 2.99331297930E-05
|
|
1.4720000E+04 1.35496176574E-03 -3.71111482129E-04 1.02446251534E-04
|
|
5.3230000E+03 4.25622861403E-03 -1.17032804519E-03 3.22507581740E-04
|
|
2.0760000E+03 1.23613372343E-02 -3.41733428199E-03 9.44568329706E-04
|
|
8.6110000E+02 3.29901585048E-02 -9.27648375662E-03 2.55993710004E-03
|
|
3.7570000E+02 7.96710711963E-02 -2.31108885726E-02 6.41892955820E-03
|
|
1.7080000E+02 1.67364987578E-01 -5.21047167150E-02 1.44953195091E-02
|
|
8.0290000E+01 2.82989592594E-01 -1.00755789002E-01 2.85432750158E-02
|
|
3.8770000E+01 3.30333524913E-01 -1.54937967428E-01 4.46537887013E-02
|
|
1.8930000E+01 2.01578107424E-01 -1.31703294708E-01 4.01880112322E-02
|
|
8.7960000E+00 3.78529891010E-02 9.14493956925E-02 -3.15436136317E-02
|
|
4.3580000E+00 -3.75399492555E-04 4.24320742441E-01 -1.54696972709E-01
|
|
2.1740000E+00 1.56531650736E-03 4.72532870557E-01 -2.83454756690E-01
|
|
1.0950000E+00 -4.06270713097E-04 1.62300124203E-01 -1.46080999734E-01
|
|
4.4000000E-01 1.50942682938E-04 8.15403538590E-03 4.04171477741E-01
|
|
1.9450000E-01 -8.11301389238E-05 -2.96764359467E-04 6.12792264694E-01
|
|
8.3760000E-02 1.78881093798E-05 2.93902750748E-04 2.09385672177E-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 2.54379726169E-04 -5.99108689647E-05
|
|
4.7630000E+02 1.96369020249E-03 -4.66519764804E-04
|
|
1.5440000E+02 1.03927647969E-02 -2.46017635392E-03
|
|
5.8510000E+01 4.03628075636E-02 -9.72979443474E-03
|
|
2.4400000E+01 1.19046427792E-01 -2.90293726756E-02
|
|
1.0800000E+01 2.52022082281E-01 -6.37850890405E-02
|
|
4.9130000E+00 3.66255858648E-01 -9.38537742619E-02
|
|
2.2690000E+00 3.15493756318E-01 -9.26604468643E-02
|
|
1.0430000E+00 1.04503068768E-01 5.62601107377E-02
|
|
4.3130000E-01 6.36000338246E-03 3.64583744602E-01
|
|
1.7670000E-01 9.00987997795E-04 4.87345444058E-01
|
|
7.0090000E-02 1.79466180642E-04 2.50897026689E-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_fi_sf_lc" SPHERICAL
|
|
S s
|
|
5.4810000E+06 5.55285587744E-06 -1.54391534740E-06 4.48734612722E-07
|
|
8.2060000E+05 2.53185243848E-05 -7.04727453063E-06 2.04769575845E-06
|
|
1.8670000E+05 1.05313059713E-04 -2.93230226741E-05 8.52626050336E-06
|
|
5.2880000E+04 3.90781211185E-04 -1.08937981568E-04 3.16477183329E-05
|
|
1.7250000E+04 1.33026738234E-03 -3.71050784258E-04 1.07945285096E-04
|
|
6.2260000E+03 4.15554550644E-03 -1.16333463315E-03 3.37967529987E-04
|
|
2.4290000E+03 1.20361601004E-02 -3.38841345634E-03 9.86970244274E-04
|
|
1.0070000E+03 3.21059909382E-02 -9.18748297397E-03 2.67328053297E-03
|
|
4.3950000E+02 7.75790344216E-02 -2.29001828592E-02 6.70289595685E-03
|
|
1.9980000E+02 1.63752491046E-01 -5.17941712547E-02 1.51996252179E-02
|
|
9.3920000E+01 2.79324405227E-01 -1.00892651516E-01 3.01317627317E-02
|
|
4.5340000E+01 3.31353717600E-01 -1.56655105387E-01 4.77106742973E-02
|
|
2.2150000E+01 2.07774636693E-01 -1.37327977539E-01 4.41988871254E-02
|
|
1.0340000E+01 4.10313397140E-02 8.51986966193E-02 -3.09198863117E-02
|
|
5.1190000E+00 -4.40256156481E-04 4.32893872335E-01 -1.70477431184E-01
|
|
2.5530000E+00 1.66288126064E-03 4.78764577688E-01 -3.11098254926E-01
|
|
1.2820000E+00 -5.08383458973E-04 1.53902554012E-01 -1.32289177655E-01
|
|
5.4500000E-01 1.85550006818E-04 7.62743950396E-03 4.28819411007E-01
|
|
2.4110000E-01 -9.80391365248E-05 3.76260170053E-04 6.10879657709E-01
|
|
1.0350000E-01 2.04538512754E-05 2.25557406782E-04 1.96945774122E-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 2.86087822348E-04 -7.28391123497E-05
|
|
5.2140000E+02 2.18560809926E-03 -5.58113402958E-04
|
|
1.6900000E+02 1.15063075031E-02 -2.94844336455E-03
|
|
6.4050000E+01 4.45369232654E-02 -1.15588219068E-02
|
|
2.6720000E+01 1.29757098359E-01 -3.44243532491E-02
|
|
1.1830000E+01 2.69317008616E-01 -7.35724205540E-02
|
|
5.3780000E+00 3.78213072012E-01 -1.07640114225E-01
|
|
2.4820000E+00 2.96007449927E-01 -8.73183954104E-02
|
|
1.1160000E+00 7.77925931970E-02 1.09464956171E-01
|
|
4.8480000E-01 2.21082856941E-03 4.03927602817E-01
|
|
2.0060000E-01 1.61640409140E-03 4.65399296849E-01
|
|
7.9510000E-02 2.36762885434E-05 1.92293148570E-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_fi_sf_lc" SPHERICAL
|
|
Cl s
|
|
6.4100000E+06 5.84609938619E-06 -1.65084278896E-06 4.99670063512E-07
|
|
9.5960000E+05 2.58250978960E-05 -7.30106673211E-06 2.20941505205E-06
|
|
2.1830000E+05 1.04929250318E-04 -2.96798629840E-05 8.98698933314E-06
|
|
6.1810000E+04 3.84343519027E-04 -1.08840255977E-04 3.29328680991E-05
|
|
2.0140000E+04 1.29737867981E-03 -3.67671223907E-04 1.11382949753E-04
|
|
7.2640000E+03 4.03935907165E-03 -1.14867462017E-03 3.47594400936E-04
|
|
2.8320000E+03 1.16510395871E-02 -3.33209895514E-03 1.01064889963E-03
|
|
1.1750000E+03 3.10382384112E-02 -9.01747689291E-03 2.73325382273E-03
|
|
5.1260000E+02 7.51956870984E-02 -2.25267208987E-02 6.86587253474E-03
|
|
2.3300000E+02 1.59469825214E-01 -5.10974576066E-02 1.56251537529E-02
|
|
1.0950000E+02 2.74822996685E-01 -1.00325262566E-01 3.12048306439E-02
|
|
5.2860000E+01 3.32102542150E-01 -1.57528998326E-01 5.00456942946E-02
|
|
2.5840000E+01 2.15210910975E-01 -1.43336742199E-01 4.80642953757E-02
|
|
1.2170000E+01 4.50316441768E-02 7.40283011516E-02 -2.80025145616E-02
|
|
6.0300000E+00 -1.28163367415E-04 4.32865319168E-01 -1.80162262372E-01
|
|
3.0120000E+00 1.61054919464E-03 4.87394032839E-01 -3.31932044477E-01
|
|
1.5110000E+00 -5.12003419110E-04 1.55028188123E-01 -1.26657027549E-01
|
|
6.6040000E-01 1.76642700443E-04 8.11899333082E-03 4.44777475148E-01
|
|
2.9260000E-01 -9.79979269694E-05 7.43284047980E-04 6.09242309028E-01
|
|
1.2540000E-01 1.87884523089E-05 2.24843684556E-04 1.89839386478E-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 2.89373460916E-04 -7.80239958504E-05
|
|
6.0370000E+02 2.17605210657E-03 -5.87032460965E-04
|
|
1.9560000E+02 1.14666657115E-02 -3.11371012347E-03
|
|
7.4150000E+01 4.45324583707E-02 -1.22186014534E-02
|
|
3.0940000E+01 1.30706707935E-01 -3.68358219506E-02
|
|
1.3690000E+01 2.73281524858E-01 -7.91280064360E-02
|
|
6.2290000E+00 3.83257871034E-01 -1.17221978640E-01
|
|
2.8780000E+00 2.90979009601E-01 -8.54643875986E-02
|
|
1.2820000E+00 7.02013816868E-02 1.40820956267E-01
|
|
5.6410000E-01 1.29924499309E-03 4.22080375656E-01
|
|
2.3480000E-01 1.82295455511E-03 4.45969272643E-01
|
|
9.3120000E-02 2.15579962585E-05 1.66797904306E-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_fi_sf_lc" SPHERICAL
|
|
Ar s
|
|
7.4010000E+06 6.17827375377E-06 -1.76858186319E-06 5.52964463288E-07
|
|
1.1080000E+06 2.65260796753E-05 -7.60257206062E-06 2.37671406574E-06
|
|
2.5210000E+05 1.05409042694E-04 -3.02324246186E-05 9.45612590523E-06
|
|
7.1380000E+04 3.80296911710E-04 -1.09194886949E-04 3.41347469130E-05
|
|
2.3260000E+04 1.27209608990E-03 -3.65608425200E-04 1.14406931980E-04
|
|
8.3900000E+03 3.93722810129E-03 -1.13520256891E-03 3.54919591421E-04
|
|
3.2710000E+03 1.13260673583E-02 -3.28472586769E-03 1.02906789380E-03
|
|
1.3570000E+03 3.01271415214E-02 -8.87025720525E-03 2.77810909385E-03
|
|
5.9200000E+02 7.30881490517E-02 -2.21839180196E-02 6.98383458796E-03
|
|
2.6910000E+02 1.55521180606E-01 -5.03984194786E-02 1.59279292328E-02
|
|
1.2650000E+02 2.70568586643E-01 -9.96883431171E-02 3.20295306280E-02
|
|
6.1030000E+01 3.32719809142E-01 -1.58226246303E-01 5.19955501633E-02
|
|
2.9860000E+01 2.21631588689E-01 -1.48450612427E-01 5.14314736355E-02
|
|
1.4170000E+01 4.91583993597E-02 6.37157369498E-02 -2.48938840866E-02
|
|
7.0220000E+00 6.51827777838E-05 4.32358024615E-01 -1.88241930682E-01
|
|
3.5110000E+00 1.65440122199E-03 4.95165924371E-01 -3.49490817712E-01
|
|
1.7580000E+00 -5.69271450949E-04 1.56467481079E-01 -1.21402715189E-01
|
|
7.8410000E-01 1.92131856522E-04 8.51109844155E-03 4.57989093832E-01
|
|
3.4800000E-01 -1.09017405391E-04 1.09353724384E-03 6.06778829030E-01
|
|
1.4910000E-01 2.01320533886E-05 2.21363006700E-04 1.84370998804E-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 2.92641999224E-04 -8.18897835466E-05
|
|
6.9350000E+02 2.16407958692E-03 -6.04997216346E-04
|
|
2.2470000E+02 1.13899542214E-02 -3.21165438403E-03
|
|
8.5170000E+01 4.44759483973E-02 -1.26553471882E-02
|
|
3.5530000E+01 1.31195416798E-01 -3.84744846361E-02
|
|
1.5730000E+01 2.76149251873E-01 -8.31589549598E-02
|
|
7.1650000E+00 3.87134190622E-01 -1.24354549871E-01
|
|
3.3220000E+00 2.86344090594E-01 -8.24855715562E-02
|
|
1.4780000E+00 6.54678299513E-02 1.64620988133E-01
|
|
6.5520000E-01 1.57616158429E-04 4.31141487050E-01
|
|
2.7510000E-01 1.13428359764E-03 4.28574025453E-01
|
|
1.0970000E-01 -2.51505074737E-04 1.54084181472E-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_fi_sf_lc" SPHERICAL
|
|
Ga s
|
|
1.0861522E+08 3.03995551952E-06 -9.63615522575E-07 3.68845492410E-07 -8.65216802803E-08
|
|
1.6264540E+07 1.46565310841E-05 -4.65113132141E-06 1.78048888090E-06 -4.17674689462E-07
|
|
3.7001116E+06 4.12764832336E-05 -1.31235073976E-05 5.02533887893E-06 -1.17885562865E-06
|
|
1.0471691E+06 1.14777103952E-04 -3.65626936072E-05 1.40023887831E-05 -3.28502913963E-06
|
|
3.4106757E+05 3.05299809699E-04 -9.74944117560E-05 3.73559315076E-05 -8.76336919852E-06
|
|
1.2277154E+05 8.09816107213E-04 -2.59139146316E-04 9.92894775167E-05 -2.32965201507E-05
|
|
4.7659578E+04 2.10847831079E-03 -6.76823266270E-04 2.59522359097E-04 -6.08838782156E-05
|
|
1.9633354E+04 5.38361642322E-03 -1.73460521326E-03 6.65116898164E-04 -1.56083740005E-04
|
|
8.4887347E+03 1.33156074381E-02 -4.32590344517E-03 1.66140099153E-03 -3.89820405012E-04
|
|
3.8231381E+03 3.15142272115E-02 -1.03899662012E-02 3.99498216328E-03 -9.37923671118E-04
|
|
1.7844755E+03 6.97563610805E-02 -2.37380849521E-02 9.17158938080E-03 -2.15348030132E-03
|
|
8.6005305E+02 1.39287151075E-01 -5.02965976782E-02 1.95610047292E-02 -4.59997047800E-03
|
|
4.2669867E+02 2.35730899542E-01 -9.56277811800E-02 3.78078940116E-02 -8.90284290709E-03
|
|
2.1726161E+02 3.03152017792E-01 -1.51049093206E-01 6.13218995990E-02 -1.45084028344E-02
|
|
1.1296987E+02 2.44895111410E-01 -1.65776442072E-01 7.07632865582E-02 -1.68197364175E-02
|
|
5.9449441E+01 9.16020928972E-02 -2.79867191229E-02 1.16980302882E-02 -2.83946031249E-03
|
|
3.0782256E+01 9.20929267856E-03 3.13238153648E-01 -1.73214763703E-01 4.28257711076E-02
|
|
1.6423212E+01 5.66000404665E-04 5.22139040734E-01 -4.04996960498E-01 1.04693931272E-01
|
|
8.7578890E+00 -5.92966497601E-05 2.84936820497E-01 -2.72342269652E-01 7.22514682069E-02
|
|
4.4096290E+00 1.32003835728E-05 4.10778586208E-02 2.96451879905E-01 -9.39013827495E-02
|
|
2.2494490E+00 -6.20941195849E-05 1.31895255005E-03 6.35306555029E-01 -2.28705302318E-01
|
|
1.1261150E+00 1.64938479138E-05 1.06916584539E-03 3.50225987517E-01 -2.47681230505E-01
|
|
5.1548600E-01 -1.12173729716E-05 -1.38643196385E-04 3.49891617223E-02 -1.28727581141E-02
|
|
2.4257800E-01 5.66789721360E-06 8.48373448874E-05 -1.04057749014E-03 4.45063781865E-01
|
|
1.0708600E-01 -2.21114914381E-06 -3.42494505992E-05 3.59085832634E-04 5.67671189606E-01
|
|
4.6988000E-02 5.90304804539E-07 7.82139713473E-06 -3.43174375922E-05 1.67222568385E-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 1.01422126526E-04 -3.85952885936E-05 6.28267234555E-06
|
|
7.6093842E+03 4.03604345819E-04 -1.53763158558E-04 2.51824189333E-05
|
|
2.4714744E+03 1.86835704559E-03 -7.14455085593E-04 1.16018617336E-04
|
|
9.4606363E+02 7.39448330066E-03 -2.83935979778E-03 4.65968154854E-04
|
|
4.0194711E+02 2.54681201894E-02 -9.90332345651E-03 1.60960337011E-03
|
|
1.8364688E+02 7.34887440179E-02 -2.91884129032E-02 4.81083308965E-03
|
|
8.8533264E+01 1.70464606886E-01 -7.03387326829E-02 1.14810951158E-02
|
|
4.4270355E+01 2.96947433557E-01 -1.28139490811E-01 2.14003725777E-02
|
|
2.2723083E+01 3.46312418549E-01 -1.57084381827E-01 2.55975948706E-02
|
|
1.1823141E+01 2.13663600473E-01 -3.74735195328E-02 5.72387480828E-03
|
|
6.0421350E+00 5.06882040730E-02 2.49053258803E-01 -5.10711571879E-02
|
|
3.0317540E+00 3.30954444298E-03 4.46468635611E-01 -8.42055649475E-02
|
|
1.4933660E+00 9.70242604215E-04 3.48193463124E-01 -8.93263669448E-02
|
|
7.0972700E-01 3.49167556645E-05 1.01941388564E-01 2.20362211778E-02
|
|
2.4859300E-01 4.57499250846E-05 5.16950778126E-03 3.12896268277E-01
|
|
9.4395000E-02 -1.94158774188E-05 -1.23571194872E-04 5.32837030650E-01
|
|
3.5887000E-02 5.42826020271E-06 1.26342468682E-04 2.85341304560E-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 1.02369999059E-04
|
|
3.1459714E+02 9.03619490941E-04
|
|
1.2278760E+02 5.10232326706E-03
|
|
5.4760369E+01 2.00101391679E-02
|
|
2.6298944E+01 5.80885993154E-02
|
|
1.3263445E+01 1.30926599653E-01
|
|
6.8850650E+00 2.20608085581E-01
|
|
3.5795250E+00 2.81361782780E-01
|
|
1.8315640E+00 2.83093353938E-01
|
|
9.1290900E-01 2.16954963385E-01
|
|
4.3534000E-01 1.08045843680E-01
|
|
1.8851800E-01 2.17353196476E-02
|
|
7.5800000E-02 3.02222491555E-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_fi_sf_lc" SPHERICAL
|
|
Ge s
|
|
1.2200119E+08 2.89945839796E-06 -9.23592458311E-07 3.57217519609E-07 -9.23110482052E-08
|
|
1.8257470E+07 1.49702162079E-05 -4.77385424494E-06 1.84655470108E-06 -4.77181677513E-07
|
|
4.1508215E+06 4.16399831737E-05 -1.33043368257E-05 5.14779563873E-06 -1.33036014753E-06
|
|
1.1741018E+06 1.14733478212E-04 -3.67304106466E-05 1.42138364199E-05 -3.67328424969E-06
|
|
3.8230915E+05 3.00849046281E-04 -9.65654970603E-05 3.73873285174E-05 -9.66311118617E-06
|
|
1.3760796E+05 7.89044995006E-04 -2.53806653144E-04 9.82681668478E-05 -2.53967692626E-05
|
|
5.3419242E+04 2.03412342953E-03 -6.56456613855E-04 2.54355087739E-04 -6.57489026228E-05
|
|
2.2005756E+04 5.15775632320E-03 -1.67057305119E-03 6.47309290637E-04 -1.67306711318E-04
|
|
9.5138479E+03 1.26971873757E-02 -4.14617053351E-03 1.60905338001E-03 -4.16030238070E-04
|
|
4.2841756E+03 2.99899615642E-02 -9.93063271216E-03 3.85828352494E-03 -9.97574313804E-04
|
|
1.9991664E+03 6.64474764749E-02 -2.26834026738E-02 8.85411238366E-03 -2.29119204844E-03
|
|
9.6324716E+02 1.33366919836E-01 -4.81708905667E-02 1.89226074415E-02 -4.89975600635E-03
|
|
4.7780500E+02 2.28322991173E-01 -9.21923578261E-02 3.67930113090E-02 -9.55092484270E-03
|
|
2.4331589E+02 3.00379520731E-01 -1.47610617299E-01 6.04354457332E-02 -1.57373867099E-02
|
|
1.2663999E+02 2.53148305456E-01 -1.68278423022E-01 7.23422409791E-02 -1.89803853459E-02
|
|
6.6783579E+01 1.02479464053E-01 -4.44902911819E-02 1.94399200872E-02 -5.10643907664E-03
|
|
3.4416084E+01 1.18379672327E-02 2.89572896896E-01 -1.60296014643E-01 4.35301817918E-02
|
|
1.8372814E+01 3.79026378940E-04 5.23293500169E-01 -4.01411404447E-01 1.14747984226E-01
|
|
9.8054610E+00 6.69536206857E-05 3.06663302801E-01 -2.99701430513E-01 8.77016329589E-02
|
|
4.9694030E+00 -4.46533344787E-05 4.85166120197E-02 2.61717666460E-01 -9.09867144962E-02
|
|
2.5486230E+00 -3.22109286614E-05 1.47670552851E-03 6.43317151937E-01 -2.58978787520E-01
|
|
1.2845940E+00 -3.22643467380E-08 1.18974361509E-03 3.74743977332E-01 -2.89801429752E-01
|
|
5.8335300E-01 -3.32253289120E-06 -1.95313656197E-04 3.86803404888E-02 -1.22300277137E-04
|
|
2.9343900E-01 2.03022764214E-06 1.09692821904E-04 -1.90589345310E-03 4.88012235840E-01
|
|
1.3267200E-01 -6.18372853137E-07 -4.63704533628E-05 6.66713151270E-04 5.55075792282E-01
|
|
5.9239000E-02 1.99389210645E-07 9.30524071948E-06 -5.72112682788E-05 1.50153936123E-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 1.14258593198E-04 -4.41436043675E-05 8.62632974469E-06
|
|
7.6482002E+03 4.53333507097E-04 -1.75390001866E-04 3.43557446328E-05
|
|
2.4842114E+03 2.09053367334E-03 -8.11853247838E-04 1.58561824428E-04
|
|
9.5100305E+02 8.23329285501E-03 -3.21255661852E-03 6.30170303324E-04
|
|
4.0404833E+02 2.81785901714E-02 -1.11417697254E-02 2.17964261880E-03
|
|
1.8460354E+02 8.04771231639E-02 -3.25601030575E-02 6.41462484606E-03
|
|
8.8964128E+01 1.83363568298E-01 -7.71753630866E-02 1.51905231626E-02
|
|
4.4447742E+01 3.10269406533E-01 -1.36947210743E-01 2.73045631725E-02
|
|
2.2799075E+01 3.42323279272E-01 -1.56858416368E-01 3.10270262074E-02
|
|
1.1835928E+01 1.92308266920E-01 -9.17344643786E-03 -3.90063055310E-04
|
|
6.0112940E+00 3.97087567743E-02 2.91793294183E-01 -7.04179340547E-02
|
|
2.9957840E+00 2.32108657344E-03 4.62037946893E-01 -1.11137160503E-01
|
|
1.4695700E+00 7.91492454039E-04 3.11313318141E-01 -9.66651281542E-02
|
|
6.9068100E-01 -2.26559886963E-05 6.63686350468E-02 6.38785530500E-02
|
|
2.8616000E-01 4.28796601489E-05 1.97871655364E-03 3.66903007589E-01
|
|
1.1774200E-01 -2.08077581919E-05 7.16525693307E-04 4.95588568942E-01
|
|
4.7385000E-02 4.64253202230E-06 -3.02509206102E-05 2.38995390364E-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 8.94248056121E-05
|
|
3.7123223E+02 7.84738237008E-04
|
|
1.4489099E+02 4.47858635371E-03
|
|
6.4604130E+01 1.80157813719E-02
|
|
3.1039737E+01 5.37747107967E-02
|
|
1.5643870E+01 1.25062966640E-01
|
|
8.1258220E+00 2.17939566009E-01
|
|
4.2397620E+00 2.84888101546E-01
|
|
2.1863860E+00 2.89487118533E-01
|
|
1.1038710E+00 2.17198732625E-01
|
|
5.3381100E-01 1.00261746433E-01
|
|
2.3135500E-01 1.74629035713E-02
|
|
9.5300000E-02 2.41425973197E-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_fi_sf_lc" SPHERICAL
|
|
As s
|
|
1.3750753E+08 2.77013455105E-06 -8.86582796754E-07 3.46500905982E-07 -9.62053130330E-08
|
|
2.0515052E+07 1.52623944166E-05 -4.88997756947E-06 1.91132357225E-06 -5.30664047354E-07
|
|
4.6487164E+06 4.21190342420E-05 -1.35213730070E-05 5.28666164484E-06 -1.46794162607E-06
|
|
1.3112646E+06 1.15173662261E-04 -3.70483930605E-05 1.44876918951E-05 -4.02253011864E-06
|
|
4.2618586E+05 2.98268949693E-04 -9.62106271558E-05 3.76414827025E-05 -1.04533249757E-05
|
|
1.5323706E+05 7.74051065448E-04 -2.50240491669E-04 9.79111565895E-05 -2.71857653769E-05
|
|
5.9459404E+04 1.97598828939E-03 -6.41009115363E-04 2.50987074667E-04 -6.97136663116E-05
|
|
2.4492812E+04 4.97365522132E-03 -1.61924036707E-03 6.34068797932E-04 -1.76061073339E-04
|
|
1.0590253E+04 1.21795148278E-02 -3.99718828731E-03 1.56755641118E-03 -4.35533912878E-04
|
|
4.7697841E+03 2.86811444672E-02 -9.53913654444E-03 3.74525763069E-03 -1.04024378018E-03
|
|
2.2263698E+03 6.35222352553E-02 -2.17565771948E-02 8.58012987243E-03 -2.38608690565E-03
|
|
1.0730862E+03 1.27943715778E-01 -4.62452926908E-02 1.83513771899E-02 -5.10420047455E-03
|
|
5.3250059E+02 2.21180785250E-01 -8.89658902236E-02 3.58443266706E-02 -1.00008122004E-02
|
|
2.7129755E+02 2.97055675097E-01 -1.44192273739E-01 5.95543780697E-02 -1.66541065284E-02
|
|
1.4131195E+02 2.60382539482E-01 -1.70010125330E-01 7.36196631650E-02 -2.07735623091E-02
|
|
7.4584433E+01 1.13181249327E-01 -5.91295562246E-02 2.64201397561E-02 -7.43487645367E-03
|
|
3.8298338E+01 1.46728585886E-02 2.66577687456E-01 -1.47969018316E-01 4.30985727573E-02
|
|
2.0469130E+01 2.04470269529E-04 5.21939956713E-01 -3.96610818686E-01 1.22094551503E-01
|
|
1.0939578E+01 1.97404634643E-04 3.27313271604E-01 -3.25145337567E-01 1.02577267251E-01
|
|
5.5903670E+00 -1.06655764963E-04 5.68069459595E-02 2.25508472969E-01 -8.41238439880E-02
|
|
2.8828590E+00 4.82090537552E-07 1.81654162557E-03 6.47958612853E-01 -2.82812101297E-01
|
|
1.4660860E+00 -1.87191158305E-05 1.28489859708E-03 3.99744925411E-01 -3.27788718956E-01
|
|
6.7483900E-01 6.66291976335E-06 -2.32271716346E-04 4.45525263800E-02 1.08997171952E-02
|
|
3.4639900E-01 -3.17737315003E-06 1.17117936172E-04 -2.11605959519E-03 5.17710795568E-01
|
|
1.5928900E-01 1.46767456189E-06 -5.42451194621E-05 8.95239520558E-04 5.45262313040E-01
|
|
7.2109000E-02 -2.80847170076E-07 9.62594514062E-06 -6.06311203416E-05 1.40093162931E-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 1.21418206397E-04 -4.76135447547E-05 1.05084489767E-05
|
|
8.0865608E+03 4.71897608850E-04 -1.85354533694E-04 4.09184486688E-05
|
|
2.6265114E+03 2.15521782030E-03 -8.49661323647E-04 1.87631297295E-04
|
|
1.0053950E+03 8.43630101595E-03 -3.34282142654E-03 7.38711109552E-04
|
|
4.2712735E+02 2.87907553114E-02 -1.15610270848E-02 2.55844749734E-03
|
|
1.9515113E+02 8.20077001029E-02 -3.37191541649E-02 7.48361820239E-03
|
|
9.4054308E+01 1.86211097172E-01 -7.96757532581E-02 1.77635844738E-02
|
|
4.6999880E+01 3.13219492706E-01 -1.40743410574E-01 3.15853447949E-02
|
|
2.4117457E+01 3.41047734697E-01 -1.58155989855E-01 3.56323426432E-02
|
|
1.2519982E+01 1.87364538390E-01 -1.25890085024E-03 -3.34332553061E-03
|
|
6.3573250E+00 3.74813488101E-02 3.06010464127E-01 -8.29249856512E-02
|
|
3.1680520E+00 2.14442684425E-03 4.70239470786E-01 -1.33862092241E-01
|
|
1.5534810E+00 7.13926044914E-04 2.97112967313E-01 -1.00197383564E-01
|
|
7.1032500E-01 -4.82072879602E-05 5.25489418428E-02 1.08476224317E-01
|
|
3.2095500E-01 4.31746250354E-05 1.15946685988E-04 3.97577008862E-01
|
|
1.3935700E-01 -2.40506079018E-05 1.21633538271E-03 4.59891587766E-01
|
|
5.8410000E-02 4.25627929577E-06 -8.09177728884E-05 2.06841263988E-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 7.99093460574E-05
|
|
4.3106676E+02 6.97133937568E-04
|
|
1.6812864E+02 4.01594257340E-03
|
|
7.4866724E+01 1.65210171271E-02
|
|
3.5945855E+01 5.05473431896E-02
|
|
1.8098474E+01 1.20543331896E-01
|
|
9.4057800E+00 2.15649723982E-01
|
|
4.9239040E+00 2.87550340737E-01
|
|
2.5564930E+00 2.94556602303E-01
|
|
1.3042330E+00 2.16897855673E-01
|
|
6.3711800E-01 9.42134730462E-02
|
|
2.7579500E-01 1.47756188770E-02
|
|
1.1530000E-01 2.19996482122E-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_fi_sf_lc" SPHERICAL
|
|
Se s
|
|
1.5443225E+08 2.56898180919E-06 -8.25988737264E-07 3.26143685458E-07 -9.57905262323E-08
|
|
2.3129212E+07 1.53883006036E-05 -4.95284775646E-06 1.95583775633E-06 -5.74428521065E-07
|
|
5.2617929E+06 4.19105239163E-05 -1.35161462548E-05 5.33902801700E-06 -1.56822747699E-06
|
|
1.4888167E+06 1.13357862866E-04 -3.66325752530E-05 1.44728778970E-05 -4.25083123689E-06
|
|
4.8465656E+05 2.89224155359E-04 -9.37337445135E-05 3.70505437241E-05 -1.08844226849E-05
|
|
1.7427063E+05 7.42522840446E-04 -2.41209011229E-04 9.53553067950E-05 -2.80075679546E-05
|
|
6.7529090E+04 1.88012027227E-03 -6.12925928373E-04 2.42471040477E-04 -7.12450330225E-05
|
|
2.7750837E+04 4.71145861502E-03 -1.54142702837E-03 6.09871358550E-04 -1.79138017080E-04
|
|
1.1964216E+04 1.15184125176E-02 -3.79798516548E-03 1.50477859330E-03 -4.42285776860E-04
|
|
5.3707148E+03 2.71719277640E-02 -9.07381937443E-03 3.59933723008E-03 -1.05754109169E-03
|
|
2.4973194E+03 6.04972061658E-02 -2.07779156869E-02 8.27679767736E-03 -2.43492802365E-03
|
|
1.1987679E+03 1.22927472940E-01 -4.44498257258E-02 1.78147019414E-02 -5.24150045892E-03
|
|
5.9258026E+02 2.15253642082E-01 -8.62560822573E-02 3.50776538460E-02 -1.03533002729E-02
|
|
3.0097708E+02 2.94828707221E-01 -1.41616547143E-01 5.90060724334E-02 -1.74551661122E-02
|
|
1.5646024E+02 2.66960335477E-01 -1.71556771058E-01 7.48530453154E-02 -2.23464009227E-02
|
|
8.2476086E+01 1.22562620076E-01 -7.08479816979E-02 3.21290176769E-02 -9.58224661383E-03
|
|
4.2270887E+01 1.73135276760E-02 2.46973463917E-01 -1.37775295113E-01 4.24523099452E-02
|
|
2.2630220E+01 8.63287853698E-05 5.18561074602E-01 -3.91801246613E-01 1.27745987239E-01
|
|
1.2122374E+01 3.05153712520E-04 3.44650960946E-01 -3.46116589526E-01 1.16072566227E-01
|
|
6.2491700E+00 -1.59437838758E-04 6.51624169222E-02 1.91619790310E-01 -7.58571785599E-02
|
|
3.2426780E+00 2.86844971750E-05 2.26132062518E-03 6.49002650389E-01 -3.01157398525E-01
|
|
1.6663620E+00 -3.56975585781E-05 1.37361358621E-03 4.22762298612E-01 -3.62600526629E-01
|
|
7.8726400E-01 1.57714559270E-05 -2.63215690499E-04 5.17504813545E-02 1.83000535431E-02
|
|
4.0297200E-01 -7.56769040735E-06 1.13620290389E-04 -1.58591119284E-03 5.39558304421E-01
|
|
1.8709600E-01 3.25597489661E-06 -5.96622675197E-05 1.00226977084E-03 5.42561694041E-01
|
|
8.4706000E-02 -6.67950829817E-07 9.21739548413E-06 -3.78396415704E-05 1.30636840398E-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 1.27200377321E-04 -5.06030904379E-05 1.22081421546E-05
|
|
8.6405510E+03 4.82696526649E-04 -1.92385981413E-04 4.63790935604E-05
|
|
2.8056911E+03 2.18107339016E-03 -8.72398953708E-04 2.10714718669E-04
|
|
1.0734961E+03 8.48827494987E-03 -3.41354500853E-03 8.23612543425E-04
|
|
4.5577475E+02 2.89368006665E-02 -1.17915399802E-02 2.85499648620E-03
|
|
2.0809432E+02 8.24393758263E-02 -3.44154220392E-02 8.34044123268E-03
|
|
1.0023111E+02 1.87258984295E-01 -8.13598570501E-02 1.98629808814E-02
|
|
5.0073522E+01 3.14569577752E-01 -1.43705283346E-01 3.52118709465E-02
|
|
2.5700262E+01 3.40586323658E-01 -1.59893111095E-01 3.95690952910E-02
|
|
1.3346792E+01 1.85286922005E-01 2.72204902840E-03 -5.43778457662E-03
|
|
6.7870510E+00 3.66174445215E-02 3.14752092641E-01 -9.34048750562E-02
|
|
3.3916540E+00 2.07627403450E-03 4.75778743270E-01 -1.53369730824E-01
|
|
1.6703270E+00 6.52909189725E-04 2.86321702582E-01 -1.01010679805E-01
|
|
7.5259900E-01 -5.72602746095E-05 4.50024995033E-02 1.57897875644E-01
|
|
3.4681300E-01 3.65554249857E-05 -4.78673673580E-04 4.32183311793E-01
|
|
1.5185500E-01 -2.45403702906E-05 1.36918987080E-03 4.35311907526E-01
|
|
6.3856000E-02 3.42613224829E-06 -8.28035379845E-05 1.54276154472E-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 7.25560683158E-05
|
|
4.9467266E+02 6.28641922380E-04
|
|
1.9284388E+02 3.64477392914E-03
|
|
8.5782195E+01 1.52737753682E-02
|
|
4.1149966E+01 4.78309207400E-02
|
|
2.0678170E+01 1.16945209774E-01
|
|
1.0726386E+01 2.14752601367E-01
|
|
5.6124540E+00 2.91657777713E-01
|
|
2.9203760E+00 2.99813765087E-01
|
|
1.4981840E+00 2.14969997902E-01
|
|
7.3599900E-01 8.74567621117E-02
|
|
3.1600400E-01 1.23422157923E-02
|
|
1.3310000E-01 1.60673003923E-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_fi_sf_lc" SPHERICAL
|
|
Br s
|
|
1.6573515E+08 2.60456091261E-06 -8.41192690337E-07 3.35457682369E-07 -1.03122083602E-07
|
|
2.4774379E+07 1.62190896905E-05 -5.24372987384E-06 2.09136082744E-06 -6.42883501982E-07
|
|
5.6282020E+06 4.39184134483E-05 -1.42279749018E-05 5.67625963876E-06 -1.74506163643E-06
|
|
1.5918997E+06 1.17890932783E-04 -3.82731372246E-05 1.52722554821E-05 -4.69487724787E-06
|
|
5.1826380E+05 2.97641032076E-04 -9.69177009475E-05 3.86919813762E-05 -1.18969929018E-05
|
|
1.8649092E+05 7.56527928803E-04 -2.46957285525E-04 9.86089812190E-05 -3.03145955460E-05
|
|
7.2332493E+04 1.89789303144E-03 -6.21826820364E-04 2.48459070355E-04 -7.64119300496E-05
|
|
2.9761135E+04 4.71728202627E-03 -1.55125174028E-03 6.19959334196E-04 -1.90598424682E-04
|
|
1.2851712E+04 1.14486154191E-02 -3.79447086218E-03 1.51849385590E-03 -4.67157379617E-04
|
|
5.7809430E+03 2.68328667063E-02 -9.00562690815E-03 3.60845889920E-03 -1.10969771048E-03
|
|
2.6950098E+03 5.94067054549E-02 -2.04969539900E-02 8.24662164155E-03 -2.53941340992E-03
|
|
1.2976604E+03 1.20259517447E-01 -4.36326521027E-02 1.76625334562E-02 -5.43931312660E-03
|
|
6.4363493E+02 2.10675089339E-01 -8.44894151700E-02 3.46913372621E-02 -1.07183955526E-02
|
|
3.2795194E+02 2.91146999988E-01 -1.39223615271E-01 5.85491150370E-02 -1.81290852691E-02
|
|
1.7092262E+02 2.69817938585E-01 -1.71592449234E-01 7.54861078047E-02 -2.35933797014E-02
|
|
9.0250141E+01 1.29520982314E-01 -7.91112861420E-02 3.63016106771E-02 -1.13430338845E-02
|
|
4.6292467E+01 1.96894523955E-02 2.30372464894E-01 -1.29408002063E-01 4.17430730994E-02
|
|
2.4848661E+01 -8.70639001104E-06 5.13935032608E-01 -3.87179055474E-01 1.32300352248E-01
|
|
1.3347137E+01 4.07640009140E-04 3.58959649292E-01 -3.63552848695E-01 1.28124539831E-01
|
|
6.9482580E+00 -2.12815922072E-04 7.32105876063E-02 1.60685358230E-01 -6.67490769753E-02
|
|
3.6250750E+00 5.79514263537E-05 2.98500139973E-03 6.47876365739E-01 -3.16122074817E-01
|
|
1.8821530E+00 -5.39248364354E-05 1.36468442283E-03 4.43599979424E-01 -3.93787668880E-01
|
|
9.1082200E-01 2.54572554880E-05 -2.47631313454E-04 5.95783283667E-02 2.14412962112E-02
|
|
4.6395700E-01 -1.18466951772E-05 8.32841446259E-05 -8.72404951051E-04 5.56597099981E-01
|
|
2.1693300E-01 5.02706855246E-06 -5.62979165563E-05 1.10330792322E-03 5.41422821837E-01
|
|
9.8406000E-02 -1.03921488152E-06 6.66048452258E-06 -1.28885499261E-05 1.25361904734E-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 1.31593104859E-04 -5.30745347038E-05 1.37160240012E-05
|
|
9.3252225E+03 4.85538384896E-04 -1.96226397992E-04 5.06604400618E-05
|
|
3.0289943E+03 2.16477427275E-03 -8.77945751952E-04 2.27201854606E-04
|
|
1.1595145E+03 8.35275680253E-03 -3.40628670045E-03 8.80127875019E-04
|
|
4.9268131E+02 2.83853334325E-02 -1.17272702336E-02 3.04276884988E-03
|
|
2.2517451E+02 8.08361635841E-02 -3.42128304634E-02 8.88030055906E-03
|
|
1.0859326E+02 1.84207019430E-01 -8.11263192926E-02 2.12342310443E-02
|
|
5.4336079E+01 3.11546310222E-01 -1.44311737738E-01 3.78841222882E-02
|
|
2.7936650E+01 3.41495013597E-01 -1.62779403442E-01 4.32626589180E-02
|
|
1.4539626E+01 1.89894848195E-01 -3.08846085853E-03 -4.51390507953E-03
|
|
7.4213070E+00 3.89107384350E-02 3.11193948816E-01 -9.96484114884E-02
|
|
3.7303890E+00 2.19093370484E-03 4.79421426965E-01 -1.68938336137E-01
|
|
1.8541270E+00 6.65078190819E-04 2.87312995711E-01 -1.06624168846E-01
|
|
8.4533700E-01 -7.64586766916E-05 4.49367301717E-02 1.82930704781E-01
|
|
3.9215200E-01 3.82702800649E-05 -1.74550695939E-04 4.48685096490E-01
|
|
1.7276700E-01 -2.89762242130E-05 1.42495285643E-03 4.18813822552E-01
|
|
7.2908000E-02 3.40349285139E-06 -4.19152751802E-05 1.34455670878E-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 6.75700581477E-05
|
|
5.5707125E+02 5.86858424572E-04
|
|
2.1648687E+02 3.42903474656E-03
|
|
9.6138850E+01 1.45464543194E-02
|
|
4.6126380E+01 4.61602832410E-02
|
|
2.3201164E+01 1.14367878976E-01
|
|
1.2055926E+01 2.13407456427E-01
|
|
6.3255450E+00 2.94007516732E-01
|
|
3.3049220E+00 3.03761707526E-01
|
|
1.7042530E+00 2.13448502240E-01
|
|
8.3994000E-01 8.22191570990E-02
|
|
3.5695300E-01 1.06025822967E-02
|
|
1.5200000E-01 1.18524147697E-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_fi_sf_lc" SPHERICAL
|
|
Kr s
|
|
1.8282209E+08 2.42857425068E-06 -7.87790927416E-07 3.17165613464E-07 -1.01268291526E-07
|
|
2.7356156E+07 1.65496259674E-05 -5.37392102330E-06 2.16378921195E-06 -6.90849782721E-07
|
|
6.2211704E+06 4.45887878044E-05 -1.45083817250E-05 5.84346175123E-06 -1.86592596879E-06
|
|
1.7602779E+06 1.18773094281E-04 -3.87299039773E-05 1.56026785601E-05 -4.98175040270E-06
|
|
5.7319382E+05 2.96334184794E-04 -9.69282417613E-05 3.90666497860E-05 -1.24769573533E-05
|
|
2.0625845E+05 7.45222499573E-04 -2.44398512085E-04 9.85276584026E-05 -3.14592359487E-05
|
|
8.0026669E+04 1.84978431970E-03 -6.08958830110E-04 2.45652937043E-04 -7.84750876615E-05
|
|
3.2939084E+04 4.56243962845E-03 -1.50756926803E-03 6.08335502837E-04 -1.94241782192E-04
|
|
1.4222633E+04 1.10190486005E-02 -3.66927916600E-03 1.48246637222E-03 -4.73758795372E-04
|
|
6.3930707E+03 2.57806454650E-02 -8.68949373704E-03 3.51540292490E-03 -1.12275760923E-03
|
|
2.9764538E+03 5.71565408000E-02 -1.97857920094E-02 8.03550097575E-03 -2.57046384762E-03
|
|
1.4305254E+03 1.16298363157E-01 -4.22570874641E-02 1.72665389258E-02 -5.52204422652E-03
|
|
7.0792621E+02 2.05716680354E-01 -8.23440916950E-02 3.41093042224E-02 -1.09485472234E-02
|
|
3.5984847E+02 2.88820835060E-01 -1.37115319027E-01 5.81551017859E-02 -1.86979497521E-02
|
|
1.8714965E+02 2.74582155449E-01 -1.72454702727E-01 7.64259959288E-02 -2.48256905002E-02
|
|
9.8634523E+01 1.37248618814E-01 -8.75718314225E-02 4.06222505782E-02 -1.31707935197E-02
|
|
5.0547869E+01 2.21852754217E-02 2.15074557713E-01 -1.21710805393E-01 4.07281304345E-02
|
|
2.7167004E+01 -7.26131416479E-05 5.09589007410E-01 -3.83220655592E-01 1.36294285779E-01
|
|
1.4615098E+01 4.96748083602E-04 3.71909610145E-01 -3.79205904333E-01 1.39044857010E-01
|
|
7.6513520E+00 -2.58926448813E-04 8.07253414909E-02 1.36926293226E-01 -5.86566558904E-02
|
|
3.9972630E+00 8.24754978317E-05 3.54991076020E-03 6.52029279730E-01 -3.34498418672E-01
|
|
2.0858530E+00 -6.90207350814E-05 1.37676070322E-03 4.56892263229E-01 -4.20216884484E-01
|
|
1.0147970E+00 3.39982538178E-05 -2.70163264194E-04 6.29981591131E-02 3.76053313423E-02
|
|
5.1978800E-01 -1.58140928196E-05 7.48211595148E-05 -6.47259941204E-04 5.74863692035E-01
|
|
2.4510300E-01 6.69150354791E-06 -6.11537768724E-05 1.27384941413E-03 5.31893199787E-01
|
|
1.1189600E-01 -1.38409345381E-06 6.25887734800E-06 -7.58571014566E-06 1.17341557775E-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 1.34271424259E-04 -5.48858970240E-05 1.48990318627E-05
|
|
1.0173723E+04 4.80625714230E-04 -1.96893143742E-04 5.33900286654E-05
|
|
3.3031057E+03 2.11340696232E-03 -8.68744840132E-04 2.36185186229E-04
|
|
1.2635400E+03 8.10004407899E-03 -3.34834643146E-03 9.08681992448E-04
|
|
5.3636546E+02 2.75418355517E-02 -1.15307752340E-02 3.14340530528E-03
|
|
2.4487617E+02 7.87514861117E-02 -3.37711382683E-02 9.20803475405E-03
|
|
1.1799117E+02 1.80764590261E-01 -8.06431360276E-02 2.21863627961E-02
|
|
5.9021248E+01 3.08653834234E-01 -1.44879962920E-01 3.99727144664E-02
|
|
3.0356067E+01 3.42987746596E-01 -1.65965543289E-01 4.64269081074E-02
|
|
1.5819977E+01 1.94917173924E-01 -9.45528059108E-03 -3.12502468414E-03
|
|
8.1045800E+00 4.13830769823E-02 3.06973050037E-01 -1.04188505266E-01
|
|
4.0979640E+00 2.33925735325E-03 4.82698761523E-01 -1.81952337363E-01
|
|
2.0560610E+00 6.73075529052E-04 2.89266066097E-01 -1.11476600708E-01
|
|
9.5214500E-01 -8.74797321298E-05 4.55638360403E-02 2.00181931825E-01
|
|
4.4477400E-01 4.97219303355E-05 -4.07221428150E-04 4.57567518140E-01
|
|
1.9749600E-01 -2.31986883269E-05 8.83148590021E-04 4.06664535022E-01
|
|
8.3823000E-02 6.16917858579E-06 -1.75673663605E-04 1.25202860094E-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 6.37618443345E-05
|
|
6.2569371E+02 5.42303533552E-04
|
|
2.4394679E+02 3.16076362953E-03
|
|
1.0842373E+02 1.35660163362E-02
|
|
5.2005216E+01 4.38937284493E-02
|
|
2.6115405E+01 1.11101165227E-01
|
|
1.3546748E+01 2.11943887217E-01
|
|
7.1058100E+00 2.96576798506E-01
|
|
3.7215540E+00 3.07571202456E-01
|
|
1.9291200E+00 2.12381100072E-01
|
|
9.5582600E-01 7.87205958153E-02
|
|
4.0519700E-01 9.65417091179E-03
|
|
1.7410000E-01 1.14228496635E-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
|