Thorium (II, 5d frozen) BASIS 1S 68.000 2S 43.550 3S 25.600 4S 14.200 5S 9.550 2P 44.650 3P 22.650 4P 14.050 5P 8.400 3D 26.950 4D 13.150 5D 7.150 4F 14.400 6S 4.800 6S 3.200 7S 1.300 7S 2.200 6P 2.450 6P 3.300 6D 2.600 6D 1.250 5F 5.550 5F 2.900 5F 1.400 7P 1.550 END CORE 5 4 3 1 1S 1003.000 1S 235.000 1S 105.300 2S 128.100 2S 45.750 3S 58.150 3S 25.050 4S 15.300 4S 10.850 5S 9.900 5S 6.900 6S 4.800 6S 3.200 7S 2.350 7S 1.550 7S 1.020 2P 82.400 2P 43.000 3P 24.400 3P 17.650 4P 17.300 4P 11.850 5P 8.300 5P 5.750 6P 3.900 6P 2.450 3D 33.250 3D 21.400 4D 15.050 4D 10.200 5D 6.950 5D 4.450 6D 2.900 6D 1.700 6D .970 4F 16.750 4F 9.100 5F 5.550 5F 2.900 5F 1.400 END DESCRIPTION .28991183958651450120E-01 .18136305322954651698E+00 .81974736349072829800E+00 .34669603935504847425E-01 -.56849397590688126314E-01 .50516270827075819561E-01 .11366355979536817838E-02 .37070117552965144245E-03 -.12234877856673377107E-02 .11856465603310509249E-02 -.52878041994089744742E-03 .24069990155900990885E-03 -.15031754132814812352E-03 .80354040991370505168E-04 -.39965889604572713337E-04 .13575474839714882019E-04 -.99319926884938857653E-02 -.72789807235435557975E-01 -.25119515914533901979E+00 -.84066713595739694931E-01 .10136427563242080829E+01 .72416121195880950312E-01 -.60477676301533712239E-03 .10455611892849426409E-01 -.18602696874230759128E-01 .14732644321311843053E-01 -.55834551023968403277E-02 .23383608709078569469E-02 -.14181588889195047200E-02 .74724703828776015222E-03 -.36914814297445212561E-03 .12502507126719889191E-03 .48351035416841414358E-02 .25530908638142904565E-01 .14679040840810964053E+00 .82779718216042239617E-03 -.38474412896082693658E+00 -.30836971733271073548E+00 .11955790125448380046E+01 .56521907336500041077E-02 -.11618289990364601486E-01 .13012638054204710147E-01 -.66521199134691655006E-02 .32830879930954596710E-02 -.21172873296909783258E-02 .11523280278913806008E-02 -.57860397986583041868E-03 .19744221109144915495E-03 -.25828133490311878419E-02 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.32997919259261324770E-02 -.13591499905289049178E-03 -.26018500761863094925E-03 .18161504930629858846E-03 -.97823262554869977567E-04 .35502904942786877218E-04 -.19264222363934310756E+00 -.39538529145774259366E+00 .69397584951381752205E+00 .50683960329184807314E+00 -.57351795368879594089E-02 .35313662904340233778E-02 -.13000274862237737403E-02 .58582320059785534822E-03 -.20126292512630895902E-03 .80932066930960583351E-01 .18674104520180054290E+00 -.42707929267294642006E+00 -.15691823895786932708E+00 .78522492818539280091E+00 .35970433336663387713E+00 .61106285420826987175E-03 .73229407927226538005E-03 -.21233804840474436362E-03 .53187386915345713501E+00 .56789808249811757346E+00 -.86848397316968677789E-02 .85970180140046217887E-02 -.29559617776036346999E-02 0/ END FIT 1S 136.00 1S 81.54 2S 90.52 2S 60.96 3S 60.25 3S 43.15 4S 40.86 4S 30.44 5S 28.25 5S 21.65 6S 19.88 6S 15.56 7S 14.21 7S 11.31 8S 10.30 8S 8.31 9S 7.56 9S 6.17 10S 5.60 10S 4.62 11S 4.20 11S 3.49 12S 3.17 12S 2.66 13S 2.42 13S 2.04 2P 112.65 3P 96.70 4P 81.17 5P 67.67 6P 56.36 7P 47.02 7P 34.33 8P 28.72 8P 21.37 9P 17.94 9P 13.57 10P 11.43 10P 8.76 11P 7.40 11P 5.74 12P 4.87 12P 3.82 13P 3.25 13P 2.57 3D 94.95 4D 69.44 5D 51.20 6D 38.13 7D 28.68 8D 21.79 9D 16.69 9D 11.55 10D 8.92 10D 6.28 11D 4.89 11D 3.50 12D 2.74 12D 1.99 4F 82.40 5F 53.37 6F 35.32 7F 23.82 8F 16.33 9F 11.37 10F 8.02 10F 5.16 11F 3.68 11F 2.42 5G 59.05 6G 34.29 7G 20.49 8G 12.55 9G 7.85 10G 5.01 11G 3.25 11G 1.94 END FITCOEFFICIENTS .847950315211423117E+03 -.606301816408480590E+03 -.611659783906451557E+05 .727320738395498047E+05 -.138522752060357551E+07 .844376311924272304E+05 .197632121814751020E+07 -.418102180689388479E+06 -.344823131050391495E+07 .183784237265728088E+07 -.311340369887408009E+07 .150225298827915540E+06 .111815639580853851E+06 -.928402188862802859E+03 -.116357110410366513E+05 .715751307220310082E+03 .962088701561366690E+02 .697636221941124859E+02 -.148388641174964664E+01 .635011649959087987E+00 -.315602593165879505E-01 .574781927859203436E-02 -.865253529219767609E-04 .125774935256625233E-04 -.109540106788748942E-06 .357315602558110521E-08 / END