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981 lines
69 KiB
Text
981 lines
69 KiB
Text
# $Id$
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basis "Ga_dyall_relapvdz_fi_sf_lc" SPHERICAL
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Ga s
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2.5339378E+06 1.08023541913E-04 -3.43166430120E-05 1.31532731045E-05 -3.08693088580E-06
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3.0189559E+05 5.90842580594E-04 -1.89212059989E-04 7.23958407759E-05 -1.69764061866E-05
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|
5.8328565E+04 2.75682169969E-03 -8.80192840687E-04 3.38350824931E-04 -7.94770183647E-05
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1.4613208E+04 1.12729815730E-02 -3.66441489351E-03 1.40095497321E-03 -3.28291669781E-04
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4.3363195E+03 4.03236655252E-02 -1.31379891226E-02 5.07882358973E-03 -1.19467075522E-03
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1.4515728E+03 1.21361769756E-01 -4.23336181988E-02 1.62679677517E-02 -3.81166400328E-03
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5.3216174E+02 2.83317643083E-01 -1.07781847174E-01 4.27537549885E-02 -1.01031428207E-02
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2.0978123E+02 4.11385394560E-01 -2.15839695261E-01 8.65797675282E-02 -2.03588774027E-02
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8.6925370E+01 2.54772549898E-01 -1.54782534784E-01 7.08328416929E-02 -1.72140038428E-02
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2.7823619E+01 2.59281872753E-02 4.89703057111E-01 -3.00807099511E-01 7.58931649561E-02
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|
1.1739618E+01 -5.14885168476E-03 6.23374089525E-01 -5.18325524570E-01 1.34102240157E-01
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3.3959518E+00 1.66577364481E-03 6.71424354437E-02 5.90313050282E-01 -1.89563460561E-01
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|
1.3690033E+00 -7.51608346960E-04 -1.14513362879E-02 6.68977155753E-01 -3.56102010985E-01
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2.0161929E-01 1.83858674485E-04 2.58045908556E-03 2.75621538841E-02 6.25992462036E-01
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7.3544566E-02 -8.52169791573E-05 -1.17421705247E-03 -9.12392971523E-03 5.24266488116E-01
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Ga s
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7.3544566E-02 9.99998531381E-01
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Ga s
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2.3477550E-02 9.99999531172E-01
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Ga p
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5.1226521E+03 1.14861360170E-03 -4.38088100783E-04 7.23805631833E-05
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1.0412557E+03 9.49790350498E-03 -3.64783467888E-03 5.96560683011E-04
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3.1099341E+02 5.04235933858E-02 -1.97070553177E-02 3.27097564535E-03
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|
1.1152002E+02 1.78595572936E-01 -7.26682878661E-02 1.19249403771E-02
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4.4242428E+01 3.90201148226E-01 -1.68975210301E-01 2.85332872326E-02
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1.8549857E+01 4.23980804693E-01 -1.83823385732E-01 2.94621590404E-02
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7.6945833E+00 1.33532011490E-01 1.76081117351E-01 -3.29260537940E-02
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3.1465846E+00 1.80141305284E-03 5.88663250513E-01 -1.25783643261E-01
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1.1994069E+00 2.11825781764E-03 3.80683257624E-01 -6.62065538953E-02
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2.3982093E-01 -3.19153611697E-04 2.23010612671E-02 4.25163350057E-01
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6.5156257E-02 1.15659734793E-04 -4.18819337555E-03 6.98335861982E-01
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Ga p
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6.5156257E-02 9.99997831489E-01
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Ga p
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1.4296794E-02 9.99999524174E-01
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Ga d
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1.0527765E+02 1.14155327520E-02
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3.0546613E+01 7.30466903909E-02
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1.0887423E+01 2.34415421743E-01
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4.1460714E+00 4.02139368025E-01
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1.5253821E+00 4.11711511947E-01
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5.0539708E-01 1.98367750457E-01
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1.9138954E-01 1.38584283655E-02
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Ga d
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1.9138954E-01 9.99991082653E-01
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Ga d
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5.2395868E-02 9.99997558650E-01
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end
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basis "Ge_dyall_relapvdz_fi_sf_lc" SPHERICAL
|
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Ge s
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2.8175173E+06 1.09681227104E-04 -3.50173488415E-05 1.35608185209E-05 -3.50488395984E-06
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3.3473037E+05 5.89133396113E-04 -1.89612958234E-04 7.33223827350E-05 -1.89393654416E-05
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6.4402606E+04 2.71664314273E-03 -8.72152866829E-04 3.38683200988E-04 -8.75971236497E-05
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1.6069168E+04 1.10477677765E-02 -3.60992682639E-03 1.39519560427E-03 -3.60215696822E-04
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4.7513554E+03 3.94698580366E-02 -1.29286561522E-02 5.04771019018E-03 -1.30709767895E-03
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1.5856341E+03 1.19060935637E-01 -4.16917304990E-02 1.61999869459E-02 -4.18337962762E-03
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5.7974908E+02 2.79725625567E-01 -1.06688773977E-01 4.27133866276E-02 -1.11078342413E-02
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2.2793794E+02 4.11535451635E-01 -2.15240149069E-01 8.73576580817E-02 -2.26631110345E-02
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9.4165431E+01 2.60324547229E-01 -1.59475465008E-01 7.32637258740E-02 -1.95381800487E-02
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3.0123898E+01 2.73161799495E-02 4.82687914436E-01 -2.99227635872E-01 8.31244342577E-02
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1.2748988E+01 -5.56103008667E-03 6.27934988265E-01 -5.29133061106E-01 1.52139035894E-01
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3.7562490E+00 1.87431757334E-03 7.10668897612E-02 5.67603484292E-01 -2.04288303507E-01
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1.5461753E+00 -8.68799658197E-04 -1.23502848563E-02 6.90847773080E-01 -4.05707954823E-01
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2.5478689E-01 2.24827407364E-04 2.87915094664E-03 3.14208884211E-02 6.51973405681E-01
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9.4605272E-02 -1.01609303026E-04 -1.28024677646E-03 -9.64486774463E-03 5.19649522195E-01
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Ge s
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9.4605272E-02 9.99998110822E-01
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Ge s
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3.2435410E-02 9.99999352291E-01
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Ge p
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5.8318413E+03 1.08263767288E-03 -4.18974654538E-04 8.25692018924E-05
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1.1709342E+03 8.91638951446E-03 -3.47859803501E-03 6.76754459578E-04
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3.4765990E+02 4.77287342568E-02 -1.89104935678E-02 3.74688639296E-03
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1.2427841E+02 1.71402861218E-01 -7.07855518692E-02 1.38150670223E-02
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4.9266501E+01 3.82378656582E-01 -1.67573626795E-01 3.38464356339E-02
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2.0682780E+01 4.29165712564E-01 -1.91571069244E-01 3.64188887449E-02
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8.6697716E+00 1.44595822935E-01 1.56761984070E-01 -3.45929503106E-02
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3.5576107E+00 3.49740053573E-03 5.87611799442E-01 -1.54127232467E-01
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1.3783228E+00 2.02804279868E-03 3.93932732637E-01 -7.84629393097E-02
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2.9396632E-01 -3.27929173801E-04 2.41847275591E-02 4.89169955902E-01
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8.4171224E-02 1.17745550162E-04 -4.32562583519E-03 6.38459992728E-01
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Ge p
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8.4171224E-02 9.99997198648E-01
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Ge p
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2.1751938E-02 9.99999276053E-01
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Ge d
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1.2138547E+02 1.05230912806E-02
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3.5349248E+01 6.89225912602E-02
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1.2678712E+01 2.27205132423E-01
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4.8868358E+00 4.01870694112E-01
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1.8375790E+00 4.16592963791E-01
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6.3009513E-01 1.90983773490E-01
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2.4355143E-01 1.14802159997E-02
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Ge d
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2.4355143E-01 9.99988652444E-01
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Ge d
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7.4917623E-02 9.99996509285E-01
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end
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basis "As_dyall_relapvdz_fi_sf_lc" SPHERICAL
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As s
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3.1243334E+06 1.11504191514E-04 -3.57711235703E-05 1.39970503485E-05 -3.88608439292E-06
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3.7008937E+05 5.88574893251E-04 -1.90352473754E-04 7.43943170426E-05 -2.06465105869E-05
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7.0907383E+04 2.68221325263E-03 -8.65707564525E-04 3.39644812968E-04 -9.43505629119E-05
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|
1.7619521E+04 1.08454680245E-02 -3.56178480513E-03 1.39161474356E-03 -3.86111125748E-04
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5.1909618E+03 3.86907603795E-02 -1.27398767544E-02 5.02425686640E-03 -1.39708651504E-03
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|
1.7269528E+03 1.16942865993E-01 -4.11064783995E-02 1.61500150480E-02 -4.48310231474E-03
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6.2969403E+02 2.76377517220E-01 -1.05689434200E-01 4.27161474218E-02 -1.19251693191E-02
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2.4691683E+02 4.11582000853E-01 -2.14668075770E-01 8.81375851256E-02 -2.46021938795E-02
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|
1.0170796E+02 2.65478403894E-01 -1.63764095707E-01 7.56180456101E-02 -2.15964989128E-02
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|
3.2528466E+01 2.86706191093E-02 4.75880232321E-01 -2.97892757527E-01 8.88758700679E-02
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|
1.3807231E+01 -5.96676159459E-03 6.32221959528E-01 -5.39731874701E-01 1.68126547138E-01
|
|
4.1370645E+00 2.08586507649E-03 7.49032517820E-02 5.47305234810E-01 -2.15370544295E-01
|
|
1.7359875E+00 -9.89166824901E-04 -1.32098255214E-02 7.10500678628E-01 -4.48295869570E-01
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|
3.1149420E-01 2.65429321639E-04 3.12501166138E-03 3.50822979733E-02 6.68199761403E-01
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|
1.1697081E-01 -1.17031507318E-04 -1.36009125504E-03 -1.00220103731E-02 5.22502232905E-01
|
|
As s
|
|
1.1697081E-01 9.99997664209E-01
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As s
|
|
4.0876142E-02 9.99999183737E-01
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As p
|
|
6.6086638E+03 1.02625264251E-03 -4.02937075000E-04 8.95336554467E-05
|
|
1.3107309E+03 8.40828405402E-03 -3.33123980305E-03 7.30371474618E-04
|
|
3.8681121E+02 4.53451837411E-02 -1.82135227531E-02 4.07045428981E-03
|
|
1.3781978E+02 1.64928060483E-01 -6.91135788166E-02 1.52039579143E-02
|
|
5.4579618E+01 3.75031390053E-01 -1.66373104119E-01 3.79308890429E-02
|
|
2.2935656E+01 4.33406362873E-01 -1.98484119187E-01 4.26370128741E-02
|
|
9.6959046E+00 1.55014794365E-01 1.39855323923E-01 -3.50341685677E-02
|
|
3.9922459E+00 5.21237876334E-03 5.86004897427E-01 -1.76403911206E-01
|
|
1.5721764E+00 1.93400994114E-03 4.04991931834E-01 -9.10622284485E-02
|
|
3.5909732E-01 -3.31856231421E-04 2.63130460019E-02 5.21454714505E-01
|
|
1.0528574E-01 1.14291288140E-04 -4.24097846524E-03 6.10537008498E-01
|
|
As p
|
|
1.0528574E-01 9.99996495937E-01
|
|
As p
|
|
2.8566617E-02 9.99999049248E-01
|
|
As d
|
|
1.3796566E+02 9.85209220209E-03
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|
4.0280939E+01 6.57965482169E-02
|
|
1.4521035E+01 2.21674091663E-01
|
|
5.6501102E+00 4.01851687723E-01
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|
2.1613585E+00 4.20381716487E-01
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|
7.6004375E-01 1.84752374709E-01
|
|
3.0271319E-01 9.89041919375E-03
|
|
As d
|
|
3.0271319E-01 9.99985896190E-01
|
|
As d
|
|
1.0085234E-01 9.99995300913E-01
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|
end
|
|
basis "Se_dyall_relapvdz_fi_sf_lc" SPHERICAL
|
|
Se s
|
|
3.4418289E+06 1.13737392247E-04 -3.66583481876E-05 1.44910841234E-05 -4.25542345868E-06
|
|
4.0706814E+05 5.90168907446E-04 -1.91767337487E-04 7.57310993453E-05 -2.22343384020E-05
|
|
7.7724485E+04 2.65700663135E-03 -8.62036934527E-04 3.41638491724E-04 -1.00368503032E-04
|
|
1.9242613E+04 1.06764635334E-02 -3.52366514111E-03 1.39141462534E-03 -4.08480470699E-04
|
|
5.6502473E+03 3.80127031013E-02 -1.25812621236E-02 5.01126698275E-03 -1.47344854248E-03
|
|
1.8742536E+03 1.15059118316E-01 -4.05996166228E-02 1.61237654174E-02 -4.73703855600E-03
|
|
6.8163116E+02 2.73332443347E-01 -1.04816805863E-01 4.27658388874E-02 -1.26209826162E-02
|
|
2.6660898E+02 4.11503274183E-01 -2.14145421268E-01 8.89119855255E-02 -2.62880708240E-02
|
|
1.0952284E+02 2.70124065844E-01 -1.67579742440E-01 7.78373108427E-02 -2.34539172213E-02
|
|
3.5034690E+01 2.99623950427E-02 4.69406073705E-01 -2.96800652252E-01 9.36469671988E-02
|
|
1.4913074E+01 -6.35513537754E-03 6.36166589325E-01 -5.49936198912E-01 1.82614813762E-01
|
|
4.5376170E+00 2.29484659608E-03 7.86031492350E-02 5.29249592506E-01 -2.24132126026E-01
|
|
1.9376206E+00 -1.10964621313E-03 -1.40232482891E-02 7.28078736401E-01 -4.85733310990E-01
|
|
3.7182040E-01 3.05126227303E-04 3.32990801268E-03 3.85569916250E-02 6.79806919334E-01
|
|
1.4072142E-01 -1.31446992578E-04 -1.42185066690E-03 -1.02950045252E-02 5.28022680877E-01
|
|
Se s
|
|
1.4072142E-01 9.99997189941E-01
|
|
Se s
|
|
4.9278383E-02 9.99999015952E-01
|
|
Se p
|
|
7.4146984E+03 9.85416603165E-04 -3.92411338573E-04 9.52606098944E-05
|
|
1.4535510E+03 8.02471478600E-03 -3.22649966994E-03 7.72751795254E-04
|
|
4.2640806E+02 4.35391206533E-02 -1.77273678661E-02 4.32964081582E-03
|
|
1.5142274E+02 1.60031795937E-01 -6.80183501428E-02 1.63486130984E-02
|
|
5.9888667E+01 3.69465500421E-01 -1.66007266809E-01 4.13864857942E-02
|
|
2.5177368E+01 4.36444034375E-01 -2.04108895984E-01 4.80086580996E-02
|
|
1.0701263E+01 1.62949709855E-01 1.28453241665E-01 -3.54857367478E-02
|
|
4.4231956E+00 6.52780410949E-03 5.85234068851E-01 -1.95634782586E-01
|
|
1.7702028E+00 1.87128748660E-03 4.10986396036E-01 -1.00636479809E-01
|
|
4.2839630E-01 -3.41314302838E-04 2.79175144917E-02 5.43962123352E-01
|
|
1.2754023E-01 1.11292565194E-04 -4.00487486863E-03 5.92182291024E-01
|
|
Se p
|
|
1.2754023E-01 9.99995755292E-01
|
|
Se p
|
|
3.5265773E-02 9.99998826289E-01
|
|
Se d
|
|
1.5513405E+02 9.32289831088E-03
|
|
4.5376266E+01 6.33088962787E-02
|
|
1.6426797E+01 2.17236865606E-01
|
|
6.4410698E+00 4.01960833600E-01
|
|
2.4987276E+00 4.23408731640E-01
|
|
8.9598920E-01 1.79519980526E-01
|
|
3.6572097E-01 8.76589452566E-03
|
|
Se d
|
|
3.6572097E-01 9.99982960850E-01
|
|
Se d
|
|
1.2830440E-01 9.99994021860E-01
|
|
end
|
|
basis "Br_dyall_relapvdz_fi_sf_lc" SPHERICAL
|
|
Br s
|
|
3.7895813E+06 1.16000058529E-04 -3.75577238854E-05 1.49938200923E-05 -4.60819821881E-06
|
|
4.4717799E+05 5.92186691220E-04 -1.93303836496E-04 7.71094118576E-05 -2.36973451937E-05
|
|
8.5061721E+04 2.63440293402E-03 -8.59037355659E-04 3.43803333918E-04 -1.05699126412E-04
|
|
2.0977397E+04 1.05188861523E-02 -3.48848779428E-03 1.39171731227E-03 -4.27737917361E-04
|
|
6.1380826E+03 3.73743173405E-02 -1.24326441926E-02 5.00017912730E-03 -1.53828916195E-03
|
|
2.0298456E+03 1.13276905838E-01 -4.01221914044E-02 1.61005450893E-02 -4.95328107717E-03
|
|
7.3621983E+02 2.70428435438E-01 -1.03991213319E-01 4.28226313269E-02 -1.32201855213E-02
|
|
2.8721282E+02 4.11366554044E-01 -2.13634036464E-01 8.96536666588E-02 -2.77769219699E-02
|
|
1.1766792E+02 2.74543738777E-01 -1.71137899170E-01 7.99855169140E-02 -2.51711604530E-02
|
|
3.7649015E+01 3.12400781837E-02 4.63125677413E-01 -2.95782607134E-01 9.76668133258E-02
|
|
1.6068678E+01 -6.74054816093E-03 6.39909296048E-01 -5.59769330969E-01 1.95938915949E-01
|
|
4.9578277E+00 2.50576794404E-03 8.21870903683E-02 5.13058342552E-01 -2.31255693841E-01
|
|
2.1507746E+00 -1.23203156004E-03 -1.48004263767E-02 7.43896144209E-01 -5.19118444271E-01
|
|
4.3577719E-01 3.44549219413E-04 3.50425042715E-03 4.18591069827E-02 6.88906594774E-01
|
|
1.6587169E-01 -1.45272537776E-04 -1.47147097455E-03 -1.04920362796E-02 5.34359015994E-01
|
|
Br s
|
|
1.6587169E-01 9.99996687725E-01
|
|
Br s
|
|
5.7784523E-02 9.99998846093E-01
|
|
Br p
|
|
8.2263682E+03 9.59701133423E-04 -3.87426378611E-04 1.00729287850E-04
|
|
1.5952921E+03 7.76341962635E-03 -3.16534229931E-03 8.11977733166E-04
|
|
4.6530995E+02 4.23163580125E-02 -1.74613167119E-02 4.56881791140E-03
|
|
1.6469220E+02 1.56813515443E-01 -6.75656545043E-02 1.73977475312E-02
|
|
6.5035208E+01 3.66025901113E-01 -1.66643931484E-01 4.45352038110E-02
|
|
2.7337365E+01 4.38523050478E-01 -2.08583562226E-01 5.26302622111E-02
|
|
1.1649478E+01 1.67897670101E-01 1.22951639191E-01 -3.67450362621E-02
|
|
4.8374515E+00 7.23447870540E-03 5.85927232334E-01 -2.13181018908E-01
|
|
1.9673705E+00 1.86899214502E-03 4.11473527598E-01 -1.06449862315E-01
|
|
5.0065031E-01 -3.66621597821E-04 2.88393064827E-02 5.61891802713E-01
|
|
1.5075992E-01 1.12544492208E-04 -3.63585295684E-03 5.77917359433E-01
|
|
Br p
|
|
1.5075992E-01 9.99994982531E-01
|
|
Br p
|
|
4.1995292E-02 9.99998602319E-01
|
|
Br d
|
|
1.7296284E+02 8.89137449662E-03
|
|
5.0656480E+01 6.12602853442E-02
|
|
1.8403483E+01 2.13561735110E-01
|
|
7.2628043E+00 4.02137122624E-01
|
|
2.8508637E+00 4.25893135628E-01
|
|
1.0383609E+00 1.75074572231E-01
|
|
4.3215895E-01 7.92992802680E-03
|
|
Br d
|
|
4.3215895E-01 9.99979865809E-01
|
|
Br d
|
|
1.5902031E-01 9.99992590760E-01
|
|
end
|
|
basis "In_dyall_relapvdz_fi_sf_lc" SPHERICAL
|
|
In s
|
|
3.5273853E+07 5.41135184009E-05 -1.85274546233E-05 8.14394709110E-06 3.49789525548E-06 9.73078777184E-07
|
|
5.5955652E+06 1.89890241221E-04 -6.52320330178E-05 2.87077168001E-05 1.23254076267E-05 3.42807769853E-06
|
|
1.2143865E+06 5.88109023425E-04 -2.03121309645E-04 8.93558827751E-05 3.83997973844E-05 1.06843559892E-05
|
|
3.1483490E+05 1.74540992309E-03 -6.06501651245E-04 2.67516666680E-04 1.14843871425E-04 3.19369806172E-05
|
|
9.3260917E+04 5.10934537863E-03 -1.79081269113E-03 7.88740085977E-04 3.39295848482E-04 9.44388944681E-05
|
|
3.0645910E+04 1.46514914828E-02 -5.18386075648E-03 2.29493907661E-03 9.84982346280E-04 2.73842569711E-04
|
|
1.0953510E+04 4.02003313938E-02 -1.45119266962E-02 6.41025283021E-03 2.76237588785E-03 7.69313941006E-04
|
|
4.1948598E+03 1.01414110606E-01 -3.80030206408E-02 1.69950503161E-02 7.29861062472E-03 2.02869024058E-03
|
|
1.7007703E+03 2.18811037048E-01 -8.96843944013E-02 4.02791324197E-02 1.74508954037E-02 4.86678043131E-03
|
|
7.2264737E+02 3.51228211911E-01 -1.72546029626E-01 8.08012601145E-02 3.49047346405E-02 9.70424886563E-03
|
|
3.1801130E+02 3.17117375981E-01 -2.12559838160E-01 1.02562738403E-01 4.55596602945E-02 1.27901170722E-02
|
|
1.3987329E+02 9.26430340531E-02 4.29986306856E-02 -2.42266858295E-02 -1.27554851499E-02 -3.78651400456E-03
|
|
6.5405728E+01 -1.39529775782E-03 5.61046644272E-01 -4.49676177576E-01 -2.13653990325E-01 -6.01951752634E-02
|
|
3.0768410E+01 2.18851206393E-03 4.88012905386E-01 -4.97731247658E-01 -2.69978990470E-01 -7.89639752068E-02
|
|
1.2042923E+01 -1.12325370174E-03 6.54920505576E-02 5.62265192769E-01 4.34682253693E-01 1.36371350282E-01
|
|
5.9404913E+00 5.76698713293E-04 -9.73745186603E-03 7.38053545676E-01 7.86636322975E-01 2.55254675743E-01
|
|
2.0529594E+00 -2.18950415206E-04 2.73454585893E-03 6.92339040957E-02 -7.19916803784E-01 -3.18334688254E-01
|
|
9.1175079E-01 9.55660416633E-05 -1.18634019603E-03 -9.38205568168E-03 -6.90167603678E-01 -4.21209668300E-01
|
|
1.6986675E-01 -2.25817740088E-05 2.62192891931E-04 1.98174411025E-03 -2.48082811692E-02 6.62418943613E-01
|
|
6.3031726E-02 9.58891208522E-06 -1.10939711198E-04 -8.12857349691E-04 6.71305321321E-03 5.33190364493E-01
|
|
In s
|
|
6.3031726E-02 9.99998741312E-01
|
|
In s
|
|
1.9569848E-02 9.99999609205E-01
|
|
In p
|
|
1.5343905E+05 1.56077448096E-04 -7.16233984085E-05 2.93293710500E-05 -5.88969273928E-06
|
|
2.3200840E+04 7.70292454732E-04 -3.54489937882E-04 1.44789163844E-04 -2.91089437603E-05
|
|
5.5031001E+03 4.01368598572E-03 -1.86051331243E-03 7.65238901099E-04 -1.53572512988E-04
|
|
1.6982515E+03 1.89544677566E-02 -8.86577199654E-03 3.62598644453E-03 -7.29720702790E-04
|
|
6.1832874E+02 7.24767189168E-02 -3.48133547650E-02 1.44327245747E-02 -2.89793787827E-03
|
|
2.5100531E+02 2.06684470236E-01 -1.03669961313E-01 4.28937404954E-02 -8.65310925643E-03
|
|
1.0931559E+02 3.86445795722E-01 -2.08250127774E-01 8.88106875544E-02 -1.78638846505E-02
|
|
4.9808315E+01 3.72849240338E-01 -1.79210668291E-01 7.07251751222E-02 -1.43344662048E-02
|
|
2.2516122E+01 1.19374664487E-01 2.35203879547E-01 -1.32834212824E-01 2.83786091558E-02
|
|
1.0496080E+01 1.72853853401E-03 6.06397791302E-01 -3.99757646893E-01 8.44808066104E-02
|
|
4.9584017E+00 2.32702094118E-03 2.89025887235E-01 -5.04615593600E-02 6.94963764257E-03
|
|
2.0901780E+00 -9.85632641948E-04 2.04805066260E-02 6.68622344896E-01 -1.83285803639E-01
|
|
8.4039014E-01 2.73480002007E-04 4.24940161422E-04 4.66795526818E-01 -1.17381811864E-01
|
|
1.8883852E-01 -7.55627497059E-05 4.51675370097E-05 2.78215045833E-02 4.38656203011E-01
|
|
5.5054613E-02 2.62405771843E-05 -1.60045432251E-05 -4.62381386403E-03 6.91036134936E-01
|
|
In p
|
|
5.5054613E-02 9.99998167685E-01
|
|
In p
|
|
1.2852814E-02 9.99999572232E-01
|
|
In d
|
|
6.8982131E+02 3.48022254589E-03 -1.25232308151E-03
|
|
2.0085350E+02 2.84617300865E-02 -1.01357264243E-02
|
|
7.5107455E+01 1.23000871841E-01 -4.52822104033E-02
|
|
3.1500654E+01 3.12504184786E-01 -1.13217785178E-01
|
|
1.3826508E+01 4.43838784604E-01 -1.57348200114E-01
|
|
6.2052383E+00 2.81654918888E-01 1.10788063503E-02
|
|
2.5683242E+00 4.64536130182E-02 4.01061348070E-01
|
|
1.0117775E+00 -1.28598686624E-03 5.20665397901E-01
|
|
3.5616355E-01 8.62560752697E-04 2.36822153302E-01
|
|
1.5088292E-01 -3.31022747263E-04 1.24980416455E-02
|
|
In d
|
|
1.5088292E-01 9.99992969891E-01
|
|
In d
|
|
4.3912144E-02 9.99997953939E-01
|
|
end
|
|
basis "Sn_dyall_relapvdz_fi_sf_lc" SPHERICAL
|
|
Sn s
|
|
3.6003685E+07 5.69982782402E-05 -1.95915662875E-05 8.65220723607E-06 3.76516351988E-06 1.13133921152E-06
|
|
5.8067184E+06 1.97741133631E-04 -6.81947655633E-05 3.01523615279E-05 1.31167783045E-05 3.94058715916E-06
|
|
1.2727830E+06 6.05203152239E-04 -2.09866433286E-04 9.27612563264E-05 4.03876064830E-05 1.21374066279E-05
|
|
3.3188926E+05 1.77442908687E-03 -6.19107735427E-04 2.74360369665E-04 1.19345150481E-04 3.58503004030E-05
|
|
9.8649286E+04 5.13697984707E-03 -1.80845415451E-03 8.00367208607E-04 3.48813679345E-04 1.04859022435E-04
|
|
3.2477697E+04 1.45994122296E-02 -5.18822667013E-03 2.30773136429E-03 1.00370275609E-03 3.01445186606E-04
|
|
1.1619233E+04 3.98034272475E-02 -1.44345709954E-02 6.40745782531E-03 2.79723463808E-03 8.41324572906E-04
|
|
4.4515132E+03 1.00077228204E-01 -3.76395438927E-02 1.69105324446E-02 7.36004602383E-03 2.21018952287E-03
|
|
1.8049709E+03 2.15950240955E-01 -8.87319510057E-02 4.00416429991E-02 1.75724575286E-02 5.29214065473E-03
|
|
7.6692971E+02 3.48591730409E-01 -1.70906692157E-01 8.03479758885E-02 3.51831484458E-02 1.05705894970E-02
|
|
3.3769568E+02 3.19291275447E-01 -2.13135429477E-01 1.03270838695E-01 4.64329126174E-02 1.40695110853E-02
|
|
1.4941795E+02 9.67121374475E-02 3.41555288229E-02 -1.95509971731E-02 -1.06526048520E-02 -3.42239513844E-03
|
|
6.9479760E+01 -5.44189893337E-04 5.55391109096E-01 -4.44916815738E-01 -2.14587533576E-01 -6.54419688258E-02
|
|
3.2638162E+01 2.03471555670E-03 4.96714071301E-01 -5.09954988407E-01 -2.79913628351E-01 -8.84046763765E-02
|
|
1.2803297E+01 -1.07753922942E-03 6.87745507742E-02 5.49109927200E-01 4.31413132520E-01 1.46549776314E-01
|
|
6.3511153E+00 5.64912533723E-04 -1.04777645880E-02 7.48384671858E-01 8.10885814358E-01 2.86962277098E-01
|
|
2.2359332E+00 -2.22988007504E-04 3.04587685984E-03 7.43240201069E-02 -6.98394743242E-01 -3.39220297902E-01
|
|
1.0133249E+00 1.00242110911E-04 -1.34907137985E-03 -1.01601685818E-02 -7.17361827073E-01 -4.79465631490E-01
|
|
2.0620170E-01 -2.46092899512E-05 3.10549201382E-04 2.17558947646E-03 -2.78336928711E-02 6.98631361109E-01
|
|
7.8132498E-02 1.01773046548E-05 -1.27647013489E-04 -8.73338629050E-04 6.97191937619E-03 5.24527167280E-01
|
|
Sn s
|
|
7.8132498E-02 9.99998439765E-01
|
|
Sn s
|
|
2.6090678E-02 9.99999478990E-01
|
|
Sn p
|
|
1.7556411E+05 1.50650653871E-04 -6.95395476151E-05 2.89845513282E-05 -6.74248013263E-06
|
|
2.6360370E+04 7.24616766019E-04 -3.35551228312E-04 1.39504902185E-04 -3.25145189776E-05
|
|
6.1852424E+03 3.71121200287E-03 -1.72965499400E-03 7.24198682753E-04 -1.68245123886E-04
|
|
1.8905853E+03 1.75140289450E-02 -8.24160083144E-03 3.43040417300E-03 -8.00766782689E-04
|
|
6.8361664E+02 6.76371564266E-02 -3.26139484622E-02 1.37626031265E-02 -3.19801448981E-03
|
|
2.7617930E+02 1.96423782077E-01 -9.89180736175E-02 4.16413728375E-02 -9.74905344846E-03
|
|
1.1991829E+02 3.78199659412E-01 -2.04022891945E-01 8.85390858170E-02 -2.05929748974E-02
|
|
5.4568520E+01 3.82556092344E-01 -1.91728634617E-01 7.80318245073E-02 -1.84704509525E-02
|
|
2.4834700E+01 1.32636695930E-01 2.02881943987E-01 -1.17928207499E-01 2.97451166395E-02
|
|
1.1594392E+01 3.82148518656E-03 6.03157289836E-01 -4.04136143057E-01 9.85209229540E-02
|
|
5.5089234E+00 2.22109550701E-03 3.17023712183E-01 -8.63222900078E-02 1.91072837457E-02
|
|
2.3139102E+00 -9.59864878528E-04 2.60777359696E-02 6.63036030009E-01 -2.18695910249E-01
|
|
9.4612519E-01 2.71685523709E-04 -8.53369050043E-05 4.84474214255E-01 -1.37625213657E-01
|
|
2.2149651E-01 -7.86662699288E-05 1.54401172394E-04 2.96518232934E-02 5.11157984676E-01
|
|
6.8160564E-02 2.80971341849E-05 -5.89658799452E-05 -4.81587938008E-03 6.25779055842E-01
|
|
Sn p
|
|
6.8160564E-02 9.99997731502E-01
|
|
Sn p
|
|
1.8703874E-02 9.99999377498E-01
|
|
Sn d
|
|
7.5613441E+02 3.21962176605E-03 -1.20993450242E-03
|
|
2.1973777E+02 2.65659935574E-02 -9.88796495651E-03
|
|
8.2222517E+01 1.16477429626E-01 -4.47729298427E-02
|
|
3.4557054E+01 3.02463598822E-01 -1.14806068973E-01
|
|
1.5232025E+01 4.42025330160E-01 -1.64457064258E-01
|
|
6.8776607E+00 2.93982317961E-01 -2.14112022919E-03
|
|
2.8867910E+00 5.27602034472E-02 3.97442018061E-01
|
|
1.1623384E+00 -1.33460310050E-03 5.28347732459E-01
|
|
4.2174340E-01 9.89083694746E-04 2.28635912874E-01
|
|
1.8443076E-01 -3.87758186234E-04 1.05723816956E-02
|
|
Sn d
|
|
1.8443076E-01 9.99991406865E-01
|
|
Sn d
|
|
6.0682311E-02 9.99997172555E-01
|
|
end
|
|
basis "Sb_dyall_relapvdz_fi_sf_lc" SPHERICAL
|
|
Sb s
|
|
3.7139322E+07 5.96752306621E-05 -2.05917578951E-05 9.13498476691E-06 4.02568950410E-06 1.28126149279E-06
|
|
6.0704746E+06 2.04901221012E-04 -7.09388763108E-05 3.15067930734E-05 1.38803651338E-05 4.41714066916E-06
|
|
1.3412241E+06 6.20292173269E-04 -2.15957332572E-04 9.58879779650E-05 4.22779172601E-05 1.34576785290E-05
|
|
3.5130597E+05 1.79801380560E-03 -6.29878169172E-04 2.80391275715E-04 1.23526111181E-04 3.93071399426E-05
|
|
1.0467895E+05 5.15066328833E-03 -1.82120043954E-03 8.09753872478E-04 3.57365769332E-04 1.13784884559E-04
|
|
3.4502938E+04 1.45140606241E-02 -5.18041186755E-03 2.31470514475E-03 1.01966572866E-03 3.24426242921E-04
|
|
1.2348351E+04 3.93353878793E-02 -1.43293908571E-02 6.39079391928E-03 2.82510616073E-03 8.99912572561E-04
|
|
4.7303981E+03 9.86117084388E-02 -3.72204933199E-02 1.67963977873E-02 7.40485541561E-03 2.35594625784E-03
|
|
1.9174365E+03 2.12915410740E-01 -8.76860363859E-02 3.97495475903E-02 1.76621319415E-02 5.63285354484E-03
|
|
8.1445573E+02 3.45840832779E-01 -1.69163371831E-01 7.98207973932E-02 3.54093545338E-02 1.12745322905E-02
|
|
3.5873859E+02 3.21601094674E-01 -2.13688501306E-01 1.03940617540E-01 4.72864191162E-02 1.51649361621E-02
|
|
1.5959530E+02 1.01120585584E-01 2.52305932079E-02 -1.48020468731E-02 -8.47625250439E-03 -2.89144626142E-03
|
|
7.3751405E+01 3.83786464894E-04 5.49502082223E-01 -4.39930025809E-01 -2.15220606808E-01 -6.96714634313E-02
|
|
3.4589058E+01 1.86610611264E-03 5.05364369588E-01 -5.21856352028E-01 -2.89830274476E-01 -9.69168609974E-02
|
|
1.3594156E+01 -1.02219900744E-03 7.21348222123E-02 5.35802038171E-01 4.27813028132E-01 1.54204317649E-01
|
|
6.7788357E+00 5.46026795245E-04 -1.12365799389E-02 7.58577226813E-01 8.34577696267E-01 3.15782221045E-01
|
|
2.4248870E+00 -2.23193858078E-04 3.36733342400E-03 7.93917839065E-02 -6.79403087132E-01 -3.55585497749E-01
|
|
1.1196249E+00 1.02988982679E-04 -1.51809608421E-03 -1.09560469199E-02 -7.41731448565E-01 -5.30474163374E-01
|
|
2.4392169E-01 -2.58900749306E-05 3.58648073008E-04 2.34165630815E-03 -3.07026690732E-02 7.24363087851E-01
|
|
9.3738580E-02 1.04316735550E-05 -1.43275544141E-04 -9.22465367343E-04 7.14047281101E-03 5.23494648585E-01
|
|
Sb s
|
|
9.3738580E-02 9.99998128129E-01
|
|
Sb s
|
|
3.1954356E-02 9.99999361897E-01
|
|
Sb p
|
|
2.0066627E+05 1.45551095222E-04 -6.75659619958E-05 2.86407053245E-05 -7.37615408717E-06
|
|
2.9934203E+04 6.83100276560E-04 -3.18217641848E-04 1.34557022186E-04 -3.47235084462E-05
|
|
6.9502806E+03 3.43588732002E-03 -1.60968271279E-03 6.85467897466E-04 -1.76283115082E-04
|
|
2.1039777E+03 1.61859001972E-02 -7.66116871166E-03 3.24278012641E-03 -8.38263323682E-04
|
|
7.5541099E+02 6.30873734810E-02 -3.05324861595E-02 1.31028516480E-02 -3.37021868427E-03
|
|
3.0367606E+02 1.86438479285E-01 -9.42471041402E-02 4.03361155662E-02 -1.04590891709E-02
|
|
1.3145302E+02 3.69295689236E-01 -1.99379440162E-01 8.79584675647E-02 -2.26467717641E-02
|
|
5.9741391E+01 3.91017908824E-01 -2.02779203534E-01 8.48277235459E-02 -2.22575488172E-02
|
|
2.7362415E+01 1.46591990282E-01 1.71058709479E-01 -1.02807445388E-01 2.90513467557E-02
|
|
1.2773639E+01 6.49401563107E-03 5.97766652067E-01 -4.06550599730E-01 1.09972660001E-01
|
|
6.0915680E+00 2.02955349997E-03 3.44772407707E-01 -1.21533881634E-01 3.18251691195E-02
|
|
2.5522684E+00 -9.04742597553E-04 3.21098900560E-02 6.54968939434E-01 -2.44783415117E-01
|
|
1.0618502E+00 2.60996135400E-04 -6.59459038220E-04 5.02148478957E-01 -1.59976913116E-01
|
|
2.6284350E-01 -7.93166820838E-05 2.86189208345E-04 3.23833828549E-02 5.47029883206E-01
|
|
8.2855312E-02 2.82889658640E-05 -1.09575616562E-04 -4.78198981732E-03 5.97890322349E-01
|
|
Sb p
|
|
8.2855312E-02 9.99997242443E-01
|
|
Sb p
|
|
2.3905405E-02 9.99999204381E-01
|
|
Sb d
|
|
8.2274435E+02 3.01668278375E-03 -1.17718278301E-03
|
|
2.3862421E+02 2.50709286987E-02 -9.69719469331E-03
|
|
8.9320021E+01 1.11277428885E-01 -4.44107385379E-02
|
|
3.7599814E+01 2.94264919199E-01 -1.16298242206E-01
|
|
1.6630446E+01 4.40213122169E-01 -1.70723318391E-01
|
|
7.5470265E+00 3.03661160213E-01 -1.29784265685E-02
|
|
3.2057523E+00 5.81520860609E-02 3.95183317768E-01
|
|
1.3141999E+00 -1.31198958728E-03 5.34691269294E-01
|
|
4.8770339E-01 1.08741530279E-03 2.21254209715E-01
|
|
2.2123480E-01 -4.39554891331E-04 9.22191650357E-03
|
|
Sb d
|
|
2.2123480E-01 9.99989692162E-01
|
|
Sb d
|
|
7.9478182E-02 9.99996296794E-01
|
|
end
|
|
basis "Te_dyall_relapvdz_fi_sf_lc" SPHERICAL
|
|
Te s
|
|
3.7317280E+07 6.33215080071E-05 -2.19358265595E-05 9.77348370183E-06 4.35926774635E-06 1.45189616427E-06
|
|
6.2149644E+06 2.14921420864E-04 -7.47020157375E-05 3.33218649504E-05 1.48582716501E-05 4.94823930701E-06
|
|
1.3893377E+06 6.42998032578E-04 -2.24768337811E-04 1.00237301643E-04 4.47307877334E-05 1.48997345622E-05
|
|
3.6654660E+05 1.84144985147E-03 -6.47768861622E-04 2.89608102230E-04 1.29140721131E-04 4.30066127526E-05
|
|
1.0972341E+05 5.21624137183E-03 -1.85254911380E-03 8.27378038569E-04 3.69560294965E-04 1.23127118575E-04
|
|
3.6268603E+04 1.45607786566E-02 -5.22061406367E-03 2.34288825744E-03 1.04471416888E-03 3.47892313790E-04
|
|
1.3002736E+04 3.91814716393E-02 -1.43403297579E-02 6.42488915017E-03 2.87446957263E-03 9.58058808176E-04
|
|
4.9861643E+03 9.77882570044E-02 -3.70610895453E-02 1.67968967376E-02 7.49622835218E-03 2.49646724788E-03
|
|
2.0223146E+03 2.10832151567E-01 -8.70991674471E-02 3.96609707807E-02 1.78345558180E-02 5.95077513726E-03
|
|
8.5935647E+02 3.43518297242E-01 -1.67964209370E-01 7.95554106944E-02 3.57306852050E-02 1.19116400217E-02
|
|
3.7879619E+02 3.22741780556E-01 -2.13715887244E-01 1.04369675210E-01 4.80327184197E-02 1.61082171404E-02
|
|
1.6921220E+02 1.04324752497E-01 1.94081994359E-02 -1.18388380778E-02 -7.12601355478E-03 -2.53759604326E-03
|
|
7.7894761E+01 1.09708678008E-03 5.44749538046E-01 -4.36666562363E-01 -2.16557791291E-01 -7.35166523765E-02
|
|
3.6514229E+01 1.74070366367E-03 5.11247107266E-01 -5.30777449689E-01 -2.98417019251E-01 -1.04397295013E-01
|
|
1.4397038E+01 -9.82490600545E-04 7.48456887500E-02 5.25074806125E-01 4.26251107464E-01 1.60999633157E-01
|
|
7.2142155E+00 5.33408376572E-04 -1.18346605894E-02 7.66714902088E-01 8.56069180351E-01 3.42035665103E-01
|
|
2.6191775E+00 -2.24770178198E-04 3.63988899557E-03 8.40289495905E-02 -6.63794163926E-01 -3.69794455160E-01
|
|
1.2298459E+00 1.05987156605E-04 -1.66628564448E-03 -1.16642709095E-02 -7.62925473989E-01 -5.75753865225E-01
|
|
2.8314368E-01 -2.70555988815E-05 4.00327448477E-04 2.46860918245E-03 -3.33646979321E-02 7.44862099345E-01
|
|
1.0993922E-01 1.06302632419E-05 -1.55576029345E-04 -9.57092353626E-04 7.22305335668E-03 5.25490429721E-01
|
|
Te s
|
|
1.0993922E-01 9.99997804621E-01
|
|
Te s
|
|
3.7609302E-02 9.99999248973E-01
|
|
Te p
|
|
2.2700415E+05 1.41831597721E-04 -6.62001047282E-05 2.85119040392E-05 -7.92162699157E-06
|
|
3.3675937E+04 6.51376209542E-04 -3.05171513901E-04 1.31124306734E-04 -3.65042685935E-05
|
|
7.7445553E+03 3.21941116214E-03 -1.51599429637E-03 6.55942598790E-04 -1.81973898763E-04
|
|
2.3230247E+03 1.51239152615E-02 -7.19898367518E-03 3.09606476456E-03 -8.63510400469E-04
|
|
8.2838118E+02 5.93950213290E-02 -2.88573493983E-02 1.25820447998E-02 -3.49098866241E-03
|
|
3.3140183E+02 1.78145754170E-01 -9.04076529501E-02 3.93065594803E-02 -1.09976805912E-02
|
|
1.4301670E+02 3.61368957247E-01 -1.95375978303E-01 8.75406956484E-02 -2.43168789162E-02
|
|
6.4905819E+01 3.97352020054E-01 -2.11186217811E-01 9.04344717330E-02 -2.56127195794E-02
|
|
2.9863622E+01 1.58865255922E-01 1.45324202784E-01 -9.06363521201E-02 2.79544705452E-02
|
|
1.3926391E+01 9.14250227290E-03 5.92280828747E-01 -4.09029514953E-01 1.19691276620E-01
|
|
6.6553399E+00 1.81938733337E-03 3.66780618861E-01 -1.49310302589E-01 4.33760216684E-02
|
|
2.7883962E+00 -8.43749703560E-04 3.73357100553E-02 6.48466220885E-01 -2.66868090576E-01
|
|
1.1797399E+00 2.46525586510E-04 -1.17903824851E-03 5.15163180694E-01 -1.79221043163E-01
|
|
3.0651489E-01 -7.78988364798E-05 4.06425005346E-04 3.47924932760E-02 5.72063268639E-01
|
|
9.8149645E-02 2.77088063581E-05 -1.55792208358E-04 -4.61870123949E-03 5.80644033830E-01
|
|
Te p
|
|
9.8149645E-02 9.99996733432E-01
|
|
Te p
|
|
2.8891834E-02 9.99999038424E-01
|
|
Te d
|
|
8.9045304E+02 2.85149006257E-03 -1.15022933531E-03
|
|
2.5774269E+02 2.38398382684E-02 -9.53880189524E-03
|
|
9.6487271E+01 1.06955312511E-01 -4.41223183205E-02
|
|
4.0667485E+01 2.87311603525E-01 -1.17655593088E-01
|
|
1.8039816E+01 4.38452573794E-01 -1.76343836710E-01
|
|
8.2221940E+00 3.11599976635E-01 -2.22454271689E-02
|
|
3.5287484E+00 6.28808373774E-02 3.93749465999E-01
|
|
1.4688800E+00 -1.24441518417E-03 5.40042847859E-01
|
|
5.5474524E-01 1.15936352157E-03 2.14736310864E-01
|
|
2.5935413E-01 -4.81983192236E-04 8.23519133162E-03
|
|
Te d
|
|
2.5935413E-01 9.99987916213E-01
|
|
Te d
|
|
1.0038750E-01 9.99995322570E-01
|
|
end
|
|
basis "I_dyall_relapvdz_fi_sf_lc" SPHERICAL
|
|
I s
|
|
3.8827270E+07 6.59415597850E-05 -2.29325328711E-05 1.02601562905E-05 4.62902307431E-06 1.60005894233E-06
|
|
6.5322030E+06 2.21803853661E-04 -7.73932334160E-05 3.46656107757E-05 1.56357989169E-05 5.40435551887E-06
|
|
1.4690767E+06 6.57139364825E-04 -2.30621741750E-04 1.03279687128E-04 4.66185311035E-05 1.61156098987E-05
|
|
3.8884228E+05 1.86239677611E-03 -6.57772358348E-04 2.95303048724E-04 1.33204182701E-04 4.60412648542E-05
|
|
1.1658354E+05 5.22384575019E-03 -1.86326371005E-03 8.35734065232E-04 3.77580567020E-04 1.30550070188E-04
|
|
3.8555711E+04 1.44642668059E-02 -5.20853827342E-03 2.34725826856E-03 1.05883566739E-03 3.65983220327E-04
|
|
1.3820613E+04 3.87003069226E-02 -1.42277454221E-02 6.40226419834E-03 2.89718053906E-03 1.00203453152E-03
|
|
5.2970277E+03 9.63222145384E-02 -3.66359928762E-02 1.66721105184E-02 7.52748455617E-03 2.60231460609E-03
|
|
2.1469383E+03 2.07820950848E-01 -8.60502550219E-02 3.93470498882E-02 1.78947869874E-02 6.19537352460E-03
|
|
9.1174304E+02 3.40719570367E-01 -1.66228286075E-01 7.89947528745E-02 3.58962486832E-02 1.24253976322E-02
|
|
4.0189592E+02 3.24898996218E-01 -2.14080351655E-01 1.04908384864E-01 4.88056263154E-02 1.69744302930E-02
|
|
1.8029330E+02 1.08891064368E-01 1.12509667327E-02 -7.49319472063E-03 -5.07225223940E-03 -1.88201914774E-03
|
|
8.2464682E+01 2.08057422353E-03 5.38866320553E-01 -4.31840512944E-01 -2.16898871782E-01 -7.65645274448E-02
|
|
3.8596572E+01 1.56126336905E-03 5.19021810438E-01 -5.41335953563E-01 -3.07777717134E-01 -1.11708278660E-01
|
|
1.5243975E+01 -9.15921147260E-04 7.81206233269E-02 5.12362834285E-01 4.22592309556E-01 1.65831748785E-01
|
|
7.6733417E+00 5.04534905775E-04 -1.25672081001E-02 7.76097654179E-01 8.78093668563E-01 3.67154867426E-01
|
|
2.8196232E+00 -2.18762877329E-04 3.95882133374E-03 8.88825259301E-02 -6.49218794691E-01 -3.81699369405E-01
|
|
1.3448350E+00 1.05414287416E-04 -1.83754556947E-03 -1.24743826481E-02 -7.82436660656E-01 -6.16949835078E-01
|
|
3.2392157E-01 -2.71869378789E-05 4.46649066146E-04 2.59845735701E-03 -3.59572001408E-02 7.62027280032E-01
|
|
1.2679223E-01 1.04317463917E-05 -1.69203345964E-04 -9.94520804184E-04 7.27827294527E-03 5.28846631581E-01
|
|
I s
|
|
1.2679223E-01 9.99997468088E-01
|
|
I s
|
|
4.3232875E-02 9.99999136676E-01
|
|
I p
|
|
2.5437690E+05 1.39292074550E-04 -6.53595698289E-05 2.85742315943E-05 -8.42485344082E-06
|
|
3.7550013E+04 6.27665401680E-04 -2.95668191690E-04 1.28970223014E-04 -3.81015744053E-05
|
|
8.5598497E+03 3.05097977649E-03 -1.44391887686E-03 6.34178538990E-04 -1.86699001420E-04
|
|
2.5453153E+03 1.42827445399E-02 -6.83571198576E-03 2.98429493193E-03 -8.83358510174E-04
|
|
9.0167892E+02 5.64368910057E-02 -2.75314383434E-02 1.21845134853E-02 -3.58740615284E-03
|
|
3.5901989E+02 1.71401276452E-01 -8.73337691064E-02 3.85390358480E-02 -1.14449349544E-02
|
|
1.5445974E+02 3.54631855760E-01 -1.92119172752E-01 8.73535214992E-02 -2.57523311281E-02
|
|
6.9988166E+01 4.02083717627E-01 -2.17588458776E-01 9.50781070737E-02 -2.85885467395E-02
|
|
3.2296925E+01 1.69238654500E-01 1.25190625111E-01 -8.12022589004E-02 2.68972634796E-02
|
|
1.5039799E+01 1.15468853643E-02 5.87481144317E-01 -4.12190094262E-01 1.28347008380E-01
|
|
7.1982764E+00 1.62366991295E-03 3.83455271512E-01 -1.70460420246E-01 5.34081087114E-02
|
|
3.0206841E+00 -7.87619286650E-04 4.16420968151E-02 6.44298855991E-01 -2.86831443363E-01
|
|
1.2986469E+00 2.32249663092E-04 -1.63527626714E-03 5.23800575114E-01 -1.94975714066E-01
|
|
3.5172841E-01 -7.56503746981E-05 5.09593497616E-04 3.67705272609E-02 5.91875344501E-01
|
|
1.1394397E-01 2.69178695309E-05 -1.95915244726E-04 -4.36597400732E-03 5.68175721220E-01
|
|
I p
|
|
1.1394397E-01 9.99996207784E-01
|
|
I p
|
|
3.3808205E-02 9.99998874799E-01
|
|
I d
|
|
9.5973373E+02 2.71297695206E-03 -1.12712831884E-03
|
|
2.7722627E+02 2.27963918648E-02 -9.40074746660E-03
|
|
1.0377420E+02 1.03260743676E-01 -4.38732614526E-02
|
|
4.3781879E+01 2.81263604524E-01 -1.18873759815E-01
|
|
1.9470228E+01 4.36761666843E-01 -1.81441889780E-01
|
|
8.9080134E+00 3.18309451747E-01 -3.03872929162E-02
|
|
3.8577521E+00 6.70998508325E-02 3.92853412815E-01
|
|
1.6272114E+00 -1.14886780818E-03 5.44637618565E-01
|
|
6.2325440E-01 1.21111938254E-03 2.08980308502E-01
|
|
2.9852385E-01 -5.16269791137E-04 7.48477970003E-03
|
|
I d
|
|
2.9852385E-01 9.99986091363E-01
|
|
I d
|
|
1.2325670E-01 9.99994257043E-01
|
|
end
|
|
basis "Tl_dyall_relapvdz_fi_sf_lc" SPHERICAL
|
|
Tl s
|
|
5.8033828E+07 2.34162881985E-04 -9.18302502392E-05 4.41229568211E-05 2.21862138802E-05 -9.82914637575E-06 -3.10975518539E-06
|
|
1.4702562E+07 5.81382754931E-04 -2.28939718468E-04 1.10097464239E-04 5.53539031484E-05 -2.45275521628E-05 -7.75992382477E-06
|
|
4.6355575E+06 1.25592004261E-03 -4.96954488204E-04 2.39104296662E-04 1.20287696629E-04 -5.32921649743E-05 -1.68611001716E-05
|
|
1.5852740E+06 2.55564341695E-03 -1.01929439614E-03 4.91258326176E-04 2.47073294845E-04 -1.09501667375E-04 -3.46439475333E-05
|
|
5.7924626E+05 5.17537219267E-03 -2.08453388351E-03 1.00566506096E-03 5.06396577849E-04 -2.24367427558E-04 -7.09912032461E-05
|
|
2.2187944E+05 1.04584849634E-02 -4.27085866769E-03 2.06668305593E-03 1.04004428205E-03 -4.61116514135E-04 -1.45889255202E-04
|
|
8.8730780E+04 2.12687519150E-02 -8.82661640971E-03 4.27751579872E-03 2.15737330322E-03 -9.55938539762E-04 -3.02491757719E-04
|
|
3.6848078E+04 4.31762253494E-02 -1.83267060401E-02 8.92822898119E-03 4.49739482043E-03 -1.99527300496E-03 -6.31281935126E-04
|
|
1.5843298E+04 8.57902103699E-02 -3.75437689989E-02 1.83474907181E-02 9.28098759673E-03 -4.11317004941E-03 -1.30176100385E-03
|
|
7.0310514E+03 1.59579701329E-01 -7.37249986359E-02 3.64826863251E-02 1.84250347920E-02 -8.18578042791E-03 -2.59007756872E-03
|
|
3.2121888E+03 2.56261438835E-01 -1.29740708829E-01 6.50410125897E-02 3.31785099302E-02 -1.47164607850E-02 -4.65963826442E-03
|
|
1.5070783E+03 3.03327735156E-01 -1.78960715256E-01 9.31029650651E-02 4.73955950522E-02 -2.11551005228E-02 -6.69511194041E-03
|
|
7.2301062E+02 2.01756113080E-01 -1.04332514846E-01 5.11261551902E-02 2.66530897295E-02 -1.16942543665E-02 -3.70968534805E-03
|
|
3.3980515E+02 4.42533799691E-02 2.50822448118E-01 -1.93294452109E-01 -1.11512488373E-01 5.05242275941E-02 1.60925825282E-02
|
|
1.7093901E+02 -1.72093959953E-03 5.55807536573E-01 -5.60420692568E-01 -3.33901008822E-01 1.55734562514E-01 4.96317805920E-02
|
|
8.8017323E+01 1.46869541215E-03 3.17648868125E-01 -3.14060795268E-01 -2.15521158412E-01 1.01009188353E-01 3.24845660960E-02
|
|
4.3016225E+01 -8.74802705528E-04 3.69995869020E-02 6.87142119131E-01 7.37537703728E-01 -3.89377374295E-01 -1.27564051687E-01
|
|
2.2609863E+01 4.67748137289E-04 -2.11986262857E-03 6.46548772681E-01 8.27117797626E-01 -4.78171752908E-01 -1.58477413359E-01
|
|
1.0266569E+01 -2.28670850204E-04 6.65039393783E-04 8.23702576224E-02 -7.17453287678E-01 6.15443994700E-01 2.17949385815E-01
|
|
5.2648225E+00 1.15024350291E-04 -4.00637417298E-04 -6.50819621942E-03 -8.17259301756E-01 9.17904240144E-01 3.56653913935E-01
|
|
1.8988944E+00 -4.12235168942E-05 1.33034584185E-04 1.89295736260E-03 -6.02290556352E-02 -8.15870273690E-01 -4.57364530166E-01
|
|
8.8461372E-01 1.76742516231E-05 -5.05942882568E-05 -8.47768897638E-04 8.94930032842E-03 -6.73533725039E-01 -4.48677435726E-01
|
|
2.0106574E-01 -4.26572745210E-06 1.27624774945E-05 1.80966934337E-04 -1.74721155429E-03 -2.64166289143E-02 6.82995372688E-01
|
|
7.3237091E-02 1.60888208031E-06 -4.81075411409E-06 -6.79352630871E-05 6.25830897072E-04 5.48647190983E-03 5.58198492199E-01
|
|
Tl s
|
|
7.3237091E-02 9.99998537521E-01
|
|
Tl s
|
|
1.9127759E-02 9.99999618034E-01
|
|
Tl p
|
|
1.3728265E+07 3.19812994909E-05 -1.64989374439E-05 8.25279771615E-06 -3.40202823948E-06 7.41531713803E-07
|
|
2.3572128E+06 1.05368834428E-04 -5.43930088228E-05 2.72202840830E-05 -1.12175779966E-05 2.44498511358E-06
|
|
5.2356678E+05 3.01744671035E-04 -1.55993141783E-04 7.80443562882E-05 -3.21851300989E-05 7.01566165074E-06
|
|
1.3629076E+05 8.41857856532E-04 -4.36613212281E-04 2.18848403539E-04 -9.01643613182E-05 1.96517513564E-05
|
|
4.0148089E+04 2.46434070889E-03 -1.28571497232E-03 6.44174412771E-04 -2.65988251844E-04 5.79887345062E-05
|
|
1.3182021E+04 7.76835225645E-03 -4.09072493644E-03 2.05960521162E-03 -8.48496073977E-04 1.84935965606E-04
|
|
4.7879862E+03 2.51854981098E-02 -1.34472931846E-02 6.76928575396E-03 -2.80095260446E-03 6.10806642027E-04
|
|
1.9028441E+03 7.63554897309E-02 -4.17621917673E-02 2.12362844591E-02 -8.76032745014E-03 1.90976166911E-03
|
|
8.1502288E+02 1.93138725406E-01 -1.09987961416E-01 5.61953233104E-02 -2.33613180313E-02 5.09761677270E-03
|
|
3.6967602E+02 3.52283461200E-01 -2.11956089966E-01 1.10766198041E-01 -4.58471187069E-02 9.99983590061E-03
|
|
1.7504377E+02 3.66670552897E-01 -1.99472023462E-01 9.81252297579E-02 -4.09889415337E-02 8.94785121067E-03
|
|
8.4456267E+01 1.49663874767E-01 1.81588569403E-01 -1.49255474913E-01 7.01530271475E-02 -1.55572197867E-02
|
|
4.2043229E+01 9.81360227133E-03 5.91954924303E-01 -5.02630086138E-01 2.28460978006E-01 -5.04791671161E-02
|
|
2.1172075E+01 1.77236684139E-03 3.34036405577E-01 -9.99057560348E-02 2.95437937625E-02 -6.00146394345E-03
|
|
1.0107599E+01 -1.02960899130E-03 3.67783355076E-02 6.82922027103E-01 -4.76000042476E-01 1.11519048899E-01
|
|
4.9031493E+00 4.23684272107E-04 4.74606698155E-05 4.75834138605E-01 -2.71946242788E-01 6.13558618488E-02
|
|
1.9632888E+00 -1.63064528174E-04 7.36804502358E-05 4.10814371872E-02 6.75515839578E-01 -2.04441647597E-01
|
|
8.0549699E-01 6.47036111101E-05 -7.13434070488E-05 -2.47924230306E-03 5.36395041487E-01 -1.60542223899E-01
|
|
2.0049629E-01 -1.59316804783E-05 7.12227899989E-06 5.67719288950E-04 3.72155211860E-02 4.02280442371E-01
|
|
5.5927884E-02 5.12204462847E-06 -2.27086972923E-06 -1.82859515455E-04 -4.74348020916E-03 7.38321245638E-01
|
|
Tl p
|
|
5.5927884E-02 9.99998138622E-01
|
|
Tl p
|
|
1.1431281E-02 9.99999619544E-01
|
|
Tl d
|
|
7.8021591E+03 4.90628885157E-04 -2.56921413583E-04 8.39798331251E-05
|
|
2.0396979E+03 4.12824301099E-03 -2.18437400895E-03 7.20521676829E-04
|
|
7.3049097E+02 2.33912168781E-02 -1.24249870355E-02 4.07274712214E-03
|
|
3.0516736E+02 9.13834857185E-02 -4.96154406780E-02 1.64437329150E-02
|
|
1.3964975E+02 2.42473396388E-01 -1.33037255985E-01 4.38227980914E-02
|
|
6.7292643E+01 3.98909367420E-01 -2.13055204636E-01 7.07212494098E-02
|
|
3.3520599E+01 3.37264616873E-01 -8.58470477815E-02 1.86012670490E-02
|
|
1.6568385E+01 1.07865185340E-01 3.26036143733E-01 -1.35905788109E-01
|
|
8.0815299E+00 6.92808776283E-03 5.32757816812E-01 -2.24407434332E-01
|
|
3.8806549E+00 1.04872975299E-03 2.58736220446E-01 2.48181346137E-02
|
|
1.6956350E+00 -2.90959166418E-04 2.81710600402E-02 4.46708520682E-01
|
|
6.9524060E-01 1.44137750313E-04 -3.49827754754E-04 5.04649648926E-01
|
|
2.5357650E-01 -9.17302558811E-05 3.43050206094E-04 2.01943885916E-01
|
|
1.5026778E-01 4.80013259279E-05 -1.68336131803E-04 7.04693534761E-03
|
|
Tl d
|
|
1.5026778E-01 9.99992998551E-01
|
|
Tl d
|
|
4.1035648E-02 9.99998087966E-01
|
|
Tl f
|
|
4.8999559E+02 2.00058897322E-03
|
|
1.6633197E+02 1.70857408863E-02
|
|
6.9980085E+01 7.49003154115E-02
|
|
3.2175090E+01 2.04556362162E-01
|
|
1.5417577E+01 3.46655802566E-01
|
|
7.3699578E+00 3.78138078055E-01
|
|
3.4086613E+00 2.39885310388E-01
|
|
1.4138469E+00 6.47900012966E-02
|
|
end
|
|
basis "Pb_dyall_relapvdz_fi_sf_lc" SPHERICAL
|
|
Pb s
|
|
5.7879047E+07 2.48942575447E-04 -9.80993661737E-05 4.72099579003E-05 2.38142285075E-05 -1.06827341188E-05 -3.58882348763E-06
|
|
1.4727786E+07 6.14387400786E-04 -2.43121342470E-04 1.17103684470E-04 5.90654170776E-05 -2.65001639909E-05 -8.90247826636E-06
|
|
4.6698079E+06 1.31734286233E-03 -5.23840540873E-04 2.52446185469E-04 1.27405329642E-04 -5.71539240339E-05 -1.92012116009E-05
|
|
1.6059372E+06 2.65963034400E-03 -1.06608856845E-03 5.14642770144E-04 2.59668806332E-04 -1.16526071004E-04 -3.91461588450E-05
|
|
5.8984778E+05 5.34528010778E-03 -2.16398637919E-03 1.04571822092E-03 5.28247967011E-04 -2.36989111051E-04 -7.96222565683E-05
|
|
2.2691267E+05 1.07176396502E-02 -4.39959613612E-03 2.13251969294E-03 1.07666646895E-03 -4.83332810059E-04 -1.62374910054E-04
|
|
9.1063105E+04 2.16264977571E-02 -9.02395429524E-03 4.38067575815E-03 2.21646814964E-03 -9.94482817897E-04 -3.34152360492E-04
|
|
3.7920869E+04 4.35737975374E-02 -1.85982174254E-02 9.07615561768E-03 4.58698151013E-03 -2.06048958186E-03 -6.92232965454E-04
|
|
1.6339134E+04 8.59992167399E-02 -3.78453967077E-02 1.85276940275E-02 9.40203169472E-03 -4.21939064243E-03 -1.41798627685E-03
|
|
7.2625289E+03 1.59124630693E-01 -7.38765039459E-02 3.66186204522E-02 1.85552936653E-02 -8.34663821925E-03 -2.80431179658E-03
|
|
3.3216985E+03 2.54766176635E-01 -1.29410927710E-01 6.49719051637E-02 3.32454280393E-02 -1.49329990565E-02 -5.02079779851E-03
|
|
1.5596475E+03 3.01838948739E-01 -1.77881470981E-01 9.26063383753E-02 4.72959035897E-02 -2.13716100501E-02 -7.18192356517E-03
|
|
7.4863789E+02 2.02192772619E-01 -1.03777010957E-01 5.07024286782E-02 2.64610064300E-02 -1.17599757627E-02 -3.96161731814E-03
|
|
3.5261328E+02 4.51882683451E-02 2.47673289007E-01 -1.91451270448E-01 -1.10815470759E-01 5.08829929280E-02 1.72155041111E-02
|
|
1.7750467E+02 -1.61929771968E-03 5.53528290116E-01 -5.57458688771E-01 -3.33358764151E-01 1.57437076040E-01 5.32961025564E-02
|
|
9.1463274E+01 1.46520642159E-03 3.20905000693E-01 -3.19315014110E-01 -2.19093587705E-01 1.04165033858E-01 3.55963315272E-02
|
|
4.4710172E+01 -8.77129775760E-04 3.82533457449E-02 6.79913449780E-01 7.31781188230E-01 -3.92079666133E-01 -1.36626153876E-01
|
|
2.3527288E+01 4.73505185321E-04 -2.25908460574E-03 6.51997706743E-01 8.38660000435E-01 -4.91668495538E-01 -1.73443333555E-01
|
|
1.0721457E+01 -2.35624804475E-04 7.35480713425E-04 8.50320047806E-02 -7.05662805832E-01 6.15629618311E-01 2.32708498608E-01
|
|
5.5271506E+00 1.20695577409E-04 -4.39295407714E-04 -6.83309153552E-03 -8.28193108734E-01 9.47520558043E-01 3.94211746404E-01
|
|
2.0274627E+00 -4.47484194080E-05 1.50958980053E-04 2.03702966320E-03 -6.40617339016E-02 -8.05366875278E-01 -4.88158538558E-01
|
|
9.6204098E-01 1.96555286965E-05 -5.93263340885E-05 -9.29436216112E-04 9.59118594433E-03 -6.95331444302E-01 -5.00871264586E-01
|
|
2.3294403E-01 -4.85737957444E-06 1.51924298582E-05 2.04068190687E-04 -1.88510331591E-03 -2.82444958673E-02 7.28423084393E-01
|
|
8.6859886E-02 1.79465957551E-06 -5.63614927691E-06 -7.44870199362E-05 6.63087329298E-04 5.54592445013E-03 5.42093363519E-01
|
|
Pb s
|
|
8.6859886E-02 9.99998265489E-01
|
|
Pb s
|
|
2.5041970E-02 9.99999499932E-01
|
|
Pb p
|
|
1.4431585E+07 3.21825985928E-05 -1.66412182293E-05 8.35800646976E-06 -3.50699871887E-06 8.77267648855E-07
|
|
2.5074331E+06 1.05840531948E-04 -5.47610909407E-05 2.75169661087E-05 -1.15427108573E-05 2.88777364379E-06
|
|
5.6044425E+05 3.01355672787E-04 -1.56151672877E-04 7.84423944464E-05 -3.29270574462E-05 8.23584695010E-06
|
|
1.4637279E+05 8.34084520377E-04 -4.33514460446E-04 2.18185762809E-04 -9.15023892801E-05 2.28975335672E-05
|
|
4.3157909E+04 2.41480153332E-03 -1.26268290261E-03 6.35189202390E-04 -2.66951901341E-04 6.67566226779E-05
|
|
1.4152440E+04 7.52781699367E-03 -3.97178722473E-03 2.00795530477E-03 -8.42078196497E-04 2.10818941910E-04
|
|
5.1258744E+03 2.42443461167E-02 -1.29716837433E-02 6.55571969618E-03 -2.76088524558E-03 6.90321258367E-04
|
|
2.0302193E+03 7.35261230257E-02 -4.02607200913E-02 2.05549857278E-02 -8.63171583563E-03 2.16231472730E-03
|
|
8.6682091E+02 1.87347750079E-01 -1.06766568396E-01 5.47463399895E-02 -2.31624630856E-02 5.79226734218E-03
|
|
3.9214842E+02 3.47093270149E-01 -2.08729655047E-01 1.09487383826E-01 -4.61396984253E-02 1.15784154969E-02
|
|
1.8535635E+02 3.71068679200E-01 -2.05809479104E-01 1.02367670634E-01 -4.35370973674E-02 1.08334256786E-02
|
|
8.9519283E+01 1.58420389308E-01 1.61712211093E-01 -1.35875923466E-01 6.53330994987E-02 -1.64611165700E-02
|
|
4.4485764E+01 1.19799366618E-02 5.87870382792E-01 -5.00977783545E-01 2.32261843018E-01 -5.94429676686E-02
|
|
2.2422844E+01 1.65665392310E-03 3.50470464502E-01 -1.27426921955E-01 4.44203238407E-02 -9.73462930504E-03
|
|
1.0675176E+01 -9.75353661752E-04 4.14403741207E-02 6.74482027152E-01 -4.80707581485E-01 1.28110282686E-01
|
|
5.1917731E+00 4.05013670796E-04 -3.41049914184E-04 4.91844920824E-01 -2.93614552986E-01 7.99634716103E-02
|
|
2.0908307E+00 -1.59156177032E-04 2.04697563836E-04 4.44818252190E-02 6.78072178010E-01 -2.47757018215E-01
|
|
8.7171799E-01 6.44701483782E-05 -1.21716953066E-04 -2.81716626768E-03 5.41511772123E-01 -1.75968006135E-01
|
|
2.1674529E-01 -1.61930588610E-05 2.01919137285E-05 6.34354387914E-04 3.56900801385E-02 5.00591075158E-01
|
|
6.5825419E-02 5.53521588477E-06 -6.60057091621E-06 -2.21752058981E-04 -4.95785643867E-03 6.48032592392E-01
|
|
Pb p
|
|
6.5825419E-02 9.99997809218E-01
|
|
Pb p
|
|
1.6728072E-02 9.99999443256E-01
|
|
Pb d
|
|
8.4906900E+03 4.53006795329E-04 -2.38864384737E-04 8.16867605877E-05
|
|
2.2089035E+03 3.78650623026E-03 -2.01584911101E-03 6.95711351432E-04
|
|
7.8849257E+02 2.15602701698E-02 -1.15273737345E-02 3.95301332068E-03
|
|
3.2885432E+02 8.52585285709E-02 -4.65359301723E-02 1.61359271945E-02
|
|
1.5038962E+02 2.30920066237E-01 -1.27594043729E-01 4.39841460634E-02
|
|
7.2513235E+01 3.91819932155E-01 -2.11772744971E-01 7.36250101832E-02
|
|
3.6180561E+01 3.48756338932E-01 -1.04944654172E-01 2.69714153662E-02
|
|
1.7976202E+01 1.20704762933E-01 2.97950586210E-01 -1.31735520428E-01
|
|
8.8200864E+00 9.16887020488E-03 5.35066801934E-01 -2.37985150850E-01
|
|
4.2720364E+00 1.07924774751E-03 2.82252254757E-01 5.51765106849E-04
|
|
1.8890617E+00 -2.90415157354E-04 3.48274077194E-02 4.45618364071E-01
|
|
7.9200114E-01 1.49950782635E-04 -6.84537847791E-04 5.15637503583E-01
|
|
2.9683292E-01 -9.44773442877E-05 5.65863691353E-04 1.94517706212E-01
|
|
1.7545993E-01 4.85285845575E-05 -2.85439176054E-04 6.10774314131E-03
|
|
Pb d
|
|
1.7545993E-01 9.99991824822E-01
|
|
Pb d
|
|
5.5772624E-02 9.99997401315E-01
|
|
Pb f
|
|
5.2013845E+02 1.90333225219E-03
|
|
1.7651009E+02 1.63650904369E-02
|
|
7.4343014E+01 7.25511966481E-02
|
|
3.4240742E+01 2.00547435035E-01
|
|
1.6461026E+01 3.44585881148E-01
|
|
7.9077033E+00 3.79961923300E-01
|
|
3.6843352E+00 2.42073009270E-01
|
|
1.5478311E+00 6.47035708395E-02
|
|
end
|
|
basis "Bi_dyall_relapvdz_fi_sf_lc" SPHERICAL
|
|
Bi s
|
|
5.8022684E+07 2.63859602871E-04 -1.04485677051E-04 5.03614069698E-05 2.54837517399E-05 -1.15710093821E-05 -4.06997019737E-06
|
|
1.4819799E+07 6.47568765950E-04 -2.57515089790E-04 1.24229935614E-04 6.28577015565E-05 -2.85451745997E-05 -1.00402281656E-05
|
|
4.7223874E+06 1.37863517551E-03 -5.50942994712E-04 2.65925169980E-04 1.34629841116E-04 -6.11313978907E-05 -2.15029872544E-05
|
|
1.6321833E+06 2.76224538918E-03 -1.11279310665E-03 5.38038279486E-04 2.72334379349E-04 -1.23698444439E-04 -4.35088944966E-05
|
|
6.0232740E+05 5.51055557486E-03 -2.24232993518E-03 1.08532101718E-03 5.49977930988E-04 -2.49749587956E-04 -8.78547958333E-05
|
|
2.3262600E+05 1.09645365038E-02 -4.52449417113E-03 2.19661850766E-03 1.11257577934E-03 -5.05535859154E-04 -1.77816077367E-04
|
|
9.3657019E+04 2.19557775954E-02 -9.21109357947E-03 4.47902190274E-03 2.27336219597E-03 -1.03247968525E-03 -3.63235506332E-04
|
|
3.9098920E+04 4.39119632687E-02 -1.88460908638E-02 9.21261018881E-03 4.67102817436E-03 -2.12378629924E-03 -7.47027047061E-04
|
|
1.6878840E+04 8.61000626618E-02 -3.80990087682E-02 1.86839161241E-02 9.51106807954E-03 -4.32062145276E-03 -1.52032579672E-03
|
|
7.5127674E+03 1.58513523993E-01 -7.39462270218E-02 3.67120753616E-02 1.86634235331E-02 -8.49732944147E-03 -2.98906394552E-03
|
|
3.4393803E+03 2.53142597597E-01 -1.28984423848E-01 6.48478319837E-02 3.32823227312E-02 -1.51333273174E-02 -5.32779553436E-03
|
|
1.6158149E+03 3.00417977335E-01 -1.76796032924E-01 9.20956191514E-02 4.71839364996E-02 -2.15778363568E-02 -7.59143559188E-03
|
|
7.7585154E+02 2.02899611603E-01 -1.03484631655E-01 5.04255908421E-02 2.63446932705E-02 -1.18539665450E-02 -4.18293377744E-03
|
|
3.6612190E+02 4.62738152536E-02 2.44111099761E-01 -1.89252670918E-01 -1.09903598356E-01 5.11181454907E-02 1.81187606122E-02
|
|
1.8440048E+02 -1.51629306377E-03 5.51252997879E-01 -5.54341676503E-01 -3.32655990756E-01 1.59035362876E-01 5.63768273371E-02
|
|
9.5065117E+01 1.46763508312E-03 3.24485075635E-01 -3.24966594122E-01 -2.22954149058E-01 1.07457026147E-01 3.84936429348E-02
|
|
4.6466268E+01 -8.83179457775E-04 3.96017155142E-02 6.72390168741E-01 7.25663988777E-01 -3.94367685981E-01 -1.44164026877E-01
|
|
2.4477290E+01 4.81563042214E-04 -2.41337533457E-03 6.57603461898E-01 8.50232510263E-01 -5.05397452859E-01 -1.87018071601E-01
|
|
1.1190161E+01 -2.43786937849E-04 8.13263220771E-04 8.77533334380E-02 -6.94015368277E-01 6.15907418872E-01 2.44816578264E-01
|
|
5.7978488E+00 1.27022623023E-04 -4.82078937965E-04 -7.17387138737E-03 -8.38806415448E-01 9.76538306518E-01 4.28998539553E-01
|
|
2.1587077E+00 -4.85871809109E-05 1.71041575239E-04 2.18575030372E-03 -6.78679218139E-02 -7.97034131908E-01 -5.15096846638E-01
|
|
1.0422614E+00 2.18094634252E-05 -6.92255799697E-05 -1.01384420849E-03 1.02516983110E-02 -7.14872224973E-01 -5.46819145070E-01
|
|
2.6590866E-01 -5.46122372411E-06 1.78130789134E-05 2.26767622444E-04 -2.00620671034E-03 -2.98869457831E-02 7.62695120397E-01
|
|
1.0073440E-01 1.97333772685E-06 -6.49381224179E-06 -8.02772147256E-05 6.92933138130E-04 5.52999973082E-03 5.34608635120E-01
|
|
Bi s
|
|
1.0073440E-01 9.99997988431E-01
|
|
Bi s
|
|
3.0028180E-02 9.99999400361E-01
|
|
Bi p
|
|
1.5267851E+07 3.21896229633E-05 -1.66829108110E-05 8.41272311973E-06 -3.59066501009E-06 9.88637491368E-07
|
|
2.6863694E+06 1.05663327266E-04 -5.47919122182E-05 2.76438605625E-05 -1.17955883601E-05 3.24830255210E-06
|
|
6.0456060E+05 2.98986689491E-04 -1.55276639548E-04 7.83163701489E-05 -3.34386602054E-05 9.20574666891E-06
|
|
1.5848335E+05 8.20423704651E-04 -4.27303241613E-04 2.15927152990E-04 -9.21181671065E-05 2.53748707073E-05
|
|
4.6785870E+04 2.34689907968E-03 -1.22983949682E-03 6.21121999587E-04 -2.65506006762E-04 7.30737603239E-05
|
|
1.5325077E+04 7.22608364542E-03 -3.81941306067E-03 1.93871566057E-03 -8.27124100769E-04 2.27967355029E-04
|
|
5.5345524E+03 2.30958299976E-02 -1.23812594547E-02 6.28150657059E-03 -2.69055375708E-03 7.40347475345E-04
|
|
2.1842431E+03 7.00662022873E-02 -3.83970219358E-02 1.96798336884E-02 -8.40754928915E-03 2.31888972354E-03
|
|
9.2942393E+02 1.80087525507E-01 -1.02662084736E-01 5.28226731309E-02 -2.27271898028E-02 6.25413340602E-03
|
|
4.1932007E+02 3.40038831599E-01 -2.04240937874E-01 1.07506915867E-01 -4.61000738175E-02 1.27401039955E-02
|
|
1.9785121E+02 3.75890445768E-01 -2.13029213486E-01 1.07227165020E-01 -4.63923831568E-02 1.26982063428E-02
|
|
9.5696786E+01 1.70007343819E-01 1.35836432165E-01 -1.18211447152E-01 5.82298934083E-02 -1.61193224132E-02
|
|
4.7435630E+01 1.52124900978E-02 5.80584053708E-01 -4.96045478813E-01 2.34477005094E-01 -6.62305350220E-02
|
|
2.3929631E+01 1.45917531701E-03 3.72354412007E-01 -1.63804415767E-01 6.44432976673E-02 -1.61719204821E-02
|
|
1.1351604E+01 -8.74317771416E-04 4.81826150384E-02 6.59561433671E-01 -4.79645370251E-01 1.40969096686E-01
|
|
5.5346123E+00 3.64747109737E-04 -8.80744511235E-04 5.14718253283E-01 -3.23775301891E-01 9.86009174098E-02
|
|
2.2410872E+00 -1.48632029995E-04 4.10541383535E-04 4.98645354460E-02 6.71872579047E-01 -2.77786926015E-01
|
|
9.5317500E-01 6.29171900128E-05 -2.03278484770E-04 -3.42281061352E-03 5.53532391607E-01 -1.99148811811E-01
|
|
2.4829310E-01 -1.62517561557E-05 4.19764288344E-05 7.71776251124E-04 3.72927218423E-02 5.47202222867E-01
|
|
7.7915822E-02 5.51873779826E-06 -1.36267247584E-05 -2.72576827116E-04 -4.75213773048E-03 6.10692968335E-01
|
|
Bi p
|
|
7.7915822E-02 9.99997406835E-01
|
|
Bi p
|
|
2.1317209E-02 9.99999290521E-01
|
|
Bi d
|
|
9.1556731E+03 4.25065019161E-04 -2.25647817055E-04 8.02576611055E-05
|
|
2.3714380E+03 3.52953077164E-03 -1.89043687852E-03 6.78469849511E-04
|
|
8.4391026E+02 2.01663328481E-02 -1.08519774237E-02 3.87032099474E-03
|
|
3.5138597E+02 8.05287226246E-02 -4.41925467607E-02 1.59344833322E-02
|
|
1.6056662E+02 2.21731265758E-01 -1.23348215745E-01 4.42340708388E-02
|
|
7.7448462E+01 3.85572885206E-01 -2.10508360037E-01 7.61559129282E-02
|
|
3.8688714E+01 3.57256547390E-01 -1.19354119215E-01 3.39485863658E-02
|
|
1.9301217E+01 1.31502904168E-01 2.75365094398E-01 -1.28418667546E-01
|
|
9.5137428E+00 1.13355790226E-02 5.35635046364E-01 -2.49534523904E-01
|
|
4.6382853E+00 1.08635550176E-03 3.00566698343E-01 -1.89629406772E-02
|
|
2.0735526E+00 -2.80933679871E-04 4.04980445264E-02 4.46001626156E-01
|
|
8.8573771E-01 1.50655227273E-04 -9.15916445334E-04 5.23969519617E-01
|
|
3.3861777E-01 -9.55709959478E-05 7.29244479019E-04 1.87622754917E-01
|
|
2.0223207E-01 4.90960751792E-05 -3.76447017739E-04 5.42696767346E-03
|
|
Bi d
|
|
2.0223207E-01 9.99990577497E-01
|
|
Bi d
|
|
6.9683454E-02 9.99996753162E-01
|
|
Bi f
|
|
5.5102305E+02 1.81617573701E-03
|
|
1.8692436E+02 1.57116961940E-02
|
|
7.8801541E+01 7.03962095946E-02
|
|
3.6351986E+01 1.96800869453E-01
|
|
1.7527887E+01 3.42580697153E-01
|
|
8.4583618E+00 3.81638469486E-01
|
|
3.9675228E+00 2.44188147977E-01
|
|
1.6865442E+00 6.46408046498E-02
|
|
end
|
|
basis "Po_dyall_relapvdz_fi_sf_lc" SPHERICAL
|
|
Po s
|
|
5.8309927E+07 2.79267785740E-04 -1.11132407827E-04 5.36465038869E-05 2.72299092021E-05 -1.25092374733E-05 -4.56512321553E-06
|
|
1.4943068E+07 6.81755491225E-04 -2.72457893620E-04 1.31638990503E-04 6.68132344260E-05 -3.06980949572E-05 -1.12026689371E-05
|
|
4.7831618E+06 1.44154278752E-03 -5.78972993164E-04 2.79885171864E-04 1.42135168767E-04 -6.52985255877E-05 -2.38309573519E-05
|
|
1.6607700E+06 2.86718066658E-03 -1.16092194378E-03 5.62176688953E-04 2.85439130207E-04 -1.31174706572E-04 -4.78698272800E-05
|
|
6.1553104E+05 5.67923491032E-03 -2.32288462490E-03 1.12608339282E-03 5.72398251125E-04 -2.62990615030E-04 -9.59860087054E-05
|
|
2.3857506E+05 1.12168230766E-02 -4.65296103325E-03 2.26257339705E-03 1.14958231682E-03 -5.28490553683E-04 -1.92864371434E-04
|
|
9.6330174E+04 2.22954595079E-02 -9.40463743557E-03 4.58065771883E-03 2.33214514460E-03 -1.07166118577E-03 -3.91180668743E-04
|
|
4.0303817E+04 4.42737167911E-02 -1.91069781040E-02 9.35552262662E-03 4.75858308118E-03 -2.18902372540E-03 -7.98853782487E-04
|
|
1.7427602E+04 8.62560243441E-02 -3.83802970765E-02 1.88536824061E-02 9.62712954717E-03 -4.42498617956E-03 -1.61557187078E-03
|
|
7.7659998E+03 1.58012276990E-01 -7.40721969037E-02 3.68324491135E-02 1.87846769444E-02 -8.65298177103E-03 -3.15791848933E-03
|
|
3.5580285E+03 2.51658930119E-01 -1.28640768918E-01 6.47640764366E-02 3.33384712911E-02 -1.53382200958E-02 -5.60320207359E-03
|
|
1.6722965E+03 2.98994685680E-01 -1.75741528788E-01 9.15970771815E-02 4.70734197921E-02 -2.17784496104E-02 -7.94853486911E-03
|
|
8.0318911E+02 2.03373010949E-01 -1.02899498588E-01 4.99727568346E-02 2.61342617455E-02 -1.18966095646E-02 -4.35836835468E-03
|
|
3.7969490E+02 4.72343727140E-02 2.41288296041E-01 -1.87653676807E-01 -1.09334529829E-01 5.14847877906E-02 1.89467408530E-02
|
|
1.9131746E+02 -1.40803908878E-03 5.49074993542E-01 -5.51566381045E-01 -3.32154653637E-01 1.60700918997E-01 5.91090591090E-02
|
|
9.8676878E+01 1.46532107773E-03 3.27331765980E-01 -3.29359814633E-01 -2.26031081349E-01 1.10341334241E-01 4.10687729937E-02
|
|
4.8245567E+01 -8.86597503371E-04 4.07634007381E-02 6.65700887028E-01 7.20647819657E-01 -3.97026291727E-01 -1.50892750697E-01
|
|
2.5440911E+01 4.87812272965E-04 -2.53677189209E-03 6.62340289164E-01 8.60435376130E-01 -5.18522704116E-01 -1.99394778242E-01
|
|
1.1667246E+01 -2.50920658543E-04 8.79682451229E-04 9.02603506200E-02 -6.83625662040E-01 6.17261703158E-01 2.55533323650E-01
|
|
6.0742840E+00 1.32817790432E-04 -5.20154280440E-04 -7.49507198988E-03 -8.48283211665E-01 1.00411240630E+00 4.61523342906E-01
|
|
2.2923081E+00 -5.22638675282E-05 1.90028387594E-04 2.32806274229E-03 -7.14939611320E-02 -7.91260760347E-01 -5.40120841816E-01
|
|
1.1247044E+00 2.39079403234E-05 -7.87980051728E-05 -1.09581727584E-03 1.08936758153E-02 -7.31932820636E-01 -5.87625047895E-01
|
|
2.9979416E-01 -6.02840554097E-06 2.02682205627E-05 2.48227481742E-04 -2.10959853932E-03 -3.13311383808E-02 7.91173020928E-01
|
|
1.1492650E-01 2.13125554030E-06 -7.26488404057E-06 -8.52076580296E-05 7.16747673653E-04 5.46383323762E-03 5.30857441148E-01
|
|
Po s
|
|
1.1492650E-01 9.99997705032E-01
|
|
Po s
|
|
3.4735952E-02 9.99999306351E-01
|
|
Po p
|
|
1.6094731E+07 3.23041512760E-05 -1.67800484069E-05 8.49530632007E-06 -3.68533425982E-06 1.09036303302E-06
|
|
2.8651675E+06 1.05863227118E-04 -5.50173698527E-05 2.78680953157E-05 -1.20862973290E-05 3.57659401524E-06
|
|
6.4891394E+05 2.97851544418E-04 -1.55034458591E-04 7.85043354863E-05 -3.40675944208E-05 1.00781362251E-05
|
|
1.7070019E+05 8.10940398762E-04 -4.23246931723E-04 2.14724817594E-04 -9.31105470066E-05 2.75616111167E-05
|
|
5.0450487E+04 2.29452617903E-03 -1.20497632361E-03 6.10958726489E-04 -2.65424835338E-04 7.84959958827E-05
|
|
1.6508642E+04 6.98327343532E-03 -3.69787730387E-03 1.88444639196E-03 -8.17219188641E-04 2.42051373647E-04
|
|
5.9457148E+03 2.21517991029E-02 -1.18986414757E-02 6.05996893251E-03 -2.63797319407E-03 7.79954393333E-04
|
|
2.3384165E+03 6.71774693274E-02 -3.68517970132E-02 1.89602824060E-02 -8.23375208991E-03 2.44062009383E-03
|
|
9.9171977E+02 1.73905748821E-01 -9.91934821973E-02 5.12172252826E-02 -2.23936730151E-02 6.62129648570E-03
|
|
4.4620759E+02 3.33712167643E-01 -2.00272732312E-01 1.05778853628E-01 -4.61133464187E-02 1.36974101521E-02
|
|
2.1014718E+02 3.79553597963E-01 -2.18545280721E-01 1.11069912868E-01 -4.88494820915E-02 1.43686473445E-02
|
|
1.0171539E+02 1.80241386623E-01 1.14309869277E-01 -1.03731692199E-01 5.23754224019E-02 -1.55703630197E-02
|
|
5.0283133E+01 1.82961062446E-02 5.73322034368E-01 -4.91154494286E-01 2.36419074438E-01 -7.18830990688E-02
|
|
2.5367947E+01 1.27087706532E-03 3.90529168767E-01 -1.93202600429E-01 8.13379471068E-02 -2.24221999080E-02
|
|
1.2001454E+01 -7.75422902041E-04 5.41497825609E-02 6.46221627982E-01 -4.79850611486E-01 1.52049815330E-01
|
|
5.8677985E+00 3.24393141572E-04 -1.36245227664E-03 5.33053220922E-01 -3.49226332673E-01 1.15430656751E-01
|
|
2.3899504E+00 -1.37218563009E-04 6.04150267695E-04 5.46772602883E-02 6.67695426188E-01 -3.03721391477E-01
|
|
1.0360252E+00 6.07046324389E-05 -2.84448492169E-04 -4.00562836031E-03 5.62560789039E-01 -2.19636998125E-01
|
|
2.8231375E-01 -1.60137752059E-05 6.45494899754E-05 9.01905706663E-04 3.88639459512E-02 5.79572433849E-01
|
|
9.0411358E-02 5.33508411849E-06 -2.05423995928E-05 -3.18732961699E-04 -4.40796005912E-03 5.87593088665E-01
|
|
Po p
|
|
9.0411358E-02 9.99996990970E-01
|
|
Po p
|
|
2.5607296E-02 9.99999147739E-01
|
|
Po d
|
|
9.8151605E+03 4.02934302810E-04 -2.15310467979E-04 7.92772141126E-05
|
|
2.5318633E+03 3.32363591792E-03 -1.79079481688E-03 6.65200350962E-04
|
|
8.9834951E+02 1.90373402641E-02 -1.03097291790E-02 3.80628890680E-03
|
|
3.7343320E+02 7.66507777747E-02 -4.22933794962E-02 1.57831879169E-02
|
|
1.7049312E+02 2.14012712701E-01 -1.19833933720E-01 4.44964084564E-02
|
|
8.2252380E+01 3.79913908092E-01 -2.09299155338E-01 7.84055194816E-02
|
|
4.1125487E+01 3.63928289950E-01 -1.30950380459E-01 4.00536513326E-02
|
|
2.0586094E+01 1.40970522887E-01 2.56272207843E-01 -1.25506616164E-01
|
|
1.0185372E+01 1.34463787761E-02 5.35304906852E-01 -2.59748472782E-01
|
|
4.9924674E+00 1.08174696010E-03 3.15614122488E-01 -3.56025381371E-02
|
|
2.2540529E+00 -2.65735214443E-04 4.54857981795E-02 4.47270887843E-01
|
|
9.7833425E-01 1.47629419088E-04 -1.08238991601E-03 5.30626069296E-01
|
|
3.7974903E-01 -9.44453612964E-05 8.52677530214E-04 1.81412531452E-01
|
|
2.2948325E-01 4.88126342430E-05 -4.50102182167E-04 4.92670345410E-03
|
|
Po d
|
|
2.2948325E-01 9.99989307870E-01
|
|
Po d
|
|
9.0407004E-02 9.99995787589E-01
|
|
Po f
|
|
5.8261287E+02 1.73801580245E-03
|
|
1.9756108E+02 1.51195170312E-02
|
|
8.3349358E+01 6.84219141787E-02
|
|
3.8505687E+01 1.93312430095E-01
|
|
1.8616521E+01 3.40655809273E-01
|
|
9.0210323E+00 3.83181143911E-01
|
|
4.2576508E+00 2.46204458600E-01
|
|
1.8295243E+00 6.45875177465E-02
|
|
end
|
|
basis "At_dyall_relapvdz_fi_sf_lc" SPHERICAL
|
|
At s
|
|
5.8424409E+07 2.96117689009E-04 -1.18424766866E-04 5.72518665029E-05 2.91480223724E-05 -1.35415425886E-05 -5.09449964229E-06
|
|
1.5020934E+07 7.19130071608E-04 -2.88840013844E-04 1.39762687390E-04 7.11524624394E-05 -3.30607103616E-05 -1.24374485439E-05
|
|
4.8296548E+06 1.51017338463E-03 -6.09618971245E-04 2.95145812299E-04 1.50339802343E-04 -6.98476572441E-05 -2.62786965843E-05
|
|
1.6847653E+06 2.98144506490E-03 -1.21339403568E-03 5.88478945139E-04 2.99707679846E-04 -1.39286359508E-04 -5.23995946384E-05
|
|
6.2725022E+05 5.86313428309E-03 -2.41064789481E-03 1.17044108978E-03 5.96753150900E-04 -2.77278067971E-04 -1.04327955240E-04
|
|
2.4404234E+05 1.14938459430E-02 -4.79335855736E-03 2.33448311162E-03 1.18977504429E-03 -5.53142896667E-04 -2.08092820594E-04
|
|
9.8846917E+04 2.26759444481E-02 -9.61808451508E-03 4.69220901593E-03 2.39621191038E-03 -1.11355346288E-03 -4.19039602675E-04
|
|
4.1458028E+04 4.47026572182E-02 -1.94011132148E-02 9.51496104772E-03 4.85478177757E-03 -2.25849795600E-03 -8.49642834592E-04
|
|
1.7960108E+04 8.65188172939E-02 -3.87153657121E-02 1.90500585899E-02 9.75699493235E-03 -4.53546306917E-03 -1.70715080770E-03
|
|
8.0141080E+03 1.57657227211E-01 -7.42781128339E-02 3.69924122899E-02 1.89255593168E-02 -8.81634154827E-03 -3.31675144779E-03
|
|
3.6751153E+03 2.50294209411E-01 -1.28380804874E-01 6.47219962362E-02 3.34150150424E-02 -1.55476797793E-02 -5.85584143074E-03
|
|
1.7283371E+03 2.97480790302E-01 -1.74673503361E-01 9.10894027766E-02 4.69529342783E-02 -2.19670321371E-02 -8.26372703698E-03
|
|
8.3043748E+02 2.03535269234E-01 -1.01957770084E-01 4.93050179151E-02 2.58086487015E-02 -1.18759810847E-02 -4.48853970457E-03
|
|
3.9327607E+02 4.80482669017E-02 2.39206287306E-01 -1.86652989571E-01 -1.09111700317E-01 5.19882574363E-02 1.97373908573E-02
|
|
1.9824109E+02 -1.29584827691E-03 5.46961865418E-01 -5.49096971488E-01 -3.31831798253E-01 1.62416312732E-01 6.15864467373E-02
|
|
1.0229702E+02 1.45810721895E-03 3.29466808937E-01 -3.32552231440E-01 -2.28353247270E-01 1.12814011839E-01 4.33510641128E-02
|
|
5.0047987E+01 -8.87149836456E-04 4.17450136623E-02 6.59810790592E-01 7.16674317348E-01 -4.00031028804E-01 -1.57056797907E-01
|
|
2.6418236E+01 4.92057839145E-04 -2.63122836506E-03 6.66271884957E-01 8.69360046408E-01 -5.31020540160E-01 -2.10812047157E-01
|
|
1.2152600E+01 -2.56859958251E-04 9.34895642808E-04 9.25510941466E-02 -6.74466661071E-01 6.19664480424E-01 2.65368547420E-01
|
|
6.3563670E+00 1.37953833464E-04 -5.53259916931E-04 -7.79597770996E-03 -8.56691789216E-01 1.03018626682E+00 4.92141018869E-01
|
|
2.4279895E+00 -5.56981063235E-05 2.07603115595E-04 2.46292217458E-03 -7.49216283528E-02 -7.88012400542E-01 -5.64224010750E-01
|
|
1.2090939E+00 2.59095300023E-05 -8.78592893887E-05 -1.17485510947E-03 1.15220061429E-02 -7.46511136259E-01 -6.23911533128E-01
|
|
3.3458672E-01 -6.55290253536E-06 2.25168948146E-05 2.68554267535E-04 -2.20016692084E-03 -3.25904110914E-02 8.16050003798E-01
|
|
1.2947162E-01 2.26878035412E-06 -7.94432043094E-06 -8.94259380046E-05 7.36813646806E-04 5.36275925849E-03 5.28957510919E-01
|
|
At s
|
|
1.2947162E-01 9.99997414584E-01
|
|
At s
|
|
3.9268263E-02 9.99999215845E-01
|
|
At p
|
|
1.6858098E+07 3.25718168229E-05 -1.69567883903E-05 8.61831593992E-06 -3.79678414342E-06 1.18879552582E-06
|
|
3.0353119E+06 1.06586021084E-04 -5.55148233052E-05 2.82300917233E-05 -1.24335799331E-05 3.89380768246E-06
|
|
6.9174566E+05 2.98301385883E-04 -1.55613270390E-04 7.91051818326E-05 -3.48613045780E-05 1.09138547949E-05
|
|
1.8259603E+05 8.06407397311E-04 -4.21765302068E-04 2.14806342757E-04 -9.45954534796E-05 2.96334138288E-05
|
|
5.4034684E+04 2.25922561290E-03 -1.18897189125E-03 6.05187983971E-04 -2.66992898293E-04 8.35598421896E-05
|
|
1.7667826E+04 6.80216896669E-03 -3.60885353920E-03 1.84622070633E-03 -8.13124791251E-04 2.54885096878E-04
|
|
6.3477461E+03 2.14178698802E-02 -1.15276173830E-02 5.89358018484E-03 -2.60529947040E-03 8.15157075979E-04
|
|
2.4885643E+03 6.48809245339E-02 -3.56371786655E-02 1.84049008717E-02 -8.11723825866E-03 2.54652279680E-03
|
|
1.0520744E+03 1.68895879731E-01 -9.64158343082E-02 4.99606485256E-02 -2.21816990066E-02 6.94058137589E-03
|
|
4.7211751E+02 3.28377012155E-01 -1.96993005124E-01 1.04401480158E-01 -4.62261541288E-02 1.45334524389E-02
|
|
2.2192763E+02 3.82235897994E-01 -2.22605710005E-01 1.14023672811E-01 -5.09393447345E-02 1.58591520395E-02
|
|
1.0742120E+02 1.88766737172E-01 9.73659294205E-02 -9.25156551961E-02 4.78850801883E-02 -1.50626663696E-02
|
|
5.2969022E+01 2.10070939324E-02 5.66876815679E-01 -4.87135378466E-01 2.38492032586E-01 -7.68498446348E-02
|
|
2.6715273E+01 1.11074299730E-03 4.04722875919E-01 -2.15695724635E-01 9.49784692456E-02 -2.80554553082E-02
|
|
1.2615512E+01 -6.89128024811E-04 5.90728411409E-02 6.35544128615E-01 -4.82130078241E-01 1.62265762040E-01
|
|
6.1868622E+00 2.88798747173E-04 -1.77557334200E-03 5.46728168777E-01 -3.69569344652E-01 1.30306482204E-01
|
|
2.5347171E+00 -1.26645263686E-04 7.76204255523E-04 5.86556431404E-02 6.66719458077E-01 -3.27989643809E-01
|
|
1.1183934E+00 5.84330016481E-05 -3.60592932075E-04 -4.53851406459E-03 5.67876475006E-01 -2.36356404880E-01
|
|
3.1726392E-01 -1.56657733152E-05 8.63900111942E-05 1.01651453695E-03 4.00849132480E-02 6.05431835156E-01
|
|
1.0310242E-01 5.09246507150E-06 -2.68208846271E-05 -3.58811093886E-04 -3.98326747528E-03 5.70631793872E-01
|
|
At p
|
|
1.0310242E-01 9.99996568600E-01
|
|
At p
|
|
2.9747816E-02 9.99999009936E-01
|
|
At d
|
|
1.0478646E+04 3.84696603098E-04 -2.06885684352E-04 7.85597810970E-05
|
|
2.6925664E+03 3.15209524590E-03 -1.70834537604E-03 6.54286235319E-04
|
|
9.5264445E+02 1.80874753986E-02 -9.85650753525E-03 3.75279992071E-03
|
|
3.9534229E+02 7.33523028839E-02 -4.06927840285E-02 1.56576290342E-02
|
|
1.8032916E+02 2.07310128319E-01 -1.16816239851E-01 4.47424316936E-02
|
|
8.7003427E+01 3.74698520422E-01 -2.08148126032E-01 8.04273572471E-02
|
|
4.3531517E+01 3.69358306447E-01 -1.40661376636E-01 4.55434564814E-02
|
|
2.1852445E+01 1.49481411609E-01 2.39623600450E-01 -1.22805178898E-01
|
|
1.0846574E+01 1.55117629730E-02 5.34455840561E-01 -2.68971961903E-01
|
|
5.3410686E+00 1.07117137283E-03 3.28405399627E-01 -5.02836921009E-02
|
|
2.4330765E+00 -2.46602632978E-04 4.99589540783E-02 4.49110424860E-01
|
|
1.0707747E+00 1.41835191561E-04 -1.20521426320E-03 5.36101549774E-01
|
|
4.2066819E-01 -9.13809993748E-05 9.46903250733E-04 1.75863774832E-01
|
|
2.5699282E-01 4.76507377667E-05 -5.10700943933E-04 4.55013713403E-03
|
|
At d
|
|
2.5699282E-01 9.99988026223E-01
|
|
At d
|
|
1.0938918E-01 9.99994903160E-01
|
|
At f
|
|
6.1490293E+02 1.66768206785E-03
|
|
2.0841720E+02 1.45814437490E-02
|
|
8.7984805E+01 6.66096439655E-02
|
|
4.0700851E+01 1.90064501626E-01
|
|
1.9726322E+01 3.38816019317E-01
|
|
9.5953321E+00 3.84604483053E-01
|
|
4.5544477E+00 2.48115756400E-01
|
|
1.9765264E+00 6.45389344212E-02
|
|
end
|