Actinium [Rn]7s(2)6d(1) Nuclear Charge = 89.0000000000 Atomic Mass = 227.0000000000 Nuclear Radius = 1.383205d-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ F- F+ Number of Closed Shells 7 5 5 3 3 1 1 Open Shells 0 0 0 1 1 0 0 Conf Weight Open Shell Occupation Numbers 1 0.40000000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 2 0.60000000 0.0 0.0 0.0 0.0 1.0 0.0 0.0 * Energies Total Energy = -2.576223513778002d+04 Mass Energy = -2.574338834651419d+04 Kinetic Energy = 5.671637454224307d+04 Potential Energy = -5.673522133350892d+04 Correction to Virial = 1.885007168004424d+01 Virials -/ = 1.000332298942201d+00 -(CORR )/ = -3.323567811268414d-04 -[+(CORR )]/ = 9.999999421610739d-01 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 3.8882317781d+07 1.0000000000d+00 1.0000000000d+00 2 9.0729536456d+06 1.0000000000d+00 1.0000000000d+00 3 2.9167320275d+06 1.0000000000d+00 1.0000000000d+00 4 1.0556198413d+06 1.0000000000d+00 1.0000000000d+00 5 4.2436959343d+05 1.0000000000d+00 1.0000000000d+00 6 1.8184683312d+05 1.0000000000d+00 1.0000000000d+00 7 8.2430272661d+04 1.0000000000d+00 1.0000000000d+00 8 3.8851506555d+04 1.0000000000d+00 1.0000000000d+00 9 1.8875035570d+04 1.0000000000d+00 1.0000000000d+00 10 9.3583720508d+03 1.0000000000d+00 1.0000000000d+00 11 4.7109662838d+03 1.0000000000d+00 1.0000000000d+00 12 2.4008384692d+03 1.0000000000d+00 1.0000000000d+00 13 1.2383979893d+03 1.0000000000d+00 1.0000000000d+00 14 6.4693831455d+02 1.0000000000d+00 1.0000000000d+00 15 3.4047491735d+02 1.0000000000d+00 1.0000000000d+00 16 1.8282484867d+02 1.0000000000d+00 1.0000000000d+00 17 9.9593092974d+01 1.0000000000d+00 1.0000000000d+00 18 5.4388135929d+01 1.0000000000d+00 1.0000000000d+00 19 3.0105293858d+01 1.0000000000d+00 1.0000000000d+00 20 1.5803138298d+01 1.0000000000d+00 1.0000000000d+00 21 8.7537313327d+00 1.0000000000d+00 1.0000000000d+00 22 4.5287336605d+00 1.0000000000d+00 1.0000000000d+00 23 2.5418629049d+00 1.0000000000d+00 1.0000000000d+00 24 1.3435668337d+00 1.0000000000d+00 1.0000000000d+00 25 5.4925053130d-01 1.0000000000d+00 1.0000000000d+00 26 2.5596113951d-01 1.0000000000d+00 1.0000000000d+00 27 6.0922018154d-02 1.0000000000d+00 1.0000000000d+00 28 2.4998540705d-02 1.0000000000d+00 1.0000000000d+00 P- 1 2.7863072124d+07 1.0000000000d+00 1.0000000000d+00 2 6.4546017907d+06 1.0000000000d+00 1.0000000000d+00 3 1.7319280257d+06 1.0000000000d+00 1.0000000000d+00 4 5.1421220355d+05 1.0000000000d+00 1.0000000000d+00 5 1.6520986125d+05 1.0000000000d+00 1.0000000000d+00 6 5.6859554723d+04 1.0000000000d+00 1.0000000000d+00 7 2.0777214996d+04 1.0000000000d+00 1.0000000000d+00 8 8.0429579581d+03 1.0000000000d+00 1.0000000000d+00 9 3.2957470334d+03 1.0000000000d+00 1.0000000000d+00 10 1.4251248030d+03 1.0000000000d+00 1.0000000000d+00 11 6.4596333352d+02 1.0000000000d+00 1.0000000000d+00 12 3.0486336894d+02 1.0000000000d+00 1.0000000000d+00 13 1.4843211426d+02 1.0000000000d+00 1.0000000000d+00 14 7.3022184771d+01 1.0000000000d+00 1.0000000000d+00 15 3.7049943523d+01 1.0000000000d+00 1.0000000000d+00 16 1.7656422499d+01 1.0000000000d+00 1.0000000000d+00 17 8.7928693597d+00 1.0000000000d+00 1.0000000000d+00 18 3.6848257829d+00 1.0000000000d+00 1.0000000000d+00 19 1.7499760399d+00 1.0000000000d+00 1.0000000000d+00 20 5.8701988777d-01 1.0000000000d+00 1.0000000000d+00 21 2.2986818591d-01 1.0000000000d+00 1.0000000000d+00 P+ 1 1.4069840374d+06 1.0000000000d+00 1.0000000000d+00 2 2.8768702021d+05 1.0000000000d+00 1.0000000000d+00 3 8.3027185815d+04 1.0000000000d+00 1.0000000000d+00 4 2.8832773005d+04 1.0000000000d+00 1.0000000000d+00 5 1.1300366210d+04 1.0000000000d+00 1.0000000000d+00 6 4.8220167101d+03 1.0000000000d+00 1.0000000000d+00 7 2.1921523863d+03 1.0000000000d+00 1.0000000000d+00 8 1.0472634848d+03 1.0000000000d+00 1.0000000000d+00 9 5.1988668222d+02 1.0000000000d+00 1.0000000000d+00 10 2.6635145699d+02 1.0000000000d+00 1.0000000000d+00 11 1.3944986865d+02 1.0000000000d+00 1.0000000000d+00 12 7.3170281306d+01 1.0000000000d+00 1.0000000000d+00 13 3.9512096405d+01 1.0000000000d+00 1.0000000000d+00 14 2.1176282897d+01 1.0000000000d+00 1.0000000000d+00 15 1.1206384314d+01 1.0000000000d+00 1.0000000000d+00 16 5.9513477563d+00 1.0000000000d+00 1.0000000000d+00 17 2.9745496357d+00 1.0000000000d+00 1.0000000000d+00 18 1.4773529055d+00 1.0000000000d+00 1.0000000000d+00 19 6.3195299322d-01 1.0000000000d+00 1.0000000000d+00 20 2.9147061768d-01 1.0000000000d+00 1.0000000000d+00 21 1.1794012969d-01 1.0000000000d+00 1.0000000000d+00 D- 1 6.8633280185d+04 1.0000000000d+00 1.0000000000d+00 2 1.6121173161d+04 1.0000000000d+00 1.0000000000d+00 3 5.1935096532d+03 1.0000000000d+00 1.0000000000d+00 4 2.0006989269d+03 1.0000000000d+00 1.0000000000d+00 5 8.6755927007d+02 1.0000000000d+00 1.0000000000d+00 6 4.0700836532d+02 1.0000000000d+00 1.0000000000d+00 7 2.0207855921d+02 1.0000000000d+00 1.0000000000d+00 8 1.0411773472d+02 1.0000000000d+00 1.0000000000d+00 9 5.5105904736d+01 1.0000000000d+00 1.0000000000d+00 10 2.9394430530d+01 1.0000000000d+00 1.0000000000d+00 11 1.5492421325d+01 1.0000000000d+00 1.0000000000d+00 12 8.1511660001d+00 1.0000000000d+00 1.0000000000d+00 13 4.1702166351d+00 1.0000000000d+00 1.0000000000d+00 14 2.0836001483d+00 1.0000000000d+00 1.0000000000d+00 15 9.9157007361d-01 1.0000000000d+00 1.0000000000d+00 16 4.1109133951d-01 1.0000000000d+00 1.0000000000d+00 17 1.5466005576d-01 1.0000000000d+00 1.0000000000d+00 18 5.2200621313d-02 1.0000000000d+00 1.0000000000d+00 D+ 1 2.2795430466d+04 1.0000000000d+00 1.0000000000d+00 2 6.5727237200d+03 1.0000000000d+00 1.0000000000d+00 3 2.4835655212d+03 1.0000000000d+00 1.0000000000d+00 4 1.0786656254d+03 1.0000000000d+00 1.0000000000d+00 5 5.1135123843d+02 1.0000000000d+00 1.0000000000d+00 6 2.5691786974d+02 1.0000000000d+00 1.0000000000d+00 7 1.3428287825d+02 1.0000000000d+00 1.0000000000d+00 8 7.1980631518d+01 1.0000000000d+00 1.0000000000d+00 9 3.9246528943d+01 1.0000000000d+00 1.0000000000d+00 10 2.1381262248d+01 1.0000000000d+00 1.0000000000d+00 11 1.1535790359d+01 1.0000000000d+00 1.0000000000d+00 12 6.1883580209d+00 1.0000000000d+00 1.0000000000d+00 13 3.2200458930d+00 1.0000000000d+00 1.0000000000d+00 14 1.6337063222d+00 1.0000000000d+00 1.0000000000d+00 15 7.8679472814d-01 1.0000000000d+00 1.0000000000d+00 16 3.1756461359d-01 1.0000000000d+00 1.0000000000d+00 17 1.2291256946d-01 1.0000000000d+00 1.0000000000d+00 18 4.3710921722d-02 1.0000000000d+00 1.0000000000d+00 F- 1 1.9888333360d+03 1.0000000000d+00 1.0000000000d+00 2 6.5034135198d+02 1.0000000000d+00 1.0000000000d+00 3 2.7020218030d+02 1.0000000000d+00 1.0000000000d+00 4 1.2696983346d+02 1.0000000000d+00 1.0000000000d+00 5 6.3515857768d+01 1.0000000000d+00 1.0000000000d+00 6 3.3093455613d+01 1.0000000000d+00 1.0000000000d+00 7 1.7434401137d+01 1.0000000000d+00 1.0000000000d+00 8 9.1389255794d+00 1.0000000000d+00 1.0000000000d+00 9 4.6498218879d+00 1.0000000000d+00 1.0000000000d+00 10 2.1869304413d+00 1.0000000000d+00 1.0000000000d+00 F+ 1 1.5861346716d+03 1.0000000000d+00 1.0000000000d+00 2 5.5350522580d+02 1.0000000000d+00 1.0000000000d+00 3 2.3841654437d+02 1.0000000000d+00 1.0000000000d+00 4 1.1450459802d+02 1.0000000000d+00 1.0000000000d+00 5 5.8080774917d+01 1.0000000000d+00 1.0000000000d+00 6 3.0527644893d+01 1.0000000000d+00 1.0000000000d+00 7 1.6175555570d+01 1.0000000000d+00 1.0000000000d+00 8 8.5310957370d+00 1.0000000000d+00 1.0000000000d+00 9 4.3645627184d+00 1.0000000000d+00 1.0000000000d+00 10 2.0633076183d+00 1.0000000000d+00 1.0000000000d+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ 7S+ -3.9511515d+03 -7.3534747d+02 -1.8632166d+02 -4.7914543d+01 -1.0782029d+01 -1.8507599d+00 -1.9017523d-01 ------------ ------------ ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 6.1737267d-04 -2.5215561d-04 1.2262478d-04 6.3173681d-05 3.0587599d-05 1.3274163d-05 4.1789433d-06 2 1.3455816d-03 -5.5293234d-04 2.6916521d-04 1.3870834d-04 6.7167061d-05 2.9147190d-05 9.1761961d-06 3 2.6672609d-03 -1.1031159d-03 5.3758749d-04 2.7709113d-04 1.3417740d-04 5.8234222d-05 1.8333077d-05 4 4.8309384d-03 -2.0185603d-03 9.8534212d-04 5.0814868d-04 2.4611829d-04 1.0679860d-04 3.3623418d-05 5 8.6635656d-03 -3.6620704d-03 1.7911831d-03 9.2400263d-04 4.4750822d-04 1.9426004d-04 6.1155125d-05 6 1.5228453d-02 -6.5357459d-03 3.2042955d-03 1.6544738d-03 8.0165507d-04 3.4781385d-04 1.0950801d-04 7 2.6733224d-02 -1.1674825d-02 5.7416830d-03 2.9654216d-03 1.4364715d-03 6.2380324d-04 1.9637086d-04 8 4.6697278d-02 -2.0843367d-02 1.0285239d-02 5.3204201d-03 2.5796241d-03 1.1188760d-03 3.5230835d-04 9 8.0667722d-02 -3.7061637d-02 1.8390035d-02 9.5163447d-03 4.6111981d-03 2.0037660d-03 6.3072851d-04 10 1.3436972d-01 -6.4390099d-02 3.2178367d-02 1.6705184d-02 8.1093353d-03 3.5157370d-03 1.1072014d-03 11 2.0471232d-01 -1.0494910d-01 5.3179483d-02 2.7651413d-02 1.3410876d-02 5.8348153d-03 1.8364075d-03 12 2.5870006d-01 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-6.5468393d-01 -2.1544329d-01 22 4.1786862d-05 -1.4340164d-04 2.5794765d-03 -2.2012047d-01 -1.1213948d-01 -6.4121924d-02 -1.9465959d-02 23 -2.5756821d-05 1.0001483d-04 -1.4235800d-03 4.1081575d-03 1.0438207d+00 9.4961791d-01 3.3618786d-01 24 1.0137811d-05 -3.3947983d-05 4.1769889d-04 -3.7435462d-03 4.9332576d-01 5.5464127d-01 2.1968755d-01 25 -3.2848445d-06 1.0872975d-05 -1.2882186d-04 8.1771144d-04 2.4073190d-02 -8.7866677d-01 -4.5693114d-01 26 1.2380365d-06 -4.4810599d-06 5.2380701d-05 -2.1162904d-04 -2.1957414d-03 -6.1825082d-01 -4.7314901d-01 27 -2.9753853d-07 1.0229554d-06 -1.1767562d-05 5.7272068d-05 4.3158928d-04 -2.1392363d-02 7.0352288d-01 28 1.1827242d-07 -4.0784129d-07 4.6853790d-06 -2.2334018d-05 -1.6327282d-04 4.7601930d-03 5.5149492d-01 *** Small Component *** 29 7.3144518d-04 -2.9762192d-04 1.4464595d-04 7.4503552d-05 3.6070252d-05 1.5654570d-05 4.9282528d-06 30 2.1929696d-03 -8.9260745d-04 4.3381167d-04 2.2347677d-04 1.0820871d-04 4.6951747d-05 1.4781683d-05 31 3.9695812d-03 -1.6176527d-03 7.8641941d-04 4.0506625d-04 1.9609989d-04 8.5118399d-05 2.6795709d-05 32 7.0780338d-03 -2.8879739d-03 1.4041066d-03 7.2346806d-04 3.5035179d-04 1.5199111d-04 4.7852680d-05 33 1.1368960d-02 -4.6505529d-03 2.2625358d-03 1.1654364d-03 5.6416259d-04 2.4493831d-04 7.7104421d-05 34 1.8024028d-02 -7.3994438d-03 3.6013456d-03 1.8564222d-03 8.9921817d-04 3.8999343d-04 1.2279258d-04 35 2.7079333d-02 -1.1194657d-02 5.4576199d-03 2.8121141d-03 1.3611983d-03 5.9121326d-04 1.8609646d-04 36 3.9804266d-02 -1.6642252d-02 8.1273714d-03 4.1941690d-03 2.0325287d-03 8.8118997d-04 2.7747537d-04 37 5.5728107d-02 -2.3800860d-02 1.1678443d-02 6.0256901d-03 2.9172160d-03 1.2677746d-03 3.9902711d-04 38 7.3537441d-02 -3.2578712d-02 1.6090789d-02 8.3306357d-03 4.0414953d-03 1.7514820d-03 5.5159763d-04 39 8.6336342d-02 -4.0851698d-02 2.0467933d-02 1.0612384d-02 5.1427507d-03 2.2374999d-03 7.0417095d-04 40 8.2603632d-02 -4.3184574d-02 2.2076547d-02 1.1542882d-02 5.6181131d-03 2.4323015d-03 7.6631536d-04 41 5.4114862d-02 -3.0018586d-02 1.5610324d-02 8.1451886d-03 3.9454355d-03 1.7264961d-03 5.4285146d-04 42 1.8284950d-02 4.4241621d-03 -4.9244256d-03 -2.9220754d-03 -1.4484285d-03 -6.5487727d-04 -2.0524560d-04 43 1.8621522d-03 4.2260971d-02 -3.5177654d-02 -2.0944515d-02 -1.0568848d-02 -4.5934780d-03 -1.4501998d-03 44 6.3234523d-05 4.2129216d-02 -4.5349810d-02 -2.8655100d-02 -1.4610690d-02 -6.4772904d-03 -2.0404914d-03 45 -2.6170227d-05 1.4109025d-02 -9.9963050d-03 -6.5281569d-03 -3.5145722d-03 -1.4716334d-03 -4.6928743d-04 46 1.5136296d-05 1.0647203d-03 3.1160878d-02 3.4375646d-02 2.0669086d-02 9.2937223d-03 2.9559920d-03 47 -1.0430891d-05 3.2077229d-05 2.1051687d-02 2.9088586d-02 1.8153338d-02 8.5632091d-03 2.7167234d-03 48 6.1704000d-06 -1.2822233d-05 2.7972501d-03 -1.0980879d-02 -9.5100953d-03 -4.9186652d-03 -1.5717169d-03 49 -3.5935001d-06 2.8976591d-06 -4.3729039d-05 -1.7781411d-02 -2.2558509d-02 -1.2238498d-02 -4.0273783d-03 50 2.0496168d-06 -1.6886268d-06 3.3453273d-05 -2.9643740d-03 -1.5138241d-03 -8.6668871d-04 -2.6327877d-04 51 -1.1439593d-06 8.6024887d-07 -1.3584408d-05 4.1897268d-05 1.0518612d-02 9.5673054d-03 3.3869369d-03 52 4.2942344d-07 -1.8684468d-07 2.7457967d-06 -2.7628352d-05 3.6143802d-03 4.0632273d-03 1.6094184d-03 53 -1.3230002d-07 2.9721323d-08 -4.9747602d-07 3.8928457d-06 1.1284294d-04 -4.1152550d-03 -2.1399808d-03 54 4.8231071d-08 -6.1403227d-09 1.2691166d-07 -6.9977552d-07 -7.0471966d-06 -1.9768301d-03 -1.5128238d-03 55 -1.1621173d-08 -5.1474403d-10 -7.9823412d-09 9.5065467d-08 6.7964072d-07 -3.3363180d-05 1.0973905d-03 56 4.9125602d-09 5.0629565d-10 2.0149726d-10 -2.4762449d-08 -1.6587283d-07 4.7536073d-06 5.5105611d-04 2P- 3P- 4P- 5P- 6P- -7.0723068d+02 -1.7360769d+02 -4.2208991d+01 -8.5441855d+00 -1.1493071d+00 ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 1.3647047d-04 -7.0398509d-05 -3.6204186d-05 1.6956940d-05 6.8501005d-06 2 3.9264042d-04 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1.5235063d-02 18 1.0034581d-02 19 3.6744053d-03 20 4.8704049d-04 * Radial Moments Sym Orb S+ 1 3.55824d+04 1.15578d+02 1.43322d-02 2.87324d-04 7.40853d-06 2.33694d-07 2 5.49145d+03 2.90297d+01 5.94301d-02 4.25380d-03 3.48487d-04 3.22291d-05 3 1.28849d+03 1.06085d+01 1.54440d-01 2.74548d-02 5.37231d-03 1.14580d-03 4 3.43266d+02 4.52357d+00 3.37306d-01 1.28496d-01 5.31696d-02 2.36762d-02 5 8.12254d+01 1.95080d+00 7.19307d-01 5.77779d-01 5.02400d-01 4.69388d-01 6 1.55020d+01 8.07677d-01 1.62627d+00 2.95466d+00 5.85701d+00 1.26059d+01 7 1.57542d+00 2.71488d-01 4.60252d+00 2.39914d+01 1.39330d+02 8.95956d+02 P- 1 1.74268d+03 2.89398d+01 4.83954d-02 2.95892d-03 2.17700d-04 1.87224d-05 2 4.22096d+02 1.05038d+01 1.45526d-01 2.48061d-02 4.70568d-03 9.82668d-04 3 1.11323d+02 4.41214d+00 3.36621d-01 1.28996d-01 5.39731d-02 2.44379d-02 4 2.50661d+01 1.84064d+00 7.52774d-01 6.35806d-01 5.84369d-01 5.80806d-01 5 4.26983d+00 7.16792d-01 1.81714d+00 3.70708d+00 8.29843d+00 2.02524d+01 P+ 1 6.59167d+02 2.19193d+01 5.81765d-02 4.12514d-03 3.45713d-04 3.34880d-05 2 1.62607d+02 8.66114d+00 1.63114d-01 3.09448d-02 6.51306d-03 1.50426d-03 3 4.38811d+01 3.80043d+00 3.70918d-01 1.56313d-01 7.18805d-02 3.57402d-02 4 1.00533d+01 1.62240d+00 8.28425d-01 7.69637d-01 7.78284d-01 8.51148d-01 5 1.65724d+00 6.25079d-01 2.04918d+00 4.73144d+00 1.20728d+01 3.39325d+01 D- 1 9.18744d+01 8.54349d+00 1.41182d-01 2.34001d-02 4.46668d-03 9.67873d-04 2 2.36705d+01 3.60989d+00 3.69856d-01 1.57691d-01 7.44384d-02 3.85274d-02 3 4.64506d+00 1.39506d+00 9.44795d-01 1.01446d+00 1.20529d+00 1.57730d+00 4 3.73633d-01 3.75262d-01 3.41367d+00 1.37187d+01 6.37418d+01 3.37485d+02 D+ 1 8.20096d+01 8.15834d+00 1.46431d-01 2.50451d-02 4.91889d-03 1.09468d-03 2 2.11529d+01 3.47575d+00 3.80558d-01 1.66708d-01 8.08199d-02 4.29444d-02 3 4.13730d+00 1.34552d+00 9.73776d-01 1.07730d+00 1.31907d+00 1.77954d+00 4 3.26432d-01 3.59505d-01 3.54875d+00 1.48295d+01 7.17936d+01 3.97608d+02 F- 1 1.23149d+01 3.18059d+00 3.75340d-01 1.65564d-01 8.46980d-02 4.96753d-02 F+ 1 1.18900d+01 3.13020d+00 3.80770d-01 1.70242d-01 8.82330d-02 5.24155d-02 ------------------------------------------------------------------------------ Thorium [Rn]7s(2)6d(2) Nuclear Charge = 90.0000000000 Atomic Mass = 232.0000000000 Nuclear Radius = 1.392273d-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ F- F+ Number of Closed Shells 7 5 5 3 3 1 1 Open Shells 0 0 0 1 1 0 0 Conf Weight Open Shell Occupation Numbers 1 0.13333333 0.0 0.0 0.0 2.0 0.0 0.0 0.0 2 0.53333333 0.0 0.0 0.0 1.0 1.0 0.0 0.0 3 0.33333333 0.0 0.0 0.0 0.0 2.0 0.0 0.0 * Energies Total Energy = -2.651075734522129d+04 Mass Energy = -2.648986063232337d+04 Kinetic Energy = 5.853321771797456d+04 Potential Energy = -5.855411443087249d+04 Correction to Virial = 2.089978817815434d+01 Virials -/ = 1.000357006050797d+00 -(CORR )/ = -3.570585898566852d-04 -[+(CORR )]/ = 9.999999474609402d-01 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 3.8430981119d+07 1.0000000000d+00 1.0000000000d+00 2 8.9664904523d+06 1.0000000000d+00 1.0000000000d+00 3 2.8842304264d+06 1.0000000000d+00 1.0000000000d+00 4 1.0450508067d+06 1.0000000000d+00 1.0000000000d+00 5 4.2089306802d+05 1.0000000000d+00 1.0000000000d+00 6 1.8070134548d+05 1.0000000000d+00 1.0000000000d+00 7 8.2091630758d+04 1.0000000000d+00 1.0000000000d+00 8 3.8794756735d+04 1.0000000000d+00 1.0000000000d+00 9 1.8907806585d+04 1.0000000000d+00 1.0000000000d+00 10 9.4017733605d+03 1.0000000000d+00 1.0000000000d+00 11 4.7425262981d+03 1.0000000000d+00 1.0000000000d+00 12 2.4201540784d+03 1.0000000000d+00 1.0000000000d+00 13 1.2493030857d+03 1.0000000000d+00 1.0000000000d+00 14 6.5268975520d+02 1.0000000000d+00 1.0000000000d+00 15 3.4406310320d+02 1.0000000000d+00 1.0000000000d+00 16 1.8483197982d+02 1.0000000000d+00 1.0000000000d+00 17 1.0066038430d+02 1.0000000000d+00 1.0000000000d+00 18 5.5273087455d+01 1.0000000000d+00 1.0000000000d+00 19 3.0608422591d+01 1.0000000000d+00 1.0000000000d+00 20 1.6041804423d+01 1.0000000000d+00 1.0000000000d+00 21 8.9079667105d+00 1.0000000000d+00 1.0000000000d+00 22 4.5696130986d+00 1.0000000000d+00 1.0000000000d+00 23 2.5891366542d+00 1.0000000000d+00 1.0000000000d+00 24 1.3835880864d+00 1.0000000000d+00 1.0000000000d+00 25 5.9667073178d-01 1.0000000000d+00 1.0000000000d+00 26 2.8134499770d-01 1.0000000000d+00 1.0000000000d+00 27 7.1350745232d-02 1.0000000000d+00 1.0000000000d+00 28 2.8663361969d-02 1.0000000000d+00 1.0000000000d+00 P- 1 2.8226156831d+07 1.0000000000d+00 1.0000000000d+00 2 6.6337439493d+06 1.0000000000d+00 1.0000000000d+00 3 1.7985843878d+06 1.0000000000d+00 1.0000000000d+00 4 5.3904303639d+05 1.0000000000d+00 1.0000000000d+00 5 1.7442489792d+05 1.0000000000d+00 1.0000000000d+00 6 6.0203753575d+04 1.0000000000d+00 1.0000000000d+00 7 2.2037802536d+04 1.0000000000d+00 1.0000000000d+00 8 8.5359706256d+03 1.0000000000d+00 1.0000000000d+00 9 3.4957996684d+03 1.0000000000d+00 1.0000000000d+00 10 1.5097959506d+03 1.0000000000d+00 1.0000000000d+00 11 6.8346278330d+02 1.0000000000d+00 1.0000000000d+00 12 3.2212530910d+02 1.0000000000d+00 1.0000000000d+00 13 1.5673874707d+02 1.0000000000d+00 1.0000000000d+00 14 7.6898318581d+01 1.0000000000d+00 1.0000000000d+00 15 3.8967720660d+01 1.0000000000d+00 1.0000000000d+00 16 1.8557990067d+01 1.0000000000d+00 1.0000000000d+00 17 9.2596652485d+00 1.0000000000d+00 1.0000000000d+00 18 3.9004829690d+00 1.0000000000d+00 1.0000000000d+00 19 1.8725937249d+00 1.0000000000d+00 1.0000000000d+00 20 6.4239505239d-01 1.0000000000d+00 1.0000000000d+00 21 2.5407187273d-01 1.0000000000d+00 1.0000000000d+00 P+ 1 1.4522301300d+06 1.0000000000d+00 1.0000000000d+00 2 2.9643891956d+05 1.0000000000d+00 1.0000000000d+00 3 8.5678000813d+04 1.0000000000d+00 1.0000000000d+00 4 2.9776575868d+04 1.0000000000d+00 1.0000000000d+00 5 1.1650848455d+04 1.0000000000d+00 1.0000000000d+00 6 4.9596859606d+03 1.0000000000d+00 1.0000000000d+00 7 2.2528729308d+03 1.0000000000d+00 1.0000000000d+00 8 1.0767831016d+03 1.0000000000d+00 1.0000000000d+00 9 5.3532007310d+02 1.0000000000d+00 1.0000000000d+00 10 2.7477598293d+02 1.0000000000d+00 1.0000000000d+00 11 1.4411639007d+02 1.0000000000d+00 1.0000000000d+00 12 7.5782995435d+01 1.0000000000d+00 1.0000000000d+00 13 4.1030497110d+01 1.0000000000d+00 1.0000000000d+00 14 2.2077689354d+01 1.0000000000d+00 1.0000000000d+00 15 1.1712541727d+01 1.0000000000d+00 1.0000000000d+00 16 6.2474599708d+00 1.0000000000d+00 1.0000000000d+00 17 3.1422050188d+00 1.0000000000d+00 1.0000000000d+00 18 1.5769358990d+00 1.0000000000d+00 1.0000000000d+00 19 6.8687660323d-01 1.0000000000d+00 1.0000000000d+00 20 3.2045024632d-01 1.0000000000d+00 1.0000000000d+00 21 1.3005477643d-01 1.0000000000d+00 1.0000000000d+00 D- 1 7.2671623728d+04 1.0000000000d+00 1.0000000000d+00 2 1.7014893073d+04 1.0000000000d+00 1.0000000000d+00 3 5.4719080686d+03 1.0000000000d+00 1.0000000000d+00 4 2.1033520793d+03 1.0000000000d+00 1.0000000000d+00 5 9.1020388706d+02 1.0000000000d+00 1.0000000000d+00 6 4.2614952014d+02 1.0000000000d+00 1.0000000000d+00 7 2.1113000964d+02 1.0000000000d+00 1.0000000000d+00 8 1.0862563877d+02 1.0000000000d+00 1.0000000000d+00 9 5.7435661108d+01 1.0000000000d+00 1.0000000000d+00 10 3.0620340284d+01 1.0000000000d+00 1.0000000000d+00 11 1.6141497511d+01 1.0000000000d+00 1.0000000000d+00 12 8.5025646124d+00 1.0000000000d+00 1.0000000000d+00 13 4.3611726705d+00 1.0000000000d+00 1.0000000000d+00 14 2.1910894922d+00 1.0000000000d+00 1.0000000000d+00 15 1.0523185173d+00 1.0000000000d+00 1.0000000000d+00 16 4.3596480408d-01 1.0000000000d+00 1.0000000000d+00 17 1.7188861552d-01 1.0000000000d+00 1.0000000000d+00 18 6.0934443783d-02 1.0000000000d+00 1.0000000000d+00 D+ 1 2.3688584286d+04 1.0000000000d+00 1.0000000000d+00 2 6.7935928654d+03 1.0000000000d+00 1.0000000000d+00 3 2.5610267557d+03 1.0000000000d+00 1.0000000000d+00 4 1.1116289452d+03 1.0000000000d+00 1.0000000000d+00 5 5.2640678130d+02 1.0000000000d+00 1.0000000000d+00 6 2.6415749878d+02 1.0000000000d+00 1.0000000000d+00 7 1.3798809357d+02 1.0000000000d+00 1.0000000000d+00 8 7.3985248058d+01 1.0000000000d+00 1.0000000000d+00 9 4.0367416408d+01 1.0000000000d+00 1.0000000000d+00 10 2.2017615009d+01 1.0000000000d+00 1.0000000000d+00 11 1.1906194961d+01 1.0000000000d+00 1.0000000000d+00 12 6.4034298507d+00 1.0000000000d+00 1.0000000000d+00 13 3.3474324612d+00 1.0000000000d+00 1.0000000000d+00 14 1.7125728255d+00 1.0000000000d+00 1.0000000000d+00 15 8.3746403072d-01 1.0000000000d+00 1.0000000000d+00 16 3.4959859798d-01 1.0000000000d+00 1.0000000000d+00 17 1.4022252959d-01 1.0000000000d+00 1.0000000000d+00 18 5.1591275221d-02 1.0000000000d+00 1.0000000000d+00 F- 1 2.0368492432d+03 1.0000000000d+00 1.0000000000d+00 2 6.6445483358d+02 1.0000000000d+00 1.0000000000d+00 3 2.7569346907d+02 1.0000000000d+00 1.0000000000d+00 4 1.2953205164d+02 1.0000000000d+00 1.0000000000d+00 5 6.4776013289d+01 1.0000000000d+00 1.0000000000d+00 6 3.3751512278d+01 1.0000000000d+00 1.0000000000d+00 7 1.7801752701d+01 1.0000000000d+00 1.0000000000d+00 8 9.3658628486d+00 1.0000000000d+00 1.0000000000d+00 9 4.7974473330d+00 1.0000000000d+00 1.0000000000d+00 10 2.2827476744d+00 1.0000000000d+00 1.0000000000d+00 F+ 1 1.6259718473d+03 1.0000000000d+00 1.0000000000d+00 2 5.6632946659d+02 1.0000000000d+00 1.0000000000d+00 3 2.4392680866d+02 1.0000000000d+00 1.0000000000d+00 4 1.1717213228d+02 1.0000000000d+00 1.0000000000d+00 5 5.9511926459d+01 1.0000000000d+00 1.0000000000d+00 6 3.1349383818d+01 1.0000000000d+00 1.0000000000d+00 7 1.6662663428d+01 1.0000000000d+00 1.0000000000d+00 8 8.8291033758d+00 1.0000000000d+00 1.0000000000d+00 9 4.5478368714d+00 1.0000000000d+00 1.0000000000d+00 10 2.1734920510d+00 1.0000000000d+00 1.0000000000d+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ 7S+ -4.0585356d+03 -7.5857016d+02 -1.9311461d+02 -5.0194237d+01 -1.1567583d+01 -2.0654421d+00 -2.0905591d-01 ------------ ------------ ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 6.6139708d-04 -2.7155615d-04 1.3223697d-04 6.8312160d-05 3.3371106d-05 1.4839657d-05 4.8598422d-06 2 1.4371741d-03 -5.9375121d-04 2.8943249d-04 1.4956190d-04 7.3069210d-05 3.2491198d-05 1.0640844d-05 3 2.8368133d-03 -1.1797038d-03 5.7571270d-04 2.9755866d-04 1.4537800d-04 6.4653329d-05 2.1173024d-05 4 5.1106476d-03 -2.1476595d-03 1.0498717d-03 5.4292269d-04 2.6530622d-04 1.1796667d-04 3.8635580d-05 5 9.1154791d-03 -3.8758995d-03 1.8985557d-03 9.8210812d-04 4.7992062d-04 2.1347643d-04 6.9907406d-05 6 1.5928315d-02 -6.8786637d-03 3.3776218d-03 1.7488344d-03 8.5491371d-04 3.8007361d-04 1.2449075d-04 7 2.7777840d-02 -1.2209765d-02 6.0142090d-03 3.1148743d-03 1.5225052d-03 6.7751523d-04 2.2184351d-04 8 4.8133831d-02 -2.1631573d-02 1.0692083d-02 5.5465466d-03 2.7130503d-03 1.2057497d-03 3.9500746d-04 9 8.2454287d-02 -3.8149797d-02 1.8962023d-02 9.8401041d-03 4.8116169d-03 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5.8930957d-02 3.9617561d-01 -1.3356222d-01 14 4.7652708d-05 1.4678850d-03 5.1575439d-01 -1.9066386d-01 15 -1.9949642d-05 1.6331423d-04 2.2566250d-01 3.8812518d-02 16 9.7235131d-06 -1.3593990d-04 2.2010533d-02 4.0821332d-01 17 -3.3316962d-06 3.2119209d-05 -7.6500803d-04 5.0750010d-01 18 1.1160217d-06 -1.2234039d-05 3.8587656d-04 2.4839637d-01 *** Small Component *** 19 5.0699749d-05 -2.8040444d-05 1.1994320d-05 -3.2391916d-06 20 2.9909794d-04 -1.6610706d-04 7.1433529d-05 -1.9475703d-05 21 1.2193924d-03 -6.7854604d-04 2.9099053d-04 -7.8801050d-05 22 3.8912850d-03 -2.1832875d-03 9.4040634d-04 -2.5611748d-04 23 9.8974195d-03 -5.6117715d-03 2.4175283d-03 -6.5556399d-04 24 1.9850279d-02 -1.1481725d-02 4.9786717d-03 -1.3570273d-03 25 2.9552018d-02 -1.7136072d-02 7.4170936d-03 -2.0113828d-03 26 2.9949462d-02 -1.6354202d-02 6.9977706d-03 -1.9089577d-03 27 1.7183465d-02 -3.1240193d-03 4.0067355d-04 -5.3639544d-05 28 4.5421496d-03 1.3029649d-02 -7.5735132d-03 2.1189987d-03 29 3.8563762d-04 1.6157507d-02 -9.2605698d-03 2.6503262d-03 30 1.6329299d-05 7.1946942d-03 -1.2826256d-03 1.5186629d-04 31 -1.0790451d-06 1.0412127d-03 6.9958420d-03 -2.3583388d-03 32 5.1250267d-07 1.8655498d-05 6.5156080d-03 -2.4085502d-03 33 -1.3757841d-07 1.4004278d-06 1.9937100d-03 3.4278105d-04 34 4.0944708d-08 -7.6007200d-07 1.2563388d-04 2.3299667d-03 35 -6.2660956d-09 1.0977749d-07 -2.7626851d-06 1.8345475d-03 36 6.6357719d-10 -2.4866703d-08 8.4521031d-07 5.4465171d-04 4F- -1.3534266d+01 ------------ *** Large Component *** 1 1.9172979d-04 2 1.7774543d-03 3 1.0556451d-02 4 4.2816980d-02 5 1.2300645d-01 6 2.5038068d-01 7 3.4767355d-01 8 3.1961014d-01 9 1.6522967d-01 10 3.1902986d-02 *** Small Component *** 11 6.6077568d-05 12 4.3818168d-04 13 1.8086341d-03 14 5.1929160d-03 15 1.0701054d-02 16 1.5824516d-02 17 1.6009414d-02 18 1.0688809d-02 19 3.9566723d-03 20 5.2527267d-04 4F+ -1.3176153d+01 ------------ *** Large Component *** 1 1.9957523d-04 2 2.0073274d-03 3 1.1879257d-02 4 4.6829548d-02 5 1.3083012d-01 6 2.5630150d-01 7 3.4688887d-01 8 3.1078518d-01 9 1.5650646d-01 10 2.9382692d-02 *** Small Component *** 11 7.9438152d-05 12 4.9837556d-04 13 1.9841958d-03 14 5.4855762d-03 15 1.0988769d-02 16 1.5673969d-02 17 1.5486274d-02 18 1.0107116d-02 19 3.6538707d-03 20 4.7431736d-04 * Radial Moments Sym Orb S+ 1 3.72619d+04 1.17806d+02 1.41037d-02 2.78611d-04 7.08424d-06 2.20471d-07 2 5.80447d+03 2.96562d+01 5.84456d-02 4.11719d-03 3.32061d-04 3.02391d-05 3 1.36509d+03 1.08268d+01 1.51925d-01 2.65753d-02 5.11717d-03 1.07396d-03 4 3.65548d+02 4.62100d+00 3.31316d-01 1.23983d-01 5.03866d-02 2.20314d-02 5 8.80011d+01 2.00569d+00 7.02139d-01 5.50407d-01 4.66744d-01 4.24880d-01 6 1.76150d+01 8.46171d-01 1.55903d+00 2.71282d+00 5.14137d+00 1.05583d+01 7 1.93224d+00 2.91672d-01 4.30673d+00 2.10157d+01 1.14250d+02 6.87785d+02 P- 1 1.84612d+03 2.95685d+01 4.75270d-02 2.85731d-03 2.06843d-04 1.75094d-05 2 4.48713d+02 1.07223d+01 1.43063d-01 2.39825d-02 4.47447d-03 9.19022d-04 3 1.19006d+02 4.50962d+00 3.30370d-01 1.24261d-01 5.10206d-02 2.26625d-02 4 2.73310d+01 1.89646d+00 7.33139d-01 6.02843d-01 5.38869d-01 5.20184d-01 5 4.92756d+00 7.55941d-01 1.73065d+00 3.35898d+00 7.14078d+00 1.65222d+01 P+ 1 6.76641d+02 2.22036d+01 5.74424d-02 4.02208d-03 3.32872d-04 3.18425d-05 2 1.67511d+02 8.78736d+00 1.60871d-01 3.01037d-02 6.24942d-03 1.42350d-03 3 4.54892d+01 3.86699d+00 3.64905d-01 1.51286d-01 6.84224d-02 3.34477d-02 4 1.06512d+01 1.66720d+00 8.07820d-01 7.31480d-01 7.20141d-01 7.65636d-01 5 1.86433d+00 6.59045d-01 1.94981d+00 4.27760d+00 1.03472d+01 2.75078d+01 D- 1 9.46538d+01 8.66984d+00 1.39142d-01 2.27284d-02 4.27542d-03 9.12866d-04 2 2.45781d+01 3.67779d+00 3.63185d-01 1.52029d-01 7.04258d-02 3.57480d-02 3 4.98835d+00 1.44488d+00 9.13539d-01 9.47095d-01 1.08378d+00 1.36209d+00 4 4.88133d-01 4.23723d-01 3.02852d+00 1.07323d+01 4.38064d+01 2.03928d+02 D+ 1 8.42516d+01 8.26960d+00 1.44441d-01 2.43655d-02 4.71896d-03 1.03543d-03 2 2.19070d+01 3.53832d+00 3.73883d-01 1.60877d-01 7.65693d-02 3.99173d-02 3 4.43711d+00 1.39350d+00 9.41389d-01 1.00531d+00 1.18514d+00 1.53474d+00 4 4.23019d-01 4.04576d-01 3.15923d+00 1.16847d+01 4.98591d+01 2.43280d+02 F- 1 1.28277d+01 3.24836d+00 3.66949d-01 1.57988d-01 7.87567d-02 4.49358d-02 F+ 1 1.23767d+01 3.19602d+00 3.72327d-01 1.62503d-01 8.20750d-02 4.74333d-02 ------------------------------------------------------------------------------ Protoactinium [Rn]7s(2)6d(1)5f(2) Nuclear Charge = 91.0000000000 Atomic Mass = 231.0000000000 Nuclear Radius = 1.390470d-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ F- F+ Number of Closed Shells 7 5 5 3 3 1 1 Open Shells 0 0 0 1 1 1 1 Conf Weight Open Shell Occupation Numbers 1 0.06593407 0.0 0.0 0.0 1.0 0.0 2.0 0.0 2 0.21098901 0.0 0.0 0.0 1.0 0.0 1.0 1.0 3 0.12307692 0.0 0.0 0.0 1.0 0.0 0.0 2.0 4 0.09890110 0.0 0.0 0.0 0.0 1.0 2.0 0.0 5 0.31648352 0.0 0.0 0.0 0.0 1.0 1.0 1.0 6 0.18461538 0.0 0.0 0.0 0.0 1.0 0.0 2.0 * Energies Total Energy = -2.727421092446844d+04 Mass Energy = -2.725130727992359d+04 Kinetic Energy = 6.039870343313916d+04 Potential Energy = -6.042160707768402d+04 Correction to Virial = 2.290740009153466d+01 Virials -/ = 1.000379207553192d+00 -(CORR )/ = -3.792697324520046d-04 -[+(CORR )]/ = 9.999999378207400d-01 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 3.8572282644d+07 1.0000000000d+00 1.0000000000d+00 2 8.9925814967d+06 1.0000000000d+00 1.0000000000d+00 3 2.8895704602d+06 1.0000000000d+00 1.0000000000d+00 4 1.0456593933d+06 1.0000000000d+00 1.0000000000d+00 5 4.2083645230d+05 1.0000000000d+00 1.0000000000d+00 6 1.8065741855d+05 1.0000000000d+00 1.0000000000d+00 7 8.2069512167d+04 1.0000000000d+00 1.0000000000d+00 8 3.8778075116d+04 1.0000000000d+00 1.0000000000d+00 9 1.8906279163d+04 1.0000000000d+00 1.0000000000d+00 10 9.4085611517d+03 1.0000000000d+00 1.0000000000d+00 11 4.7501920702d+03 1.0000000000d+00 1.0000000000d+00 12 2.4254051169d+03 1.0000000000d+00 1.0000000000d+00 13 1.2519793043d+03 1.0000000000d+00 1.0000000000d+00 14 6.5352335680d+02 1.0000000000d+00 1.0000000000d+00 15 3.4517677450d+02 1.0000000000d+00 1.0000000000d+00 16 1.8551076088d+02 1.0000000000d+00 1.0000000000d+00 17 1.0090439970d+02 1.0000000000d+00 1.0000000000d+00 18 5.5807401227d+01 1.0000000000d+00 1.0000000000d+00 19 3.0919968640d+01 1.0000000000d+00 1.0000000000d+00 20 1.6145030431d+01 1.0000000000d+00 1.0000000000d+00 21 8.9798645306d+00 1.0000000000d+00 1.0000000000d+00 22 4.5593810766d+00 1.0000000000d+00 1.0000000000d+00 23 2.5796152314d+00 1.0000000000d+00 1.0000000000d+00 24 1.3679632091d+00 1.0000000000d+00 1.0000000000d+00 25 6.0557317307d-01 1.0000000000d+00 1.0000000000d+00 26 2.8080413725d-01 1.0000000000d+00 1.0000000000d+00 27 6.5980102287d-02 1.0000000000d+00 1.0000000000d+00 28 2.6673567217d-02 1.0000000000d+00 1.0000000000d+00 P- 1 2.8797329462d+07 1.0000000000d+00 1.0000000000d+00 2 6.8163623721d+06 1.0000000000d+00 1.0000000000d+00 3 1.8523940415d+06 1.0000000000d+00 1.0000000000d+00 4 5.5532098279d+05 1.0000000000d+00 1.0000000000d+00 5 1.7979105369d+05 1.0000000000d+00 1.0000000000d+00 6 6.2118971652d+04 1.0000000000d+00 1.0000000000d+00 7 2.2745085230d+04 1.0000000000d+00 1.0000000000d+00 8 8.8098732985d+03 1.0000000000d+00 1.0000000000d+00 9 3.6064310450d+03 1.0000000000d+00 1.0000000000d+00 10 1.5566643106d+03 1.0000000000d+00 1.0000000000d+00 11 7.0442503965d+02 1.0000000000d+00 1.0000000000d+00 12 3.3194381426d+02 1.0000000000d+00 1.0000000000d+00 13 1.6152056449d+02 1.0000000000d+00 1.0000000000d+00 14 7.9295329878d+01 1.0000000000d+00 1.0000000000d+00 15 4.0209005438d+01 1.0000000000d+00 1.0000000000d+00 16 1.9169142654d+01 1.0000000000d+00 1.0000000000d+00 17 9.5936130812d+00 1.0000000000d+00 1.0000000000d+00 18 4.0606983288d+00 1.0000000000d+00 1.0000000000d+00 19 1.9481172934d+00 1.0000000000d+00 1.0000000000d+00 20 6.6558207887d-01 1.0000000000d+00 1.0000000000d+00 21 2.6012915050d-01 1.0000000000d+00 1.0000000000d+00 P+ 1 1.4985735398d+06 1.0000000000d+00 1.0000000000d+00 2 3.0626551511d+05 1.0000000000d+00 1.0000000000d+00 3 8.8452428974d+04 1.0000000000d+00 1.0000000000d+00 4 3.0671742608d+04 1.0000000000d+00 1.0000000000d+00 5 1.1994997166d+04 1.0000000000d+00 1.0000000000d+00 6 5.1103191335d+03 1.0000000000d+00 1.0000000000d+00 7 2.3202571638d+03 1.0000000000d+00 1.0000000000d+00 8 1.1075376519d+03 1.0000000000d+00 1.0000000000d+00 9 5.4984168340d+02 1.0000000000d+00 1.0000000000d+00 10 2.8187871600d+02 1.0000000000d+00 1.0000000000d+00 11 1.4770965953d+02 1.0000000000d+00 1.0000000000d+00 12 7.7629278606d+01 1.0000000000d+00 1.0000000000d+00 13 4.1993127497d+01 1.0000000000d+00 1.0000000000d+00 14 2.2569501413d+01 1.0000000000d+00 1.0000000000d+00 15 1.1995486925d+01 1.0000000000d+00 1.0000000000d+00 16 6.4065352625d+00 1.0000000000d+00 1.0000000000d+00 17 3.2377492922d+00 1.0000000000d+00 1.0000000000d+00 18 1.6208209463d+00 1.0000000000d+00 1.0000000000d+00 19 6.9985983490d-01 1.0000000000d+00 1.0000000000d+00 20 3.2124772282d-01 1.0000000000d+00 1.0000000000d+00 21 1.2989291758d-01 1.0000000000d+00 1.0000000000d+00 D- 1 7.4179471611d+04 1.0000000000d+00 1.0000000000d+00 2 1.7422412885d+04 1.0000000000d+00 1.0000000000d+00 3 5.5993185731d+03 1.0000000000d+00 1.0000000000d+00 4 2.1499155951d+03 1.0000000000d+00 1.0000000000d+00 5 9.2976156266d+02 1.0000000000d+00 1.0000000000d+00 6 4.3571207438d+02 1.0000000000d+00 1.0000000000d+00 7 2.1625076924d+02 1.0000000000d+00 1.0000000000d+00 8 1.1146213493d+02 1.0000000000d+00 1.0000000000d+00 9 5.9056850199d+01 1.0000000000d+00 1.0000000000d+00 10 3.1562465724d+01 1.0000000000d+00 1.0000000000d+00 11 1.6682338065d+01 1.0000000000d+00 1.0000000000d+00 12 8.8191384810d+00 1.0000000000d+00 1.0000000000d+00 13 4.5416399783d+00 1.0000000000d+00 1.0000000000d+00 14 2.2861491520d+00 1.0000000000d+00 1.0000000000d+00 15 1.0927009173d+00 1.0000000000d+00 1.0000000000d+00 16 4.4851576506d-01 1.0000000000d+00 1.0000000000d+00 17 1.6884467116d-01 1.0000000000d+00 1.0000000000d+00 18 5.6907003431d-02 1.0000000000d+00 1.0000000000d+00 D+ 1 2.4065057801d+04 1.0000000000d+00 1.0000000000d+00 2 6.9300305037d+03 1.0000000000d+00 1.0000000000d+00 3 2.6133653330d+03 1.0000000000d+00 1.0000000000d+00 4 1.1332675904d+03 1.0000000000d+00 1.0000000000d+00 5 5.3630892400d+02 1.0000000000d+00 1.0000000000d+00 6 2.6917382813d+02 1.0000000000d+00 1.0000000000d+00 7 1.4073136185d+02 1.0000000000d+00 1.0000000000d+00 8 7.5572240580d+01 1.0000000000d+00 1.0000000000d+00 9 4.1298003331d+01 1.0000000000d+00 1.0000000000d+00 10 2.2568584056d+01 1.0000000000d+00 1.0000000000d+00 11 1.2239873129d+01 1.0000000000d+00 1.0000000000d+00 12 6.6063394684d+00 1.0000000000d+00 1.0000000000d+00 13 3.4665873905d+00 1.0000000000d+00 1.0000000000d+00 14 1.7733702330d+00 1.0000000000d+00 1.0000000000d+00 15 8.5916417625d-01 1.0000000000d+00 1.0000000000d+00 16 3.4587111044d-01 1.0000000000d+00 1.0000000000d+00 17 1.3335706957d-01 1.0000000000d+00 1.0000000000d+00 18 4.7250678893d-02 1.0000000000d+00 1.0000000000d+00 F- 1 2.1165049439d+03 1.0000000000d+00 1.0000000000d+00 2 6.8566459618d+02 1.0000000000d+00 1.0000000000d+00 3 2.8403130815d+02 1.0000000000d+00 1.0000000000d+00 4 1.3306169969d+02 1.0000000000d+00 1.0000000000d+00 5 6.6179098717d+01 1.0000000000d+00 1.0000000000d+00 6 3.4220033770d+01 1.0000000000d+00 1.0000000000d+00 7 1.7865694121d+01 1.0000000000d+00 1.0000000000d+00 8 9.2878826055d+00 1.0000000000d+00 1.0000000000d+00 9 4.6948196503d+00 1.0000000000d+00 1.0000000000d+00 10 2.1963433163d+00 1.0000000000d+00 1.0000000000d+00 11 9.7423409055d-01 1.0000000000d+00 1.0000000000d+00 12 4.0001710515d-01 1.0000000000d+00 1.0000000000d+00 13 1.4259685780d-01 1.0000000000d+00 1.0000000000d+00 F+ 1 1.7063011529d+03 1.0000000000d+00 1.0000000000d+00 2 5.9044630438d+02 1.0000000000d+00 1.0000000000d+00 3 2.5338625017d+02 1.0000000000d+00 1.0000000000d+00 4 1.2124059710d+02 1.0000000000d+00 1.0000000000d+00 5 6.1179495901d+01 1.0000000000d+00 1.0000000000d+00 6 3.1914681287d+01 1.0000000000d+00 1.0000000000d+00 7 1.6735408059d+01 1.0000000000d+00 1.0000000000d+00 8 8.7216321838d+00 1.0000000000d+00 1.0000000000d+00 9 4.4099814340d+00 1.0000000000d+00 1.0000000000d+00 10 2.0542829360d+00 1.0000000000d+00 1.0000000000d+00 11 9.0650921767d-01 1.0000000000d+00 1.0000000000d+00 12 3.7026111097d-01 1.0000000000d+00 1.0000000000d+00 13 1.3121202903d-01 1.0000000000d+00 1.0000000000d+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ 7S+ -4.1677916d+03 -7.8201635d+02 -1.9970191d+02 -5.2154390d+01 -1.1996701d+01 -2.0492396d+00 -1.9834629d-01 ------------ ------------ ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 7.0181587d-04 -2.8967789d-04 1.4124626d-04 7.3148628d-05 3.5971967d-05 -1.5870157d-05 4.8513241d-06 2 1.5215915d-03 -6.3201513d-04 3.0849508d-04 1.5981163d-04 7.8596371d-05 -3.4673589d-05 1.0599549d-05 3 2.9961042d-03 -1.2527854d-03 6.1220125d-04 3.1721237d-04 1.5601562d-04 -6.8837296d-05 2.1042559d-05 4 5.3809253d-03 -2.2740690d-03 1.1132151d-03 5.7713102d-04 2.8389618d-04 -1.2523861d-04 3.8286119d-05 5 9.5565153d-03 -4.0872868d-03 2.0049376d-03 1.0397643d-03 5.1150767d-04 -2.2573338d-04 6.9001235d-05 6 1.6619405d-02 -7.2214261d-03 3.5512455d-03 1.8434201d-03 9.0710852d-04 -4.0010525d-04 1.2232374d-04 7 2.8861026d-02 -1.2767823d-02 6.2986371d-03 3.2705385d-03 1.6094461d-03 -7.1055800d-04 2.1718311d-04 8 4.9755914d-02 -2.2514293d-02 1.1146829d-02 5.7974512d-03 2.8543255d-03 -1.2585632d-03 3.8483586d-04 9 8.4667951d-02 -3.9455032d-02 1.9643215d-02 1.0220063d-02 5.0319520d-03 -2.2231530d-03 6.7941423d-04 10 1.3889455d-01 -6.7542394d-02 3.3878016d-02 1.7685373d-02 8.7161080d-03 -3.8412773d-03 1.1748518d-03 11 2.0807920d-01 -1.0816740d-01 5.5001298d-02 2.8755223d-02 1.4176016d-02 -6.2716162d-03 1.9162011d-03 12 2.5732560d-01 -1.4669556d-01 7.5931209d-02 4.0005374d-02 1.9766381d-02 -8.6990248d-03 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1.1637648d-04 2.8670633d-05 3 2.8705712d-03 1.6113539d-03 6.9780023d-04 1.7080096d-04 4 1.3140798d-02 7.4339235d-03 3.2318338d-03 7.9565989d-04 5 4.6968160d-02 2.6855824d-02 1.1681194d-02 2.8625758d-03 6 1.3001833d-01 7.5795891d-02 3.3173799d-02 8.1746824d-03 7 2.6374991d-01 1.5405638d-01 6.7311779d-02 1.6492375d-02 8 3.6090854d-01 1.9788419d-01 8.5336330d-02 2.1052957d-02 9 2.7792773d-01 4.8045541d-02 4.7714893d-03 2.9861059d-04 10 9.8984407d-02 -2.9120357d-01 -1.7142937d-01 -4.3287536d-02 11 1.1353335d-02 -4.8521105d-01 -2.8166073d-01 -7.2985561d-02 12 6.6289547d-04 -2.9105002d-01 -4.6846290d-02 -3.6626181d-03 13 -7.9542748d-05 -5.7372953d-02 4.0458196d-01 1.2259320d-01 14 3.9764872d-05 -1.5182990d-03 5.1236562d-01 1.6913676d-01 15 -2.0391091d-05 -1.6835241d-04 2.2171121d-01 -3.8794895d-02 16 7.5283600d-06 1.0600625d-04 2.1398313d-02 -3.7861318d-01 17 -2.9409902d-06 -2.8544872d-05 -9.0865029d-04 -5.1405467d-01 18 9.0983769d-07 9.5033109d-06 3.8067818d-04 -2.8523308d-01 *** Small Component *** 19 5.2084650d-05 2.8969088d-05 1.2503828d-05 3.0499539d-06 20 3.0555230d-04 1.7057771d-04 7.3989131d-05 1.8239531d-05 21 1.2468536d-03 6.9769270d-04 3.0188564d-04 7.3861136d-05 22 3.9821917d-03 2.2462544d-03 9.7597969d-04 2.4029523d-04 23 1.0115472d-02 5.7681444d-03 2.5073267d-03 6.1434258d-04 24 2.0224293d-02 1.1762050d-02 5.1454242d-03 1.2678924d-03 25 2.9974523d-02 1.7474448d-02 7.6320124d-03 1.8698125d-03 26 3.0229245d-02 1.6557333d-02 7.1396867d-03 1.7614009d-03 27 1.7263901d-02 3.0082108d-03 3.1331216d-04 2.3016468d-05 28 4.5493175d-03 -1.3330090d-02 -7.8445109d-03 -1.9806743d-03 29 3.8508673d-04 -1.6383994d-02 -9.5076396d-03 -2.4635965d-03 30 1.6128405d-05 -7.2250321d-03 -1.1652702d-03 -9.1797141d-05 31 -1.2497654d-06 -1.0315918d-03 7.2703373d-03 2.2028474d-03 32 4.2308882d-07 -1.9629560d-05 6.5867153d-03 2.1742117d-03 33 -1.4621533d-07 -1.4664616d-06 1.9840178d-03 -3.4704737d-04 34 2.9859854d-08 5.8770105d-07 1.2148692d-04 -2.1494643d-03 35 -5.3653903d-09 -9.5109497d-08 -3.2009212d-06 -1.8121785d-03 36 3.6337138d-10 1.8232060d-08 7.9804633d-07 -5.9853437d-04 4F- 5F- -1.4282868d+01 -2.9142171d-01 ------------ ------------ *** Large Component *** 1 1.9256072d-04 -5.5969870d-05 2 1.7933557d-03 -5.2207421d-04 3 1.0665520d-02 -3.1136053d-03 4 4.3665731d-02 -1.2773542d-02 5 1.2692456d-01 -3.7281767d-02 6 2.5958042d-01 -7.4778411d-02 7 3.5809517d-01 -9.4398738d-02 8 3.1723477d-01 -5.0035175d-02 9 1.4898315d-01 1.1944969d-01 10 2.3557219d-02 3.3441898d-01 11 -1.3410612d-04 4.1858338d-01 12 2.9261484d-04 3.1852132d-01 13 -5.3692571d-05 1.3392372d-01 *** Small Component *** 14 6.7039949d-05 -1.9487501d-05 15 4.4733283d-04 -1.3023282d-04 16 1.8516929d-03 -5.4057551d-04 17 5.3637428d-03 -1.5691426d-03 18 1.1157893d-02 -3.2776137d-03 19 1.6518532d-02 -4.7595911d-03 20 1.6518603d-02 -4.3557606d-03 21 1.0565512d-02 -1.6679947d-03 22 3.5283630d-03 2.8303227d-03 23 3.8047765d-04 5.4230955d-03 24 -1.8816476d-06 4.5217008d-03 25 1.9141614d-06 2.2049609d-03 26 -2.4232715d-07 5.5352919d-04 4F+ 5F+ -1.3898354d+01 -2.6932836d-01 ------------ ------------ *** Large Component *** 1 1.9265069d-04 -5.5109155d-05 2 1.9695951d-03 -5.6601284d-04 3 1.1777949d-02 -3.3875987d-03 4 4.7132749d-02 -1.3605448d-02 5 1.3403394d-01 -3.8793962d-02 6 2.6574750d-01 -7.5308744d-02 7 3.5919603d-01 -9.2510428d-02 8 3.0920136d-01 -4.3928768d-02 9 1.3924191d-01 1.2799764d-01 10 2.0610239d-02 3.4019959d-01 11 -1.7932632d-04 4.1440068d-01 12 2.6536872d-04 3.1431388d-01 13 -4.5302025d-05 1.3393987d-01 *** Small Component *** 14 7.8249950d-05 -2.2370947d-05 15 4.9837876d-04 -1.4317241d-04 16 2.0032945d-03 -5.7598102d-04 17 5.6137803d-03 -1.6200021d-03 18 1.1412830d-02 -3.3024201d-03 19 1.6396945d-02 -4.6457868d-03 20 1.6070998d-02 -4.1386204d-03 21 9.9946312d-03 -1.4206279d-03 22 3.2012419d-03 2.9408353d-03 23 3.2348860d-04 5.3366109d-03 24 -1.8884477d-06 4.3186699d-03 25 1.7748612d-06 2.0934889d-03 26 -1.8169198d-07 5.3107432d-04 * Radial Moments Sym Orb S+ 1 3.90516d+04 1.20092d+02 1.38786d-02 2.70170d-04 6.77474d-06 2.08033d-07 2 6.14143d+03 3.03011d+01 5.74772d-02 3.98503d-03 3.16423d-04 2.83743d-05 3 1.44762d+03 1.10505d+01 1.49458d-01 2.57268d-02 4.87503d-03 1.00688d-03 4 3.89464d+02 4.71963d+00 3.25503d-01 1.19679d-01 4.77805d-02 2.05192d-02 5 9.49658d+01 2.05722d+00 6.86977d-01 5.26995d-01 4.37294d-01 3.89484d-01 6 1.87073d+01 8.60426d-01 1.53544d+00 2.63428d+00 4.92961d+00 1.00121d+01 7 1.79191d+00 2.82889d-01 4.41700d+00 2.21325d+01 1.23824d+02 7.68654d+02 P- 1 1.95741d+03 3.02153d+01 4.66727d-02 2.75911d-03 1.96528d-04 1.63762d-05 2 4.77424d+02 1.09460d+01 1.40647d-01 2.31887d-02 4.25541d-03 8.59716d-04 3 1.27273d+02 4.60831d+00 3.24313d-01 1.19757d-01 4.82646d-02 2.10368d-02 4 2.96289d+01 1.94752d+00 7.16367d-01 5.75727d-01 5.02979d-01 4.74538d-01 5 5.21870d+00 7.67244d-01 1.70718d+00 3.27267d+00 6.88212d+00 1.57736d+01 P+ 1 6.94437d+02 2.24894d+01 5.67236d-02 3.92245d-03 3.20613d-04 3.02912d-05 2 1.72523d+02 8.91428d+00 1.58681d-01 2.92935d-02 5.99902d-03 1.34787d-03 3 4.71256d+01 3.93343d+00 3.59094d-01 1.46505d-01 6.51875d-02 3.13401d-02 4 1.11739d+01 1.70495d+00 7.91452d-01 7.02377d-01 6.77805d-01 7.06520d-01 5 1.88233d+00 6.62191d-01 1.94047d+00 4.24452d+00 1.02620d+01 2.73364d+01 D- 1 9.74945d+01 8.79695d+00 1.37150d-01 2.20826d-02 4.09430d-03 8.61555d-04 2 2.55021d+01 3.74549d+00 3.56775d-01 1.46691d-01 6.67167d-02 3.32323d-02 3 5.25134d+00 1.48112d+00 8.92870d-01 9.05424d-01 1.01418d+00 1.24897d+00 4 4.34973d-01 4.02261d-01 3.20094d+00 1.21038d+01 5.31087d+01 2.66478d+02 D+ 1 8.65305d+01 8.38115d+00 1.42501d-01 2.37122d-02 4.52953d-03 9.80097d-04 2 2.26702d+01 3.60051d+00 3.67478d-01 1.55384d-01 7.26428d-02 3.71788d-02 3 4.65514d+00 1.42690d+00 9.20919d-01 9.62891d-01 1.11236d+00 1.41333d+00 4 3.74650d-01 3.83409d-01 3.34332d+00 1.32101d+01 6.06973d+01 3.20166d+02 F- 1 1.33492d+01 3.31584d+00 3.58981d-01 1.50988d-01 7.34314d-02 4.08310d-02 2 1.37209d+00 8.81648d-01 1.51502d+00 2.84281d+00 6.52084d+00 1.80689d+01 F+ 1 1.28708d+01 3.26147d+00 3.64320d-01 1.55359d-01 7.65614d-02 4.31235d-02 2 1.29833d+00 8.59202d-01 1.55803d+00 3.02118d+00 7.19953d+00 2.08139d+01 ------------------------------------------------------------------------------ Uranium [Rn]7s(2)5f(3)6d(1) Nuclear Charge = 92.0000000000 Atomic Mass = 238.0000000000 Nuclear Radius = 1.402985d-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ F- F+ Number of Closed Shells 7 5 5 3 3 1 1 Open Shells 0 0 0 1 1 1 1 Conf Weight Open Shell Occupation Numbers 1 0.02197802 0.0 0.0 0.0 1.0 0.0 3.0 0.0 2 0.13186813 0.0 0.0 0.0 1.0 0.0 2.0 1.0 3 0.18461538 0.0 0.0 0.0 1.0 0.0 1.0 2.0 4 0.06153846 0.0 0.0 0.0 1.0 0.0 0.0 3.0 5 0.03296703 0.0 0.0 0.0 0.0 1.0 3.0 0.0 6 0.19780220 0.0 0.0 0.0 0.0 1.0 2.0 1.0 7 0.27692308 0.0 0.0 0.0 0.0 1.0 1.0 2.0 8 0.09230769 0.0 0.0 0.0 0.0 1.0 0.0 3.0 * Energies Total Energy = -2.805264963741367d+04 Mass Energy = -2.802716576728595d+04 Kinetic Energy = 6.231191609834882d+04 Potential Energy = -6.233739996847654d+04 Correction to Virial = 2.548749080207863d+01 Virials -/ = 1.000408972660823d+00 -(CORR )/ = -4.090307664725144d-04 -[+(CORR )]/ = 9.999999418943505d-01 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 3.7939215014d+07 1.0000000000d+00 1.0000000000d+00 2 8.8420632609d+06 1.0000000000d+00 1.0000000000d+00 3 2.8407038540d+06 1.0000000000d+00 1.0000000000d+00 4 1.0277604078d+06 1.0000000000d+00 1.0000000000d+00 5 4.1370007537d+05 1.0000000000d+00 1.0000000000d+00 6 1.7772325150d+05 1.0000000000d+00 1.0000000000d+00 7 8.0913157350d+04 1.0000000000d+00 1.0000000000d+00 8 3.8365491908d+04 1.0000000000d+00 1.0000000000d+00 9 1.8780606306d+04 1.0000000000d+00 1.0000000000d+00 10 9.3804935717d+03 1.0000000000d+00 1.0000000000d+00 11 4.7489502422d+03 1.0000000000d+00 1.0000000000d+00 12 2.4281016025d+03 1.0000000000d+00 1.0000000000d+00 13 1.2535850507d+03 1.0000000000d+00 1.0000000000d+00 14 6.5351719900d+02 1.0000000000d+00 1.0000000000d+00 15 3.4564660511d+02 1.0000000000d+00 1.0000000000d+00 16 1.8580825861d+02 1.0000000000d+00 1.0000000000d+00 17 1.0088806682d+02 1.0000000000d+00 1.0000000000d+00 18 5.6269205898d+01 1.0000000000d+00 1.0000000000d+00 19 3.1241972057d+01 1.0000000000d+00 1.0000000000d+00 20 1.6333560799d+01 1.0000000000d+00 1.0000000000d+00 21 9.1096096123d+00 1.0000000000d+00 1.0000000000d+00 22 4.6143749970d+00 1.0000000000d+00 1.0000000000d+00 23 2.5961271963d+00 1.0000000000d+00 1.0000000000d+00 24 1.3663274202d+00 1.0000000000d+00 1.0000000000d+00 25 6.2785142595d-01 1.0000000000d+00 1.0000000000d+00 26 2.9102169131d-01 1.0000000000d+00 1.0000000000d+00 27 6.8119776941d-02 1.0000000000d+00 1.0000000000d+00 28 2.7376341008d-02 1.0000000000d+00 1.0000000000d+00 P- 1 2.8949089681d+07 1.0000000000d+00 1.0000000000d+00 2 6.9522278734d+06 1.0000000000d+00 1.0000000000d+00 3 1.9097312591d+06 1.0000000000d+00 1.0000000000d+00 4 5.7708250622d+05 1.0000000000d+00 1.0000000000d+00 5 1.8783489370d+05 1.0000000000d+00 1.0000000000d+00 6 6.5133013640d+04 1.0000000000d+00 1.0000000000d+00 7 2.3918435190d+04 1.0000000000d+00 1.0000000000d+00 8 9.2751973583d+03 1.0000000000d+00 1.0000000000d+00 9 3.7952116538d+03 1.0000000000d+00 1.0000000000d+00 10 1.6360840202d+03 1.0000000000d+00 1.0000000000d+00 11 7.3916749683d+02 1.0000000000d+00 1.0000000000d+00 12 3.4775059453d+02 1.0000000000d+00 1.0000000000d+00 13 1.6902233327d+02 1.0000000000d+00 1.0000000000d+00 14 8.2819720115d+01 1.0000000000d+00 1.0000000000d+00 15 4.1953782057d+01 1.0000000000d+00 1.0000000000d+00 16 1.9989949793d+01 1.0000000000d+00 1.0000000000d+00 17 1.0022538029d+01 1.0000000000d+00 1.0000000000d+00 18 4.2566065267d+00 1.0000000000d+00 1.0000000000d+00 19 2.0487476685d+00 1.0000000000d+00 1.0000000000d+00 20 7.0322660898d-01 1.0000000000d+00 1.0000000000d+00 21 2.7424427942d-01 1.0000000000d+00 1.0000000000d+00 P+ 1 1.5180518278d+06 1.0000000000d+00 1.0000000000d+00 2 3.0936771495d+05 1.0000000000d+00 1.0000000000d+00 3 8.9200566813d+04 1.0000000000d+00 1.0000000000d+00 4 3.0908123615d+04 1.0000000000d+00 1.0000000000d+00 5 1.2062981877d+04 1.0000000000d+00 1.0000000000d+00 6 5.1299518988d+03 1.0000000000d+00 1.0000000000d+00 7 2.3288353211d+03 1.0000000000d+00 1.0000000000d+00 8 1.1125664615d+03 1.0000000000d+00 1.0000000000d+00 9 5.5301200017d+02 1.0000000000d+00 1.0000000000d+00 10 2.8391149337d+02 1.0000000000d+00 1.0000000000d+00 11 1.4903130614d+02 1.0000000000d+00 1.0000000000d+00 12 7.8511169283d+01 1.0000000000d+00 1.0000000000d+00 13 4.2526500830d+01 1.0000000000d+00 1.0000000000d+00 14 2.2883106922d+01 1.0000000000d+00 1.0000000000d+00 15 1.2206523953d+01 1.0000000000d+00 1.0000000000d+00 16 6.5358324344d+00 1.0000000000d+00 1.0000000000d+00 17 3.3334586841d+00 1.0000000000d+00 1.0000000000d+00 18 1.6746805718d+00 1.0000000000d+00 1.0000000000d+00 19 7.2553777884d-01 1.0000000000d+00 1.0000000000d+00 20 3.3197718844d-01 1.0000000000d+00 1.0000000000d+00 21 1.3411264754d-01 1.0000000000d+00 1.0000000000d+00 D- 1 7.4166800661d+04 1.0000000000d+00 1.0000000000d+00 2 1.7412252025d+04 1.0000000000d+00 1.0000000000d+00 3 5.6086776460d+03 1.0000000000d+00 1.0000000000d+00 4 2.1577981560d+03 1.0000000000d+00 1.0000000000d+00 5 9.3471182432d+02 1.0000000000d+00 1.0000000000d+00 6 4.3873445978d+02 1.0000000000d+00 1.0000000000d+00 7 2.1824337831d+02 1.0000000000d+00 1.0000000000d+00 8 1.1275785315d+02 1.0000000000d+00 1.0000000000d+00 9 5.9886527426d+01 1.0000000000d+00 1.0000000000d+00 10 3.2076903623d+01 1.0000000000d+00 1.0000000000d+00 11 1.6993889946d+01 1.0000000000d+00 1.0000000000d+00 12 9.0142725425d+00 1.0000000000d+00 1.0000000000d+00 13 4.6616605259d+00 1.0000000000d+00 1.0000000000d+00 14 2.3536548401d+00 1.0000000000d+00 1.0000000000d+00 15 1.1259646962d+00 1.0000000000d+00 1.0000000000d+00 16 4.5795699372d-01 1.0000000000d+00 1.0000000000d+00 17 1.7189123365d-01 1.0000000000d+00 1.0000000000d+00 18 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-5.1061995d-04 2.4347000d-04 -9.5512393d-05 26 4.7284651d-03 -2.5839318d-03 -1.3582559d-03 6.5035283d-04 -2.5491367d-04 27 1.1055339d-02 -6.1099676d-03 -3.2186488d-03 1.5364733d-03 -6.0286782d-04 28 2.2674266d-02 -1.2775741d-02 -6.7694181d-03 3.2480908d-03 -1.2736844d-03 29 3.9187445d-02 -2.2860384d-02 -1.2212917d-02 5.8493029d-03 -2.2970758d-03 30 5.2853660d-02 -3.2293783d-02 -1.7503324d-02 8.4567729d-03 -3.3196292d-03 31 4.8113391d-02 -2.9642242d-02 -1.6022887d-02 7.6670972d-03 -3.0152893d-03 32 2.3697251d-02 -3.7725044d-03 2.1842847d-04 -3.3776886d-04 1.6668805d-04 33 4.3624913d-03 2.8036993d-02 2.3959424d-02 -1.3062945d-02 5.2454940d-03 34 9.1644582d-05 2.7380819d-02 2.3980611d-02 -1.2706137d-02 5.1273977d-03 35 2.3516013d-05 7.8222263d-03 -5.1069527d-03 4.7124089d-03 -2.1316942d-03 36 -1.3233242d-05 4.7346778d-04 -1.9499959d-02 1.7208695d-02 -7.6506799d-03 37 4.2808748d-06 2.4011388d-05 -7.7514085d-03 4.7668293d-03 -1.9264295d-03 38 -1.4190110d-06 -8.4743179d-06 -6.1821461d-04 -9.8788294d-03 6.3465258d-03 39 5.4640929d-07 1.5266573d-06 -2.7166406d-06 -5.9415652d-03 3.9551262d-03 40 -1.4354841d-07 -5.1460103d-07 -5.1618201d-07 -5.2742869d-04 -2.8275333d-03 41 4.2901445d-08 1.3959241d-07 2.4861188d-07 1.7912975d-05 -3.1133740d-03 42 -7.3641646d-09 -1.8632976d-08 -4.0773203d-08 -2.5911551d-06 -5.6678301d-04 3D- 4D- 5D- 6D- -1.3901744d+02 -2.9732684d+01 -4.3504052d+00 -1.9214798d-01 ------------ ------------ ------------ ------------ *** Large Component *** 1 7.5352222d-05 -4.2069425d-05 1.8528939d-05 4.6495158d-06 2 3.8217035d-04 -2.1386579d-04 9.4415305d-05 2.3745111d-05 3 1.7111836d-03 -9.5959041d-04 4.2274271d-04 1.0599972d-04 4 7.1196989d-03 -4.0190097d-03 1.7785561d-03 4.4766249d-04 5 2.6389070d-02 -1.5003868d-02 6.6295310d-03 1.6627654d-03 6 8.1551979d-02 -4.7124155d-02 2.0970592d-02 5.2834602d-03 7 1.9679865d-01 -1.1520466d-01 5.1212461d-02 1.2850414d-02 8 3.3534216d-01 -1.9293381d-01 8.5945744d-02 2.1691440d-02 9 3.5038505d-01 -1.5483956d-01 6.1417471d-02 1.4971908d-02 10 1.8037637d-01 1.4410685d-01 -9.7373316d-02 -2.5456579d-02 11 3.3888022d-02 4.6942853d-01 -2.7999096d-01 -7.4228865d-02 12 1.3272758d-03 4.0571260d-01 -1.8476669d-01 -4.3751682d-02 13 1.6721361d-04 1.1488106d-01 2.9603805d-01 9.5014892d-02 14 -5.6280296d-05 5.3634040d-03 5.6179566d-01 1.8888546d-01 15 1.3584402d-05 4.6341792d-04 3.0173619d-01 1.9837264d-02 16 -4.9962502d-06 -2.2509627d-04 3.7137790d-02 -3.3974001d-01 17 1.5959121d-06 6.9727826d-05 -1.4422342d-03 -5.3514598d-01 18 -4.6114466d-07 -2.1251294d-05 5.5312789d-04 -3.3561293d-01 *** Small Component *** 19 2.8745720d-05 -1.6059803d-05 7.0530600d-06 1.7634247d-06 20 1.6170594d-04 -9.0721096d-05 4.0150230d-05 1.0121697d-05 21 6.8533351d-04 -3.8473091d-04 1.6936080d-04 4.2415413d-05 22 2.3699306d-03 -1.3390302d-03 5.9296772d-04 1.4933936d-04 23 6.7297545d-03 -3.8277755d-03 1.6911059d-03 4.2404335d-04 24 1.5362446d-02 -8.8797059d-03 3.9521691d-03 9.9586683d-04 25 2.7113925d-02 -1.5883723d-02 7.0616580d-03 1.7718610d-03 26 3.3803252d-02 -1.9476105d-02 8.6790961d-03 2.1906771d-03 27 2.5937477d-02 -1.1506473d-02 4.5715947d-03 1.1147503d-03 28 9.7612534d-03 7.8318456d-03 -5.2904039d-03 -1.3829587d-03 29 1.2959841d-03 1.8648391d-02 -1.1121674d-02 -2.9484975d-03 30 1.2808625d-05 1.1748378d-02 -5.3550895d-03 -1.2684125d-03 31 -8.5242263d-06 2.3890199d-03 6.1648142d-03 1.9785521d-03 32 -6.0217968d-06 7.6413870d-05 8.3181755d-03 2.7967594d-03 33 -2.2962968d-06 3.3556147d-06 3.0899323d-03 2.0325047d-04 34 -9.7517035d-07 -2.0272473d-06 2.4222027d-04 -2.2193282d-03 35 -2.7240704d-07 1.1984992d-07 -5.9029088d-06 -2.1417863d-03 36 -1.0073879d-07 -1.0817312d-07 1.2403727d-06 -7.7901993d-04 3D+ 4D+ 5D+ 6D+ -1.3241774d+02 -2.8129558d+01 -4.0406981d+00 -1.8294862d-01 ------------ ------------ ------------ ------------ *** Large Component *** 1 5.5833326d-05 3.1316690d-05 1.3708365d-05 3.3245594d-06 2 4.9485765d-04 2.7851665d-04 1.2231270d-04 2.9905519d-05 3 2.9598058d-03 1.6706750d-03 7.3266821d-04 1.7796852d-04 4 1.3477615d-02 7.6662121d-03 3.3737089d-03 8.2434894d-04 5 4.7913686d-02 2.7554542d-02 1.2137845d-02 2.9518307d-03 6 1.3202425d-01 7.7395361d-02 3.4293429d-02 8.3875989d-03 7 2.6622911d-01 1.5630842d-01 6.9167700d-02 1.6817276d-02 8 3.6111239d-01 1.9828082d-01 8.6402599d-02 2.1155348d-02 9 2.7481422d-01 4.2666093d-02 1.7043401d-03 -5.2291859d-04 10 9.6301608d-02 -2.9853378d-01 -1.7849339d-01 -4.4773717d-02 11 1.0736628d-02 -4.8518954d-01 -2.8576281d-01 -7.3622986d-02 12 6.5038200d-04 -2.8393352d-01 -3.5759941d-02 -1.4351462d-05 13 -9.9494611d-05 -5.4177382d-02 4.1818737d-01 1.2629548d-01 14 4.1362966d-05 -1.4808922d-03 5.0676447d-01 1.6586561d-01 15 -2.3225133d-05 -1.3959313d-04 2.1093461d-01 -4.9025482d-02 16 7.5719362d-06 8.2573866d-05 1.9520743d-02 -3.8286474d-01 17 -3.0925833d-06 -2.1822087d-05 -7.8227921d-04 -5.0989136d-01 18 9.5031442d-07 7.3538894d-06 3.4012017d-04 -2.8284874d-01 *** Small Component *** 19 5.3802847d-05 3.0088618d-05 1.3154407d-05 3.1840256d-06 20 3.1666653d-04 1.7770563d-04 7.8008156d-05 1.9085295d-05 21 1.2909671d-03 7.2634033d-04 3.1826790d-04 7.7274510d-05 22 4.1053183d-03 2.3282061d-03 1.0239615d-03 2.5021478d-04 23 1.0382603d-02 5.9542240d-03 2.6211489d-03 6.3733498d-04 24 2.0678052d-02 1.2092412d-02 5.3553540d-03 1.3097828d-03 25 3.0478598d-02 1.7859425d-02 7.8996413d-03 1.9205460d-03 26 3.0485614d-02 1.6721775d-02 7.2861694d-03 1.7839941d-03 27 1.7211627d-02 2.6981214d-03 1.2539929d-04 -2.7855554d-05 28 4.4642398d-03 -1.3782546d-02 -8.2374821d-03 -2.0661562d-03 29 3.6783871d-04 -1.6545310d-02 -9.7414461d-03 -2.5096740d-03 30 1.5992264d-05 -7.1280096d-03 -9.0050833d-04 -1.3806674d-06 31 -1.6282830d-06 -9.8719252d-04 7.6154788d-03 2.2997601d-03 32 4.4989398d-07 -1.9434372d-05 6.6119791d-03 2.1639924d-03 33 -1.7450366d-07 -1.2283756d-06 1.9171314d-03 -4.4544842d-04 34 3.0726155d-08 4.6100652d-07 1.1230244d-04 -2.2025395d-03 35 -6.0552965d-09 -7.2307472d-08 -2.7850252d-06 -1.8168163d-03 36 4.7673291d-10 1.3875344d-08 7.1891119d-07 -5.9850463d-04 4F- 5F- -1.5203561d+01 -3.4627578d-01 ------------ ------------ *** Large Component *** 1 2.0938772d-04 -6.4127750d-05 2 1.9210759d-03 -5.8867840d-04 3 1.1372491d-02 -3.4980962d-03 4 4.5971296d-02 -1.4160521d-02 5 1.3192757d-01 -4.0835080d-02 6 2.6605213d-01 -8.0484094d-02 7 3.6108326d-01 -9.9421211d-02 8 3.0999675d-01 -4.5847876d-02 9 1.3877554d-01 1.3672047d-01 10 2.0806533d-02 3.4931386d-01 11 -2.0354510d-06 4.1235021d-01 12 2.6119275d-04 2.9775685d-01 13 -2.9180288d-05 1.1636207d-01 *** Small Component *** 14 7.2790959d-05 -2.2301021d-05 15 4.7968880d-04 -1.4698989d-04 16 1.9771636d-03 -6.0818651d-04 17 5.6581408d-03 -1.7429573d-03 18 1.1632931d-02 -3.6009547d-03 19 1.6996532d-02 -5.1428534d-03 20 1.6727137d-02 -4.6071162d-03 21 1.0379491d-02 -1.5368866d-03 22 3.3135088d-03 3.2664111d-03 23 3.4070404d-04 5.7467280d-03 24 -4.7843739d-07 4.5546550d-03 25 1.7469666d-06 2.1285278d-03 26 -1.4957592d-07 5.0264697d-04 4F+ 5F+ -1.4791354d+01 -3.1882424d-01 ------------ ------------ *** Large Component *** 1 2.1308937d-04 -6.4333071d-05 2 2.1542555d-03 -6.5145003d-04 3 1.2721179d-02 -3.8587615d-03 4 5.0265611d-02 -1.5278916d-02 5 1.4110897d-01 -4.3069308d-02 6 2.7427217d-01 -8.1521213d-02 7 3.6218481d-01 -9.7236032d-02 8 2.9941646d-01 -3.6988946d-02 9 1.2662724d-01 1.4792920d-01 10 1.7406755d-02 3.5432673d-01 11 3.5336388d-05 4.0670360d-01 12 2.0409726d-04 2.9246864d-01 13 -1.2123402d-05 1.1569938d-01 *** Small Component *** 14 8.6158230d-05 -2.6000385d-05 15 5.4316040d-04 -1.6418382d-04 16 2.1587039d-03 -6.5456600d-04 17 5.9773357d-03 -1.8163041d-03 18 1.2001362d-02 -3.6620918d-03 19 1.6906825d-02 -5.0242015d-03 20 1.6194080d-02 -4.3471935d-03 21 9.6816943d-03 -1.1969672d-03 22 2.9198589d-03 3.4088776d-03 23 2.7623804d-04 5.6194078d-03 24 3.5185268d-07 4.3227053d-03 25 1.4095139d-06 2.0067890d-03 26 -5.2756308d-08 4.7859473d-04 * Radial Moments Sym Orb S+ 1 4.09113d+04 1.22423d+02 1.36577d-02 2.62011d-04 6.47993d-06 1.96351d-07 2 6.49581d+03 3.09619d+01 5.65271d-02 3.85751d-03 3.01573d-04 2.66310d-05 3 1.53454d+03 1.12788d+01 1.47044d-01 2.49097d-02 4.64559d-03 9.44341d-04 4 4.14786d+02 4.82024d+00 3.19828d-01 1.15553d-01 4.53263d-02 1.91208d-02 5 1.02490d+02 2.11062d+00 6.71977d-01 5.04259d-01 4.09197d-01 3.56286d-01 6 2.03759d+01 8.84767d-01 1.49700d+00 2.50454d+00 4.57074d+00 9.05373d+00 7 1.89586d+00 2.87700d-01 4.34271d+00 2.14094d+01 1.17958d+02 7.21752d+02 P- 1 2.07643d+03 3.08801d+01 4.58332d-02 2.66434d-03 1.86740d-04 1.53182d-05 2 5.08192d+02 1.11749d+01 1.38283d-01 2.24247d-02 4.04803d-03 8.04511d-04 3 1.36170d+02 4.70908d+00 3.18405d-01 1.15446d-01 4.56764d-02 1.95396d-02 4 3.21636d+01 2.00094d+00 6.99629d-01 5.49156d-01 4.68398d-01 4.31231d-01 5 5.71464d+00 7.90156d-01 1.66165d+00 3.10115d+00 6.34952d+00 1.41704d+01 P+ 1 7.12532d+02 2.27759d+01 5.60211d-02 3.82630d-03 3.08930d-04 2.88312d-05 2 1.77638d+02 9.04174d+00 1.56544d-01 2.85137d-02 5.76127d-03 1.27702d-03 3 4.88058d+01 4.00031d+00 3.53443d-01 1.41932d-01 6.21444d-02 2.93906d-02 4 1.17423d+01 1.74510d+00 7.74687d-01 6.72955d-01 6.35462d-01 6.47880d-01 5 1.98199d+00 6.77945d-01 1.89755d+00 4.06040d+00 9.60751d+00 2.50595d+01 D- 1 1.00390d+02 8.92452d+00 1.35209d-01 2.14624d-02 3.92283d-03 8.13678d-04 2 2.64495d+01 3.81355d+00 3.50567d-01 1.41615d-01 6.32548d-02 3.09282d-02 3 5.55531d+00 1.52226d+00 8.70108d-01 8.59743d-01 9.37816d-01 1.12402d+00 4 4.55739d-01 4.11080d-01 3.13973d+00 1.16758d+01 5.05119d+01 2.50430d+02 D+ 1 8.88407d+01 8.49274d+00 1.40611d-01 2.30846d-02 4.34999d-03 9.28373d-04 2 2.34488d+01 3.66289d+00 3.61279d-01 1.50161d-01 6.89759d-02 3.46680d-02 3 4.91135d+00 1.46549d+00 8.97883d-01 9.15217d-01 1.03016d+00 1.27459d+00 4 3.89914d-01 3.90905d-01 3.28618d+00 1.27952d+01 5.80782d+01 3.03233d+02 F- 1 1.38788d+01 3.38296d+00 3.51405d-01 1.44490d-01 6.86066d-02 3.71989d-02 2 1.53973d+00 9.36187d-01 1.42137d+00 2.48509d+00 5.27777d+00 1.34990d+01 F+ 1 1.33716d+01 3.32649d+00 3.56710d-01 1.48730d-01 7.15677d-02 3.93114d-02 2 1.45664d+00 9.12418d-01 1.46116d+00 2.63853d+00 5.81872d+00 1.55254d+01 ------------------------------------------------------------------------------ Neptunium [Rn]7s(2)6d(1)5f(4) Nuclear Charge = 93.0000000000 Atomic Mass = 237.0000000000 Nuclear Radius = 1.401212d-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ F- F+ Number of Closed Shells 7 5 5 3 3 1 1 Open Shells 0 0 0 1 1 1 1 Conf Weight Open Shell Occupation Numbers 1 0.00599401 0.0 0.0 0.0 1.0 0.0 4.0 0.0 2 0.06393606 0.0 0.0 0.0 1.0 0.0 3.0 1.0 3 0.16783217 0.0 0.0 0.0 1.0 0.0 2.0 2.0 4 0.13426573 0.0 0.0 0.0 1.0 0.0 1.0 3.0 5 0.02797203 0.0 0.0 0.0 1.0 0.0 0.0 4.0 6 0.00899101 0.0 0.0 0.0 0.0 1.0 4.0 0.0 7 0.09590410 0.0 0.0 0.0 0.0 1.0 3.0 1.0 8 0.25174825 0.0 0.0 0.0 0.0 1.0 2.0 2.0 9 0.20139860 0.0 0.0 0.0 0.0 1.0 1.0 3.0 10 0.04195804 0.0 0.0 0.0 0.0 1.0 0.0 4.0 * Energies Total Energy = -2.884679347375620d+04 Mass Energy = -2.881885257507531d+04 Kinetic Energy = 6.427902805226023d+04 Potential Energy = -6.430696895094113d+04 Correction to Virial = 2.794467717561439d+01 Virials -/ = 1.000434681412080d+00 -(CORR )/ = -4.347401947785328d-04 -[+(CORR )]/ = 9.999999412173016d-01 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 3.8078946800d+07 1.0000000000d+00 1.0000000000d+00 2 8.8694957961d+06 1.0000000000d+00 1.0000000000d+00 3 2.8477923011d+06 1.0000000000d+00 1.0000000000d+00 4 1.0294295457d+06 1.0000000000d+00 1.0000000000d+00 5 4.1403435758d+05 1.0000000000d+00 1.0000000000d+00 6 1.7774502747d+05 1.0000000000d+00 1.0000000000d+00 7 8.0898798130d+04 1.0000000000d+00 1.0000000000d+00 8 3.8351555653d+04 1.0000000000d+00 1.0000000000d+00 9 1.8769979229d+04 1.0000000000d+00 1.0000000000d+00 10 9.3788838894d+03 1.0000000000d+00 1.0000000000d+00 11 4.7571260752d+03 1.0000000000d+00 1.0000000000d+00 12 2.4402583861d+03 1.0000000000d+00 1.0000000000d+00 13 1.2646602425d+03 1.0000000000d+00 1.0000000000d+00 14 6.6158859506d+02 1.0000000000d+00 1.0000000000d+00 15 3.5120286726d+02 1.0000000000d+00 1.0000000000d+00 16 1.8924207454d+02 1.0000000000d+00 1.0000000000d+00 17 1.0287977218d+02 1.0000000000d+00 1.0000000000d+00 18 5.7533419104d+01 1.0000000000d+00 1.0000000000d+00 19 3.1977424411d+01 1.0000000000d+00 1.0000000000d+00 20 1.6719939417d+01 1.0000000000d+00 1.0000000000d+00 21 9.3447016237d+00 1.0000000000d+00 1.0000000000d+00 22 4.7326370947d+00 1.0000000000d+00 1.0000000000d+00 23 2.6511126702d+00 1.0000000000d+00 1.0000000000d+00 24 1.3824732881d+00 1.0000000000d+00 1.0000000000d+00 25 6.5100203990d-01 1.0000000000d+00 1.0000000000d+00 26 3.0159371060d-01 1.0000000000d+00 1.0000000000d+00 27 7.0260475652d-02 1.0000000000d+00 1.0000000000d+00 28 2.8091478487d-02 1.0000000000d+00 1.0000000000d+00 P- 1 2.9688777185d+07 1.0000000000d+00 1.0000000000d+00 2 7.1996495716d+06 1.0000000000d+00 1.0000000000d+00 3 1.9901927292d+06 1.0000000000d+00 1.0000000000d+00 4 6.0477386320d+05 1.0000000000d+00 1.0000000000d+00 5 1.9758092908d+05 1.0000000000d+00 1.0000000000d+00 6 6.8665030428d+04 1.0000000000d+00 1.0000000000d+00 7 2.5237975028d+04 1.0000000000d+00 1.0000000000d+00 8 9.7845603352d+03 1.0000000000d+00 1.0000000000d+00 9 3.9995625500d+03 1.0000000000d+00 1.0000000000d+00 10 1.7214821663d+03 1.0000000000d+00 1.0000000000d+00 11 7.7636531532d+02 1.0000000000d+00 1.0000000000d+00 12 3.6459335700d+02 1.0000000000d+00 1.0000000000d+00 13 1.7702601765d+02 1.0000000000d+00 1.0000000000d+00 14 8.6539247915d+01 1.0000000000d+00 1.0000000000d+00 15 4.3785554236d+01 1.0000000000d+00 1.0000000000d+00 16 2.0844144042d+01 1.0000000000d+00 1.0000000000d+00 17 1.0466630510d+01 1.0000000000d+00 1.0000000000d+00 18 4.4580994653d+00 1.0000000000d+00 1.0000000000d+00 19 2.1509162331d+00 1.0000000000d+00 1.0000000000d+00 20 7.4074751174d-01 1.0000000000d+00 1.0000000000d+00 21 2.8818758560d-01 1.0000000000d+00 1.0000000000d+00 P+ 1 1.5653245462d+06 1.0000000000d+00 1.0000000000d+00 2 3.1881872709d+05 1.0000000000d+00 1.0000000000d+00 3 9.1872390486d+04 1.0000000000d+00 1.0000000000d+00 4 3.1806186170d+04 1.0000000000d+00 1.0000000000d+00 5 1.2415606719d+04 1.0000000000d+00 1.0000000000d+00 6 5.2791602835d+03 1.0000000000d+00 1.0000000000d+00 7 2.3957633685d+03 1.0000000000d+00 1.0000000000d+00 8 1.1443158335d+03 1.0000000000d+00 1.0000000000d+00 9 5.6876346456d+02 1.0000000000d+00 1.0000000000d+00 10 2.9204351737d+02 1.0000000000d+00 1.0000000000d+00 11 1.5334466700d+02 1.0000000000d+00 1.0000000000d+00 12 8.0797600179d+01 1.0000000000d+00 1.0000000000d+00 13 4.3773452581d+01 1.0000000000d+00 1.0000000000d+00 14 2.3568360101d+01 1.0000000000d+00 1.0000000000d+00 15 1.2590049308d+01 1.0000000000d+00 1.0000000000d+00 16 6.7525274338d+00 1.0000000000d+00 1.0000000000d+00 17 3.4585819470d+00 1.0000000000d+00 1.0000000000d+00 18 1.7398183506d+00 1.0000000000d+00 1.0000000000d+00 19 7.5401624036d-01 1.0000000000d+00 1.0000000000d+00 20 3.4382433819d-01 1.0000000000d+00 1.0000000000d+00 21 1.3866052175d-01 1.0000000000d+00 1.0000000000d+00 D- 1 7.8565159566d+04 1.0000000000d+00 1.0000000000d+00 2 1.8431614274d+04 1.0000000000d+00 1.0000000000d+00 3 5.9361185258d+03 1.0000000000d+00 1.0000000000d+00 4 2.2748516027d+03 1.0000000000d+00 1.0000000000d+00 5 9.8180949161d+02 1.0000000000d+00 1.0000000000d+00 6 4.5957432793d+02 1.0000000000d+00 1.0000000000d+00 7 2.2802307349d+02 1.0000000000d+00 1.0000000000d+00 8 1.1758404946d+02 1.0000000000d+00 1.0000000000d+00 9 6.2365338423d+01 1.0000000000d+00 1.0000000000d+00 10 3.3379919188d+01 1.0000000000d+00 1.0000000000d+00 11 1.7681978394d+01 1.0000000000d+00 1.0000000000d+00 12 9.3871848872d+00 1.0000000000d+00 1.0000000000d+00 13 4.8572981998d+00 1.0000000000d+00 1.0000000000d+00 14 2.4547450942d+00 1.0000000000d+00 1.0000000000d+00 15 1.1732915605d+00 1.0000000000d+00 1.0000000000d+00 16 4.7329899937d-01 1.0000000000d+00 1.0000000000d+00 17 1.7641456943d-01 1.0000000000d+00 1.0000000000d+00 18 5.8918537792d-02 1.0000000000d+00 1.0000000000d+00 D+ 1 2.4837341975d+04 1.0000000000d+00 1.0000000000d+00 2 7.1360621815d+03 1.0000000000d+00 1.0000000000d+00 3 2.6916862140d+03 1.0000000000d+00 1.0000000000d+00 4 1.1689046927d+03 1.0000000000d+00 1.0000000000d+00 5 5.5411296135d+02 1.0000000000d+00 1.0000000000d+00 6 2.7857344460d+02 1.0000000000d+00 1.0000000000d+00 7 1.4585929441d+02 1.0000000000d+00 1.0000000000d+00 8 7.8461162639d+01 1.0000000000d+00 1.0000000000d+00 9 4.2921336742d+01 1.0000000000d+00 1.0000000000d+00 10 2.3481737672d+01 1.0000000000d+00 1.0000000000d+00 11 1.2789348599d+01 1.0000000000d+00 1.0000000000d+00 12 6.9354082482d+00 1.0000000000d+00 1.0000000000d+00 13 3.6629853744d+00 1.0000000000d+00 1.0000000000d+00 14 1.8821292699d+00 1.0000000000d+00 1.0000000000d+00 15 9.1320567474d-01 1.0000000000d+00 1.0000000000d+00 16 3.6406380327d-01 1.0000000000d+00 1.0000000000d+00 17 1.3872364123d-01 1.0000000000d+00 1.0000000000d+00 18 4.8628154130d-02 1.0000000000d+00 1.0000000000d+00 F- 1 2.1973594269d+03 1.0000000000d+00 1.0000000000d+00 2 7.1541870079d+02 1.0000000000d+00 1.0000000000d+00 3 2.9615587161d+02 1.0000000000d+00 1.0000000000d+00 4 1.3888430546d+02 1.0000000000d+00 1.0000000000d+00 5 6.9153967046d+01 1.0000000000d+00 1.0000000000d+00 6 3.5801936734d+01 1.0000000000d+00 1.0000000000d+00 7 1.8720210289d+01 1.0000000000d+00 1.0000000000d+00 8 9.7645628122d+00 1.0000000000d+00 1.0000000000d+00 9 4.9763529725d+00 1.0000000000d+00 1.0000000000d+00 10 2.3821860296d+00 1.0000000000d+00 1.0000000000d+00 11 1.0856126684d+00 1.0000000000d+00 1.0000000000d+00 12 4.6030994926d-01 1.0000000000d+00 1.0000000000d+00 13 1.7078663679d-01 1.0000000000d+00 1.0000000000d+00 F+ 1 1.6681048931d+03 1.0000000000d+00 1.0000000000d+00 2 5.7986770780d+02 1.0000000000d+00 1.0000000000d+00 3 2.4903368002d+02 1.0000000000d+00 1.0000000000d+00 4 1.1930971876d+02 1.0000000000d+00 1.0000000000d+00 5 6.0353233915d+01 1.0000000000d+00 1.0000000000d+00 6 3.1549584590d+01 1.0000000000d+00 1.0000000000d+00 7 1.6592049345d+01 1.0000000000d+00 1.0000000000d+00 8 8.6903764022d+00 1.0000000000d+00 1.0000000000d+00 9 4.4378128997d+00 1.0000000000d+00 1.0000000000d+00 10 2.1320482413d+00 1.0000000000d+00 1.0000000000d+00 11 9.7217774739d-01 1.0000000000d+00 1.0000000000d+00 12 4.1188839453d-01 1.0000000000d+00 1.0000000000d+00 13 1.5270960773d-01 1.0000000000d+00 1.0000000000d+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ 7S+ -4.3930711d+03 -8.3091295d+02 -2.1368436d+02 -5.6536436d+01 -1.3196940d+01 -2.2220161d+00 -2.0538892d-01 ------------ ------------ ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 7.9965222d-04 -3.3362442d-04 1.6308747d-04 -8.4875226d-05 4.2295482d-05 -1.8819706d-05 5.5951486d-06 2 1.7247528d-03 -7.2431186d-04 3.5446286d-04 -1.8452968d-04 9.1962371d-05 -4.0917693d-05 1.2165274d-05 3 3.3755461d-03 -1.4273796d-03 6.9935789d-04 -3.6416639d-04 1.8150268d-04 -8.0768186d-05 2.4012261d-05 4 6.0210926d-03 -2.5744550d-03 1.2637061d-03 -6.5840175d-04 3.2818728d-04 -1.4601900d-04 4.3414840d-05 5 1.0611734d-02 -4.5938877d-03 2.2597458d-03 -1.1777741d-03 5.8717512d-04 -2.6134370d-04 7.7693695d-05 6 1.8270295d-02 -8.0409053d-03 3.9659583d-03 -2.0690148d-03 1.0316399d-03 -4.5894248d-04 1.3646787d-04 7 3.1324351d-02 -1.4044227d-02 6.9492818d-03 -3.6267278d-03 1.8088722d-03 -8.0544102d-04 2.3941878d-04 8 5.3250396d-02 -2.4439341d-02 1.2139507d-02 -6.3458458d-03 3.1655340d-03 -1.4077833d-03 4.1869226d-04 9 8.9286573d-02 -4.2223747d-02 2.1091049d-02 -1.1030196d-02 5.5053135d-03 -2.4531799d-03 7.2905955d-04 10 1.4389101d-01 -7.1046328d-02 3.5765246d-02 -1.8767420d-02 9.3699569d-03 -4.1648459d-03 1.2391028d-03 11 2.1097977d-01 -1.1123380d-01 5.6751933d-02 -2.9825907d-02 1.4910265d-02 -6.6537481d-03 1.9766711d-03 12 2.5420159d-01 -1.4596784d-01 7.5731023d-02 -4.0095489d-02 2.0057147d-02 -8.9007838d-03 2.6506376d-03 13 2.0967067d-01 -1.1477220d-01 5.8365131d-02 -3.0482942d-02 1.5242331d-02 -6.8589120d-03 2.0306521d-03 14 8.6376231d-02 8.1497046d-02 -7.0927348d-02 4.1782166d-02 -2.1618958d-02 9.8670705d-03 -2.9184111d-03 15 9.8046523d-03 4.0326608d-01 -3.5469251d-01 2.1622396d-01 -1.1229446d-01 5.0121221d-02 -1.4969279d-02 16 7.1495528d-04 4.6365072d-01 -5.1928713d-01 3.3613754d-01 -1.7858788d-01 8.1505774d-02 -2.4204110d-02 17 -4.4108823d-04 1.7661646d-01 -4.2056135d-02 1.1219743d-02 -2.9899580d-03 -6.7967327d-04 3.1445190d-05 18 2.8940488d-04 1.2361809d-02 7.1582364d-01 -8.3687453d-01 5.2210553d-01 -2.4208217d-01 7.2985739d-02 19 -2.1866176d-04 1.7607774d-03 5.3841181d-01 -7.3441496d-01 4.8338942d-01 -2.3757738d-01 7.0926764d-02 20 1.5025907d-04 -9.9049857d-04 8.3292844d-02 6.0457982d-01 -5.8071305d-01 3.1399708d-01 -9.4779506d-02 21 -9.5529572d-05 4.5291243d-04 -2.9578028d-03 8.8131678d-01 -1.2349458d+00 7.1057746d-01 -2.2325111d-01 22 6.0337510d-05 -2.8429915d-04 1.9944720d-03 1.5674105d-01 2.3388618d-01 -2.0334951d-01 7.1048522d-02 23 -3.8812879d-05 1.9142433d-04 -1.2345509d-03 -8.7065078d-03 1.0711190d+00 -1.0977617d+00 3.7096223d-01 24 1.7390989d-05 -8.1045505d-05 4.3157443d-04 3.9941349d-03 3.0064929d-01 -2.7478531d-01 1.0942933d-01 25 -6.5793579d-06 3.0138871d-05 -1.5261299d-04 -1.1662456d-03 7.2454595d-03 9.4556424d-01 -4.6750391d-01 26 2.0583118d-06 -9.7358124d-06 5.1271014d-05 2.7516404d-04 7.4616567d-04 5.5086680d-01 -4.1135817d-01 27 -4.4338604d-07 2.0524149d-06 -1.0338617d-05 -6.2956937d-05 -7.1308641d-05 1.6625033d-02 6.9285342d-01 28 1.7220191d-07 -7.9794059d-07 4.0221222d-06 2.4093722d-05 2.7155966d-05 -3.6690177d-03 5.4566688d-01 *** Small Component *** 29 9.1721463d-04 -3.8115350d-04 1.8619587d-04 -9.6881340d-05 4.8276485d-05 -2.1482305d-05 6.3865461d-06 30 2.7286949d-03 -1.1343734d-03 5.5417316d-04 -2.8838305d-04 1.4370071d-04 -6.3930841d-05 1.9007899d-05 31 4.8890370d-03 -2.0350828d-03 9.9445998d-04 -5.1744703d-04 2.5785453d-04 -1.1475499d-04 3.4114339d-05 32 8.6212077d-03 -3.5936438d-03 1.7564080d-03 -9.1419804d-04 4.5555125d-04 -2.0263606d-04 6.0252055d-05 33 1.3646589d-02 -5.7036299d-03 2.7892984d-03 -1.4514669d-03 7.2334892d-04 -3.2199671d-04 9.5714227d-05 34 2.1303620d-02 -8.9387262d-03 4.3741167d-03 -2.2777684d-03 1.1350955d-03 -5.0476327d-04 1.5010627d-04 35 3.1390396d-02 -1.3266261d-02 6.5019865d-03 -3.3846633d-03 1.6870855d-03 -7.5132159d-04 2.2329793d-04 36 4.5193147d-02 -1.9327145d-02 9.4927685d-03 -4.9492115d-03 2.4669241d-03 -1.0965625d-03 3.2616191d-04 37 6.1761289d-02 -2.6988328d-02 1.3317427d-02 -6.9426651d-03 3.4623951d-03 -1.5429723d-03 4.5848687d-04 38 7.9378114d-02 -3.5992609d-02 1.7890170d-02 -9.3596131d-03 4.6689690d-03 -2.0743997d-03 6.1720345d-04 39 9.0195088d-02 -4.3592826d-02 2.1973935d-02 -1.1513221d-02 5.7510098d-03 -2.5663556d-03 7.6232134d-04 40 8.2710976d-02 -4.3681696d-02 2.2445562d-02 -1.1857876d-02 5.9282837d-03 -2.6301962d-03 7.8328183d-04 41 5.0955602d-02 -2.6254441d-02 1.3397291d-02 -7.0092302d-03 3.5060748d-03 -1.5771352d-03 4.6701635d-04 42 1.5566295d-02 1.2043489d-02 -1.0382862d-02 6.0953693d-03 -3.1520109d-03 1.4406879d-03 -4.2582047d-04 43 1.2757516d-03 4.7521063d-02 -4.1108381d-02 2.4975299d-02 -1.2959529d-02 5.7824623d-03 -1.7270320d-03 44 8.7024692d-05 4.0765180d-02 -4.5077468d-02 2.9120594d-02 -1.5462650d-02 7.0558033d-03 -2.0952609d-03 45 -4.6083086d-05 1.1524064d-02 -2.9707714d-03 9.8775168d-04 -3.5189428d-04 3.1520743d-05 -2.0438218d-05 46 2.6574372d-05 6.0311583d-04 3.4314878d-02 -3.9962669d-02 2.4911021d-02 -1.1548013d-02 3.4815773d-03 47 -1.5879058d-05 6.4793958d-05 1.9319645d-02 -2.6295860d-02 1.7307305d-02 -8.5050492d-03 2.5391546d-03 48 9.0087390d-06 -2.6567450d-05 2.1618455d-03 1.5599579d-02 -1.4965648d-02 8.0897415d-03 -2.4416722d-03 49 -5.1481238d-06 9.2821455d-06 -5.6909078d-05 1.7043136d-02 -2.3860546d-02 1.3727729d-02 -4.3129199d-03 50 2.8302436d-06 -4.1964401d-06 2.7205396d-05 2.1574086d-03 3.2097277d-03 -2.7898634d-03 9.7480723d-04 51 -1.6470439d-06 2.1391392d-06 -1.2546226d-05 -8.9525042d-05 1.1024149d-02 -1.1295776d-02 3.8170226d-03 52 6.9213545d-07 -6.7401148d-07 3.1264084d-06 2.9631130d-05 2.2345131d-03 -2.0422271d-03 8.1331803d-04 53 -2.4984466d-07 1.7975539d-07 -7.4467268d-07 -5.9225175d-06 3.7011041d-05 4.8214397d-03 -2.3837161d-03 54 7.5918612d-08 -4.1770814d-08 1.6681179d-07 9.4623061d-07 2.5726738d-06 1.9119533d-03 -1.4276918d-03 55 -1.6320958d-08 5.1672505d-09 -1.4664932d-08 -1.0329854d-07 -1.1551470d-07 2.7845781d-05 1.1606256d-03 56 6.7350146d-09 -1.5605640d-09 3.1248040d-09 2.4582932d-08 2.7097989d-08 -3.8844532d-06 5.7797953d-04 2P- 3P- 4P- 5P- 6P- -8.0054664d+02 -1.9989970d+02 -5.0260335d+01 -1.0650805d+01 -1.3976522d+00 ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 1.6429393d-04 -8.5235423d-05 -4.4351407d-05 2.1487321d-05 8.9264197d-06 2 4.7033965d-04 -2.4405588d-04 -1.2698433d-04 6.1524752d-05 2.5558049d-05 3 1.0456771d-03 -5.4271157d-04 -2.8243708d-04 1.3683531d-04 5.6846617d-05 4 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5.5891036d-10 -1.1924945d-08 6.4746996d-07 -6.0192659d-04 4F- 5F- -1.6129966d+01 -3.9719861d-01 ------------ ------------ *** Large Component *** 1 2.0627830d-04 -6.5940116d-05 2 1.8947992d-03 -6.0484174d-04 3 1.1219159d-02 -3.6007948d-03 4 4.5543428d-02 -1.4619976d-02 5 1.3166018d-01 -4.2527612d-02 6 2.6632162d-01 -8.3939619d-02 7 3.6214665d-01 -1.0394475d-01 8 3.1011924d-01 -4.5948246d-02 9 1.3644848d-01 1.4519490d-01 10 2.0099652d-02 3.5684343d-01 11 1.8005319d-04 4.0866411d-01 12 2.3799840d-04 2.8592706d-01 13 -6.7620968d-06 1.0678915d-01 *** Small Component *** 14 7.2349087d-05 -2.3146891d-05 15 4.8045550d-04 -1.5334714d-04 16 1.9840954d-03 -6.3684893d-04 17 5.7091947d-03 -1.8327841d-03 18 1.1824852d-02 -3.8198588d-03 19 1.7330327d-02 -5.4635105d-03 20 1.7098129d-02 -4.9092224d-03 21 1.0589316d-02 -1.5709617d-03 22 3.3263678d-03 3.5418853d-03 23 3.3774458d-04 6.0264432d-03 24 1.5502051d-06 4.6599775d-03 25 1.6349963d-06 2.1232281d-03 26 -5.8299636d-08 4.8302462d-04 4F+ 5F+ -1.5688683d+01 -3.6420662d-01 ------------ ------------ *** Large Component *** 1 2.3707367d-04 -7.4728499d-05 2 2.3816342d-03 -7.5037522d-04 3 1.4017308d-02 -4.4373264d-03 4 5.4441208d-02 -1.7251362d-02 5 1.4980116d-01 -4.7707451d-02 6 2.8346211d-01 -8.7388064d-02 7 3.6365143d-01 -1.0041132d-01 8 2.8773926d-01 -2.7253720d-02 9 1.1375025d-01 1.6850963d-01 10 1.4354396d-02 3.6480798d-01 11 2.2620621d-04 3.9680426d-01 12 1.5016744d-04 2.7298457d-01 13 1.7051669d-05 1.0179830d-01 *** Small Component *** 14 9.5198396d-05 -2.9997610d-05 15 5.9739330d-04 -1.8812899d-04 16 2.3642803d-03 -7.4815696d-04 17 6.4335380d-03 -2.0379576d-03 18 1.2671282d-02 -4.0343457d-03 19 1.7391096d-02 -5.3603953d-03 20 1.6201591d-02 -4.4731632d-03 21 9.2849135d-03 -8.8066120d-04 22 2.6234987d-03 3.8840070d-03 23 2.2956848d-04 5.8299839d-03 24 2.4132988d-06 4.2824649d-03 25 1.0657745d-06 1.9177037d-03 26 6.9780922d-08 4.3544538d-04 * Radial Moments Sym Orb S+ 1 4.29045d+04 1.24820d+02 1.34399d-02 2.54097d-04 6.19821d-06 1.85336d-07 2 6.87922d+03 3.16428d+01 5.55925d-02 3.73410d-03 2.87431d-04 2.49967d-05 3 1.62864d+03 1.15128d+01 1.44675d-01 2.41212d-02 4.42770d-03 8.85892d-04 4 4.42219d+02 4.92287d+00 3.14291d-01 1.11597d-01 4.30150d-02 1.78274d-02 5 1.10623d+02 2.16437d+00 6.57627d-01 4.82990d-01 3.83507d-01 3.26631d-01 6 2.21443d+01 9.08458d-01 1.46149d+00 2.38770d+00 4.25571d+00 8.23385d+00 7 2.00545d+00 2.92344d-01 4.27349d+00 2.07459d+01 1.12649d+02 6.79823d+02 P- 1 2.20493d+03 3.15646d+01 4.50073d-02 2.57276d-03 1.77440d-04 1.43294d-05 2 5.41489d+02 1.14093d+01 1.35965d-01 2.16884d-02 3.85149d-03 7.53056d-04 3 1.45813d+02 4.81177d+00 3.12651d-01 1.11324d-01 4.32476d-02 1.81610d-02 4 3.49056d+01 2.05458d+00 6.83699d-01 5.24469d-01 4.37051d-01 3.92955d-01 5 6.23934d+00 8.12321d-01 1.61995d+00 2.94822d+00 5.88730d+00 1.28159d+01 P+ 1 7.30939d+02 2.30635d+01 5.53339d-02 3.73342d-03 2.97784d-04 2.74554d-05 2 1.82858d+02 9.16978d+00 1.54458d-01 2.77626d-02 5.53532d-03 1.21061d-03 3 5.05254d+01 4.06746d+00 3.47957d-01 1.37562d-01 5.92838d-02 2.75884d-02 4 1.23185d+01 1.78472d+00 7.58849d-01 6.45761d-01 5.97195d-01 5.96094d-01 5 2.07721d+00 6.92628d-01 1.85912d+00 3.89924d+00 9.04763d+00 2.31551d+01 D- 1 1.03344d+02 9.05263d+00 1.33317d-01 2.08661d-02 3.76034d-03 7.68961d-04 2 2.74184d+01 3.88178d+00 3.44566d-01 1.36796d-01 6.00286d-02 2.88217d-02 3 5.86206d+00 1.56258d+00 8.48943d-01 8.18389d-01 8.70555d-01 1.01702d+00 4 4.72840d-01 4.18254d-01 3.09269d+00 1.13582d+01 4.86421d+01 2.39108d+02 D+ 1 9.11842d+01 8.60445d+00 1.38770d-01 2.24811d-02 4.17971d-03 8.79985d-04 2 2.42409d+01 3.72526d+00 3.55290d-01 1.45203d-01 6.55579d-02 3.23709d-02 3 5.16786d+00 1.50314d+00 8.76521d-01 8.72151d-01 9.57886d-01 1.15590d+00 4 4.01817d-01 3.96789d-01 3.24404d+00 1.25032d+01 5.63197d+01 2.92345d+02 F- 1 1.44167d+01 3.44978d+00 3.44188d-01 1.38446d-01 6.42315d-02 3.39915d-02 2 1.70031d+00 9.85628d-01 1.34692d+00 2.22068d+00 4.42507d+00 1.05853d+01 F+ 1 1.38795d+01 3.39113d+00 3.49465d-01 1.42568d-01 6.70410d-02 3.59462d-02 2 1.60729d+00 9.60352d-01 1.38481d+00 2.35865d+00 4.88414d+00 1.22106d+01 ------------------------------------------------------------------------------- Plutonium [Rn]7s(2)5f(6) Nuclear Charge = 94.0000000000 Atomic Mass = 244.0000000000 Nuclear Radius = 1.413518d-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ F- F+ Number of Closed Shells 7 5 5 3 3 1 1 Open Shells 0 0 0 0 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.00033300 0.0 0.0 0.0 0.0 0.0 6.0 0.0 2 0.01598402 0.0 0.0 0.0 0.0 0.0 5.0 1.0 3 0.13986014 0.0 0.0 0.0 0.0 0.0 4.0 2.0 4 0.37296037 0.0 0.0 0.0 0.0 0.0 3.0 3.0 5 0.34965035 0.0 0.0 0.0 0.0 0.0 2.0 4.0 6 0.11188811 0.0 0.0 0.0 0.0 0.0 1.0 5.0 7 0.00932401 0.0 0.0 0.0 0.0 0.0 0.0 6.0 * Energies Total Energy = -2.965637609529121d+04 Mass Energy = -2.962529897459486d+04 Kinetic Energy = 6.629593200654937d+04 Potential Energy = -6.632700912724572d+04 Correction to Virial = 3.108112766300239d+01 Virials -/ = 1.000468763614233d+00 -(CORR )/ = -4.688240548444494d-04 -[+(CORR )]/ = 9.999999395593888d-01 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 3.7469335583d+07 1.0000000000d+00 1.0000000000d+00 2 8.7237678355d+06 1.0000000000d+00 1.0000000000d+00 3 2.8000397774d+06 1.0000000000d+00 1.0000000000d+00 4 1.0117842250d+06 1.0000000000d+00 1.0000000000d+00 5 4.0691576138d+05 1.0000000000d+00 1.0000000000d+00 6 1.7478717615d+05 1.0000000000d+00 1.0000000000d+00 7 7.9666728340d+04 1.0000000000d+00 1.0000000000d+00 8 3.7852683644d+04 1.0000000000d+00 1.0000000000d+00 9 1.8590213508d+04 1.0000000000d+00 1.0000000000d+00 10 9.3150395475d+03 1.0000000000d+00 1.0000000000d+00 11 4.7262245328d+03 1.0000000000d+00 1.0000000000d+00 12 2.4225156486d+03 1.0000000000d+00 1.0000000000d+00 13 1.2555202990d+03 1.0000000000d+00 1.0000000000d+00 14 6.5695601001d+02 1.0000000000d+00 1.0000000000d+00 15 3.4970140721d+02 1.0000000000d+00 1.0000000000d+00 16 1.8871967603d+02 1.0000000000d+00 1.0000000000d+00 17 1.0234203895d+02 1.0000000000d+00 1.0000000000d+00 18 5.7659616277d+01 1.0000000000d+00 1.0000000000d+00 19 3.2100595779d+01 1.0000000000d+00 1.0000000000d+00 20 1.6837543310d+01 1.0000000000d+00 1.0000000000d+00 21 9.4305672226d+00 1.0000000000d+00 1.0000000000d+00 22 4.7914365642d+00 1.0000000000d+00 1.0000000000d+00 23 2.6501948818d+00 1.0000000000d+00 1.0000000000d+00 24 1.3538259498d+00 1.0000000000d+00 1.0000000000d+00 25 6.4742329619d-01 1.0000000000d+00 1.0000000000d+00 26 2.9512718503d-01 1.0000000000d+00 1.0000000000d+00 27 6.2105628166d-02 1.0000000000d+00 1.0000000000d+00 28 2.4984404512d-02 1.0000000000d+00 1.0000000000d+00 P- 1 2.9518301610d+07 1.0000000000d+00 1.0000000000d+00 2 7.2242090138d+06 1.0000000000d+00 1.0000000000d+00 3 2.0095578919d+06 1.0000000000d+00 1.0000000000d+00 4 6.1284560786d+05 1.0000000000d+00 1.0000000000d+00 5 2.0077641395d+05 1.0000000000d+00 1.0000000000d+00 6 6.9918863212d+04 1.0000000000d+00 1.0000000000d+00 7 2.5734559454d+04 1.0000000000d+00 1.0000000000d+00 8 9.9886730530d+03 1.0000000000d+00 1.0000000000d+00 9 4.0867166391d+03 1.0000000000d+00 1.0000000000d+00 10 1.7601189304d+03 1.0000000000d+00 1.0000000000d+00 11 7.9410935251d+02 1.0000000000d+00 1.0000000000d+00 12 3.7306409826d+02 1.0000000000d+00 1.0000000000d+00 13 1.8116950759d+02 1.0000000000d+00 1.0000000000d+00 14 8.8720867221d+01 1.0000000000d+00 1.0000000000d+00 15 4.4949685517d+01 1.0000000000d+00 1.0000000000d+00 16 2.1440976189d+01 1.0000000000d+00 1.0000000000d+00 17 1.0801898621d+01 1.0000000000d+00 1.0000000000d+00 18 4.6238742989d+00 1.0000000000d+00 1.0000000000d+00 19 2.2268244992d+00 1.0000000000d+00 1.0000000000d+00 20 7.6292274760d-01 1.0000000000d+00 1.0000000000d+00 21 2.9201363697d-01 1.0000000000d+00 1.0000000000d+00 P+ 1 1.5584609350d+06 1.0000000000d+00 1.0000000000d+00 2 3.1725431312d+05 1.0000000000d+00 1.0000000000d+00 3 9.1436230171d+04 1.0000000000d+00 1.0000000000d+00 4 3.1666588183d+04 1.0000000000d+00 1.0000000000d+00 5 1.2365975773d+04 1.0000000000d+00 1.0000000000d+00 6 5.2627213263d+03 1.0000000000d+00 1.0000000000d+00 7 2.3906274652d+03 1.0000000000d+00 1.0000000000d+00 8 1.1429303185d+03 1.0000000000d+00 1.0000000000d+00 9 5.6866697559d+02 1.0000000000d+00 1.0000000000d+00 10 2.9229210261d+02 1.0000000000d+00 1.0000000000d+00 11 1.5364775010d+02 1.0000000000d+00 1.0000000000d+00 12 8.1084318604d+01 1.0000000000d+00 1.0000000000d+00 13 4.3921893219d+01 1.0000000000d+00 1.0000000000d+00 14 2.3616575435d+01 1.0000000000d+00 1.0000000000d+00 15 1.2660287374d+01 1.0000000000d+00 1.0000000000d+00 16 6.7939806627d+00 1.0000000000d+00 1.0000000000d+00 17 3.5067802893d+00 1.0000000000d+00 1.0000000000d+00 18 1.7614303759d+00 1.0000000000d+00 1.0000000000d+00 19 7.5760781591d-01 1.0000000000d+00 1.0000000000d+00 20 3.3925079772d-01 1.0000000000d+00 1.0000000000d+00 21 1.3636975596d-01 1.0000000000d+00 1.0000000000d+00 D- 1 5.9871430484d+04 1.0000000000d+00 1.0000000000d+00 2 1.4107677009d+04 1.0000000000d+00 1.0000000000d+00 3 4.5654724142d+03 1.0000000000d+00 1.0000000000d+00 4 1.7614232145d+03 1.0000000000d+00 1.0000000000d+00 5 7.6390550685d+02 1.0000000000d+00 1.0000000000d+00 6 3.5835017415d+02 1.0000000000d+00 1.0000000000d+00 7 1.7772724789d+02 1.0000000000d+00 1.0000000000d+00 8 9.1273588179d+01 1.0000000000d+00 1.0000000000d+00 9 4.8022729882d+01 1.0000000000d+00 1.0000000000d+00 10 2.5289729666d+01 1.0000000000d+00 1.0000000000d+00 11 1.3252623011d+01 1.0000000000d+00 1.0000000000d+00 12 6.9093283515d+00 1.0000000000d+00 1.0000000000d+00 13 3.4931185032d+00 1.0000000000d+00 1.0000000000d+00 14 1.6836994911d+00 1.0000000000d+00 1.0000000000d+00 15 7.2622957052d-01 1.0000000000d+00 1.0000000000d+00 D+ 1 2.1614970106d+04 1.0000000000d+00 1.0000000000d+00 2 6.2132321499d+03 1.0000000000d+00 1.0000000000d+00 3 2.3430049168d+03 1.0000000000d+00 1.0000000000d+00 4 1.0166378972d+03 1.0000000000d+00 1.0000000000d+00 5 4.8008811609d+02 1.0000000000d+00 1.0000000000d+00 6 2.4034835053d+02 1.0000000000d+00 1.0000000000d+00 7 1.2500811681d+02 1.0000000000d+00 1.0000000000d+00 8 6.6815961648d+01 1.0000000000d+00 1.0000000000d+00 9 3.6068062971d+01 1.0000000000d+00 1.0000000000d+00 10 1.9300814267d+01 1.0000000000d+00 1.0000000000d+00 11 1.0370315875d+01 1.0000000000d+00 1.0000000000d+00 12 5.4812666463d+00 1.0000000000d+00 1.0000000000d+00 13 2.8159406850d+00 1.0000000000d+00 1.0000000000d+00 14 1.3771700705d+00 1.0000000000d+00 1.0000000000d+00 15 5.9866211122d-01 1.0000000000d+00 1.0000000000d+00 F- 1 2.0089182961d+03 1.0000000000d+00 1.0000000000d+00 2 6.5073375974d+02 1.0000000000d+00 1.0000000000d+00 3 2.6952273442d+02 1.0000000000d+00 1.0000000000d+00 4 1.2621671595d+02 1.0000000000d+00 1.0000000000d+00 5 6.2735491112d+01 1.0000000000d+00 1.0000000000d+00 6 3.2374178185d+01 1.0000000000d+00 1.0000000000d+00 7 1.6829040328d+01 1.0000000000d+00 1.0000000000d+00 8 8.7126247800d+00 1.0000000000d+00 1.0000000000d+00 9 4.3943645564d+00 1.0000000000d+00 1.0000000000d+00 10 2.0985069283d+00 1.0000000000d+00 1.0000000000d+00 11 9.4745809172d-01 1.0000000000d+00 1.0000000000d+00 12 3.9406525525d-01 1.0000000000d+00 1.0000000000d+00 13 1.4222616328d-01 1.0000000000d+00 1.0000000000d+00 F+ 1 1.5197270757d+03 1.0000000000d+00 1.0000000000d+00 2 5.2563974418d+02 1.0000000000d+00 1.0000000000d+00 3 2.2590401279d+02 1.0000000000d+00 1.0000000000d+00 4 1.0797936504d+02 1.0000000000d+00 1.0000000000d+00 5 5.4502024012d+01 1.0000000000d+00 1.0000000000d+00 6 2.8332268836d+01 1.0000000000d+00 1.0000000000d+00 7 1.4797884973d+01 1.0000000000d+00 1.0000000000d+00 8 7.6655443547d+00 1.0000000000d+00 1.0000000000d+00 9 3.8424401571d+00 1.0000000000d+00 1.0000000000d+00 10 1.8340902078d+00 1.0000000000d+00 1.0000000000d+00 11 8.2467834826d-01 1.0000000000d+00 1.0000000000d+00 12 3.4097957737d-01 1.0000000000d+00 1.0000000000d+00 13 1.2235952871d-01 1.0000000000d+00 1.0000000000d+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ 7S+ -4.5088755d+03 -8.5606761d+02 -2.2073837d+02 -5.8611169d+01 -1.3621087d+01 -2.1778496d+00 -1.8848854d-01 ------------ ------------ ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 8.5841064d-04 -3.6010201d-04 1.7624675d-04 -9.1934001d-05 4.6060086d-05 -2.0298790d-05 5.5053198d-06 2 1.8469916d-03 -7.8001605d-04 3.8220474d-04 -1.9942917d-04 9.9922843d-05 -4.4034620d-05 1.1943013d-05 3 3.6037430d-03 -1.5326952d-03 7.5192355d-04 -3.9244333d-04 1.9665362d-04 -8.6673282d-05 2.3506900d-05 4 6.4059539d-03 -2.7555777d-03 1.3544336d-03 -7.0730684d-04 3.5446036d-04 -1.5620197d-04 4.2366041d-05 5 1.1244038d-02 -4.8983463d-03 2.4128316d-03 -1.2605105d-03 6.3184205d-04 -2.7853350d-04 7.5540293d-05 6 1.9252240d-02 -8.5297423d-03 4.2132894d-03 -2.2031980d-03 1.1044220d-03 -4.8663221d-04 1.3199563d-04 7 3.2798474d-02 -1.4808422d-02 7.3383926d-03 -3.8389569d-03 1.9252808d-03 -8.4906877d-04 2.3025981d-04 8 5.5285190d-02 -2.5562231d-02 1.2718326d-02 -6.6642284d-03 3.3419050d-03 -1.4720496d-03 3.9933353d-04 9 9.1802382d-02 -4.3748831d-02 2.1888466d-02 -1.1475277d-02 5.7597813d-03 -2.5420100d-03 6.8929145d-04 10 1.4695392d-01 -7.3139067d-02 3.6887750d-02 -1.9403150d-02 9.7373154d-03 -4.2869450d-03 1.1632019d-03 11 2.1390560d-01 -1.1363985d-01 5.8077365d-02 -3.0599655d-02 1.5386934d-02 -6.8006574d-03 1.8436979d-03 12 2.5355432d-01 -1.4614228d-01 7.5910710d-02 -4.0278353d-02 2.0242940d-02 -8.8972960d-03 2.4156172d-03 13 2.0327065d-01 -1.0712246d-01 5.3677474d-02 -2.7962241d-02 1.4073180d-02 -6.2769731d-03 1.6977219d-03 14 8.0052962d-02 9.9612903d-02 -8.4462046d-02 4.9807974d-02 -2.5966664d-02 1.1708420d-02 -3.1692007d-03 15 8.2806818d-03 4.1570198d-01 -3.7092063d-01 2.2743077d-01 -1.1874198d-01 5.2523732d-02 -1.4292105d-02 16 7.3330817d-04 4.5269661d-01 -5.1066255d-01 3.3275607d-01 -1.7847614d-01 8.0742183d-02 -2.1904981d-02 17 -4.7822594d-04 1.6155531d-01 3.2059867d-03 -2.7230482d-02 2.0119216d-02 -1.1310099d-02 2.9980418d-03 18 3.1532754d-04 9.0197165d-03 7.2951632d-01 -8.6867025d-01 5.4623260d-01 -2.5125107d-01 6.8932897d-02 19 -2.3032729d-04 2.0698022d-03 5.1003472d-01 -6.8630050d-01 4.5759285d-01 -2.2379876d-01 6.1131583d-02 20 1.5672698d-04 -1.1693684d-03 7.3321083d-02 6.6033070d-01 -6.5158096d-01 3.5041839d-01 -9.7010495d-02 21 -9.8504949d-05 5.5978857d-04 -2.3135136d-03 8.4809990d-01 -1.2180029d+00 6.9927306d-01 -1.9935189d-01 22 5.9758967d-05 -3.3084302d-04 1.4634017d-03 1.3892009d-01 3.4432887d-01 -2.9350257d-01 8.9847949d-02 23 -3.6939232d-05 2.1171425d-04 -9.1045544d-04 -7.0606875d-03 1.0546277d+00 -1.0846193d+00 3.3503643d-01 24 1.6590095d-05 -9.0884618d-05 3.0482027d-04 3.2706015d-03 2.5209629d-01 -1.7135204d-01 5.8754562d-02 25 -6.4390303d-06 3.4751153d-05 -1.0900024d-04 -9.9964250d-04 2.9453818d-03 9.3665898d-01 -4.0235224d-01 26 1.8973107d-06 -1.0495204d-05 3.5393550d-05 2.2118207d-04 1.2081800d-03 5.1936254d-01 -3.7337749d-01 27 -3.9071637d-07 2.1249344d-06 -6.6996238d-06 -4.8649576d-05 -1.4093094d-04 1.3221656d-02 6.8172065d-01 28 1.6106309d-07 -8.7654285d-07 2.7665276d-06 1.9825780d-05 5.6960067d-05 -3.4056240d-03 5.2756519d-01 *** Small Component *** 29 9.7686626d-04 -4.0813713d-04 1.9961847d-04 -1.0410347d-04 5.2155622d-05 -2.2986385d-05 6.2341197d-06 30 2.9005210d-03 -1.2123453d-03 5.9298939d-04 -3.0928685d-04 1.5494395d-04 -6.8274180d-05 1.8517507d-05 31 5.1831626d-03 -2.1692978d-03 1.0613313d-03 -5.5351249d-04 2.7732300d-04 -1.2223746d-04 3.3151088d-05 32 9.1147546d-03 -3.8202909d-03 1.8695177d-03 -9.7528965d-04 4.8858675d-04 -2.1525622d-04 5.8384792d-05 33 1.4372702d-02 -6.0405226d-03 2.9576675d-03 -1.5426451d-03 7.7299311d-04 -3.4079777d-04 9.2420340d-05 34 2.2332670d-02 -9.4234807d-03 4.6173421d-03 -2.4099097d-03 1.2072898d-03 -5.3174800d-04 1.4423907d-04 35 3.2715291d-02 -1.3905922d-02 6.8240883d-03 -3.5606556d-03 1.7846577d-03 -7.8715299d-04 2.1344802d-04 36 4.6763182d-02 -2.0117451d-02 9.8949650d-03 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3.2637697d-02 1.9268311d-02 8.7272025d-03 23 3.4306777d-02 1.9180952d-02 8.5955926d-03 24 1.9609790d-02 3.5413420d-03 3.7761978d-04 25 4.7000932d-03 -1.6044192d-02 -9.8954788d-03 26 2.6074334d-04 -1.7920613d-02 -1.0726023d-02 27 -4.2125313d-06 -6.3031343d-03 1.3170322d-03 28 -1.2714830d-05 -5.6092721d-04 9.6376453d-03 29 -2.6002199d-06 -4.0746452d-06 5.7465012d-03 30 -2.3954241d-06 1.6535685d-06 8.9223300d-04 3D+ 4D+ 5D+ -1.4066248d+02 -3.0370780d+01 -4.3251405d+00 ------------ ------------ ------------ *** Large Component *** 1 8.0126204d-05 4.5468975d-05 2.0326281d-05 2 7.0829068d-04 4.0251545d-04 1.7938524d-04 3 4.1820291d-03 2.3896025d-03 1.0693607d-03 4 1.8718060d-02 1.0769686d-02 4.8152837d-03 5 6.4639188d-02 3.7749694d-02 1.6977275d-02 6 1.6878422d-01 1.0021770d-01 4.5128468d-02 7 3.1196018d-01 1.8400683d-01 8.3054673d-02 8 3.6373189d-01 1.8304707d-01 7.7627341d-02 9 2.1837396d-01 -7.0128332d-02 -5.9549257d-02 10 5.1864716d-02 -4.2511632d-01 -2.5838717d-01 11 2.6781768d-03 -4.5172164d-01 -2.4533433d-01 12 3.8603340d-04 -1.6344026d-01 1.9002799d-01 13 -1.4824448d-04 -1.3877509d-02 5.5027229d-01 14 3.3062555d-05 -5.4063056d-04 3.7900246d-01 15 -1.4080943d-05 9.7194993d-05 7.5702810d-02 *** Small Component *** 16 7.4000966d-05 4.1883223d-05 1.8725511d-05 17 4.3192881d-04 2.4464873d-04 1.0891577d-04 18 1.7323186d-03 9.8660347d-04 4.4123467d-04 19 5.3990782d-03 3.0967117d-03 1.3835184d-03 20 1.3220479d-02 7.6988741d-03 3.4602994d-03 21 2.4872436d-02 1.4731881d-02 6.6301806d-03 22 3.3469000d-02 1.9704869d-02 8.8908395d-03 23 2.8683792d-02 1.4428482d-02 6.1207310d-03 24 1.2685182d-02 -4.0266921d-03 -3.4268315d-03 25 2.2055926d-03 -1.8010573d-02 -1.0942202d-02 26 8.3658903d-05 -1.4045634d-02 -7.6268977d-03 27 8.6518421d-06 -3.6961503d-03 4.2912667d-03 28 -2.3630467d-06 -2.2494766d-04 8.9135626d-03 29 3.5820119d-07 -6.1317976d-06 4.2938705d-03 30 -1.0056864d-07 7.2753892d-07 5.6549080d-04 4F- 5F- -1.6883540d+01 -2.9702430d-01 ------------ ------------ *** Large Component *** 1 2.7439019d-04 -8.7460123d-05 2 2.5275913d-03 -8.0352706d-04 3 1.4694635d-02 -4.7032608d-03 4 5.7356621d-02 -1.8346863d-02 5 1.5818244d-01 -5.0920913d-02 6 2.9734260d-01 -9.2063812d-02 7 3.7110438d-01 -1.0164928d-01 8 2.7616593d-01 -1.0732727d-02 9 9.6301160d-02 1.9946257d-01 10 9.5514663d-03 3.7624099d-01 11 3.9959612d-04 3.8138320d-01 12 9.0576363d-05 2.5616983d-01 13 5.5888839d-05 1.0018119d-01 *** Small Component *** 14 9.4540485d-05 -3.0168642d-05 15 6.1851136d-04 -1.9658089d-04 16 2.4935078d-03 -7.9819389d-04 17 6.8742131d-03 -2.1989076d-03 18 1.3550372d-02 -4.3625862d-03 19 1.8412810d-02 -5.7025401d-03 20 1.6618216d-02 -4.5538255d-03 21 8.9082027d-03 -3.4807309d-04 22 2.2052978d-03 4.5732256d-03 23 1.4996033d-04 5.9639925d-03 24 3.8554504d-06 4.0628288d-03 25 5.1981992d-07 1.7600734d-03 26 2.1024056d-07 4.1352043d-04 4F+ 5F+ -1.6411447d+01 -2.6015244d-01 ------------ ------------ *** Large Component *** 1 3.2619805d-04 -1.0186537d-04 2 3.2332959d-03 -1.0088109d-03 3 1.8466858d-02 -5.7925400d-03 4 6.8790293d-02 -2.1600982d-02 5 1.7935784d-01 -5.6494515d-02 6 3.1464340d-01 -9.4459493d-02 7 3.6746573d-01 -9.4414789d-02 8 2.4862570d-01 1.5003386d-02 9 7.4983250d-02 2.2571300d-01 10 5.6385868d-03 3.7862247d-01 11 4.9051749d-04 3.6588083d-01 12 2.5562313d-05 2.4426169d-01 13 7.2316165d-05 9.6845028d-02 *** Small Component *** 14 1.2576168d-04 -3.9260465d-05 15 7.7491589d-04 -2.4165607d-04 16 2.9726804d-03 -9.3209157d-04 17 7.7425196d-03 -2.4303791d-03 18 1.4427706d-02 -4.5432405d-03 19 1.8299296d-02 -5.4925882d-03 20 1.5464256d-02 -3.9731831d-03 21 7.5357455d-03 4.5283551d-04 22 1.6092590d-03 4.8415431d-03 23 8.3673275d-05 5.6122314d-03 24 4.8527163d-06 3.6368805d-03 25 1.7216805d-07 1.5612533d-03 26 2.7432796d-07 3.7081296d-04 * Radial Moments Sym Orb S+ 1 4.49755d+04 1.27266d+02 1.32259d-02 2.46442d-04 5.92966d-06 1.74987d-07 2 7.28270d+03 3.23414d+01 5.46743d-02 3.61486d-03 2.73981d-04 2.34666d-05 3 1.72781d+03 1.17520d+01 1.42354d-01 2.33608d-02 4.22093d-03 8.31309d-04 4 4.71162d+02 5.02708d+00 3.08900d-01 1.07812d-01 4.08423d-02 1.66331d-02 5 1.19088d+02 2.21708d+00 6.44261d-01 4.63659d-01 3.60754d-01 3.01069d-01 6 2.33821d+01 9.21050d-01 1.44351d+00 2.33250d+00 4.11927d+00 7.91319d+00 7 1.76757d+00 2.78420d-01 4.46247d+00 2.26759d+01 1.29308d+02 8.21795d+02 P- 1 2.34261d+03 3.22695d+01 4.41944d-02 2.48423d-03 1.68600d-04 1.34049d-05 2 5.77236d+02 1.16496d+01 1.33692d-01 2.09783d-02 3.66508d-03 7.05041d-04 3 1.56175d+02 4.91627d+00 3.07051d-01 1.07386d-01 4.09688d-02 1.68912d-02 4 3.77930d+01 2.10673d+00 6.69053d-01 5.02381d-01 4.09809d-01 3.60705d-01 5 6.56835d+00 8.21400d-01 1.60376d+00 2.89416d+00 5.74162d+00 1.24393d+01 P+ 1 7.49670d+02 2.33523d+01 5.46611d-02 3.64360d-03 2.87136d-04 2.61570d-05 2 1.88189d+02 9.29848d+00 1.52419d-01 2.70385d-02 5.32042d-03 1.14829d-03 3 5.22817d+01 4.13474d+00 3.42633d-01 1.33388d-01 5.65950d-02 2.59220d-02 4 1.28689d+01 1.82147d+00 7.44804d-01 6.22299d-01 5.65165d-01 5.54158d-01 5 2.06874d+00 6.91646d-01 1.86142d+00 3.91871d+00 9.15686d+00 2.36780d+01 D- 1 1.06358d+02 9.18140d+00 1.31469d-01 2.02923d-02 3.60621d-03 7.27151d-04 2 2.84075d+01 3.95008d+00 3.38771d-01 1.32223d-01 5.70231d-02 2.68961d-02 3 6.13899d+00 1.59763d+00 8.31687d-01 7.86009d-01 8.20149d-01 9.40202d-01 D+ 1 9.35627d+01 8.71634d+00 1.36974d-01 2.19004d-02 4.01804d-03 8.34670d-04 2 2.50450d+01 3.78751d+00 3.49512d-01 1.40501d-01 6.23740d-02 3.02709d-02 3 5.39230d+00 1.53504d+00 8.59567d-01 8.39445d-01 9.05671d-01 1.07461d+00 F- 1 1.49637d+01 3.51641d+00 3.37292d-01 1.32806d-01 6.02497d-02 3.11503d-02 2 1.74344d+00 9.94212d-01 1.35366d+00 2.28769d+00 4.78640d+00 1.23079d+01 F+ 1 1.43948d+01 3.45549d+00 3.42550d-01 1.36822d-01 6.29243d-02 3.29679d-02 2 1.63034d+00 9.62585d-01 1.40511d+00 2.48893d+00 5.52031d+00 1.51992d+01 ------------------------------------------------------------------------------- Americium [Rn]7s(2)5f(7) Nuclear Charge = 95.0000000000 Atomic Mass = 243.0000000000 Nuclear Radius = 1.411775d-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ F- F+ Number of Closed Shells 7 5 5 3 3 1 1 Open Shells 0 0 0 0 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.00233100 0.0 0.0 0.0 0.0 0.0 6.0 1.0 2 0.04895105 0.0 0.0 0.0 0.0 0.0 5.0 2.0 3 0.24475524 0.0 0.0 0.0 0.0 0.0 4.0 3.0 4 0.40792541 0.0 0.0 0.0 0.0 0.0 3.0 4.0 5 0.24475524 0.0 0.0 0.0 0.0 0.0 2.0 5.0 6 0.04895105 0.0 0.0 0.0 0.0 0.0 1.0 6.0 7 0.00233100 0.0 0.0 0.0 0.0 0.0 0.0 7.0 * Energies Total Energy = -3.048235446576525d+04 Mass Energy = -3.044826857541781d+04 Kinetic Energy = 6.837145479935690d+04 Potential Energy = -6.840554068970434d+04 Correction to Virial = 3.408960025580397d+01 Virials -/ = 1.000498539784585d+00 -(CORR )/ = -4.985940456560919d-04 -[+(CORR )]/ = 9.999999457389290d-01 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 3.7608610645d+07 1.0000000000d+00 1.0000000000d+00 2 8.7514998466d+06 1.0000000000d+00 1.0000000000d+00 3 2.8073702426d+06 1.0000000000d+00 1.0000000000d+00 4 1.0135955726d+06 1.0000000000d+00 1.0000000000d+00 5 4.0732050785d+05 1.0000000000d+00 1.0000000000d+00 6 1.7476003906d+05 1.0000000000d+00 1.0000000000d+00 7 7.9573143549d+04 1.0000000000d+00 1.0000000000d+00 8 3.7807866944d+04 1.0000000000d+00 1.0000000000d+00 9 1.8587728495d+04 1.0000000000d+00 1.0000000000d+00 10 9.3350075226d+03 1.0000000000d+00 1.0000000000d+00 11 4.7540191165d+03 1.0000000000d+00 1.0000000000d+00 12 2.4455414919d+03 1.0000000000d+00 1.0000000000d+00 13 1.2700102215d+03 1.0000000000d+00 1.0000000000d+00 14 6.6458811291d+02 1.0000000000d+00 1.0000000000d+00 15 3.5428325744d+02 1.0000000000d+00 1.0000000000d+00 16 1.9141031253d+02 1.0000000000d+00 1.0000000000d+00 17 1.0386497288d+02 1.0000000000d+00 1.0000000000d+00 18 5.8781673594d+01 1.0000000000d+00 1.0000000000d+00 19 3.2841699723d+01 1.0000000000d+00 1.0000000000d+00 20 1.7243932835d+01 1.0000000000d+00 1.0000000000d+00 21 9.6937356005d+00 1.0000000000d+00 1.0000000000d+00 22 4.9462093446d+00 1.0000000000d+00 1.0000000000d+00 23 2.7267185887d+00 1.0000000000d+00 1.0000000000d+00 24 1.3833434585d+00 1.0000000000d+00 1.0000000000d+00 25 6.6889503564d-01 1.0000000000d+00 1.0000000000d+00 26 3.0496109405d-01 1.0000000000d+00 1.0000000000d+00 27 6.3684427345d-02 1.0000000000d+00 1.0000000000d+00 28 2.5505160413d-02 1.0000000000d+00 1.0000000000d+00 P- 1 3.0169971842d+07 1.0000000000d+00 1.0000000000d+00 2 7.4679326425d+06 1.0000000000d+00 1.0000000000d+00 3 2.0909256840d+06 1.0000000000d+00 1.0000000000d+00 4 6.4076389926d+05 1.0000000000d+00 1.0000000000d+00 5 2.1065099127d+05 1.0000000000d+00 1.0000000000d+00 6 7.3537198553d+04 1.0000000000d+00 1.0000000000d+00 7 2.7100646286d+04 1.0000000000d+00 1.0000000000d+00 8 1.0519054613d+04 1.0000000000d+00 1.0000000000d+00 9 4.3002615586d+03 1.0000000000d+00 1.0000000000d+00 10 1.8495964157d+03 1.0000000000d+00 1.0000000000d+00 11 8.3305504081d+02 1.0000000000d+00 1.0000000000d+00 12 3.9063815595d+02 1.0000000000d+00 1.0000000000d+00 13 1.8943640574d+02 1.0000000000d+00 1.0000000000d+00 14 9.2572523295d+01 1.0000000000d+00 1.0000000000d+00 15 4.6840541072d+01 1.0000000000d+00 1.0000000000d+00 16 2.2320074124d+01 1.0000000000d+00 1.0000000000d+00 17 1.1260251577d+01 1.0000000000d+00 1.0000000000d+00 18 4.8323798482d+00 1.0000000000d+00 1.0000000000d+00 19 2.3306894270d+00 1.0000000000d+00 1.0000000000d+00 20 7.9973398739d-01 1.0000000000d+00 1.0000000000d+00 21 3.0515836733d-01 1.0000000000d+00 1.0000000000d+00 P+ 1 1.5850086325d+06 1.0000000000d+00 1.0000000000d+00 2 3.2230627745d+05 1.0000000000d+00 1.0000000000d+00 3 9.2787768272d+04 1.0000000000d+00 1.0000000000d+00 4 3.2116244652d+04 1.0000000000d+00 1.0000000000d+00 5 1.2540243233d+04 1.0000000000d+00 1.0000000000d+00 6 5.3378471222d+03 1.0000000000d+00 1.0000000000d+00 7 2.4253928401d+03 1.0000000000d+00 1.0000000000d+00 8 1.1599009978d+03 1.0000000000d+00 1.0000000000d+00 9 5.7736913878d+02 1.0000000000d+00 1.0000000000d+00 10 2.9692578896d+02 1.0000000000d+00 1.0000000000d+00 11 1.5618904722d+02 1.0000000000d+00 1.0000000000d+00 12 8.2516609714d+01 1.0000000000d+00 1.0000000000d+00 13 4.4706978481d+01 1.0000000000d+00 1.0000000000d+00 14 2.4033059434d+01 1.0000000000d+00 1.0000000000d+00 15 1.2917691537d+01 1.0000000000d+00 1.0000000000d+00 16 6.9403355202d+00 1.0000000000d+00 1.0000000000d+00 17 3.6025015076d+00 1.0000000000d+00 1.0000000000d+00 18 1.8121823291d+00 1.0000000000d+00 1.0000000000d+00 19 7.7983469081d-01 1.0000000000d+00 1.0000000000d+00 20 3.4795167290d-01 1.0000000000d+00 1.0000000000d+00 21 1.3959848411d-01 1.0000000000d+00 1.0000000000d+00 D- 1 6.1977738385d+04 1.0000000000d+00 1.0000000000d+00 2 1.4583757696d+04 1.0000000000d+00 1.0000000000d+00 3 4.7100357139d+03 1.0000000000d+00 1.0000000000d+00 4 1.8141142282d+03 1.0000000000d+00 1.0000000000d+00 5 7.8544655288d+02 1.0000000000d+00 1.0000000000d+00 6 3.6810141880d+02 1.0000000000d+00 1.0000000000d+00 7 1.8259208555d+02 1.0000000000d+00 1.0000000000d+00 8 9.3821905582d+01 1.0000000000d+00 1.0000000000d+00 9 4.9396251646d+01 1.0000000000d+00 1.0000000000d+00 10 2.6046600787d+01 1.0000000000d+00 1.0000000000d+00 11 1.3675572484d+01 1.0000000000d+00 1.0000000000d+00 12 7.1461975689d+00 1.0000000000d+00 1.0000000000d+00 13 3.6233122420d+00 1.0000000000d+00 1.0000000000d+00 14 1.7494807656d+00 1.0000000000d+00 1.0000000000d+00 15 7.5465617194d-01 1.0000000000d+00 1.0000000000d+00 D+ 1 2.1876963880d+04 1.0000000000d+00 1.0000000000d+00 2 6.2788909235d+03 1.0000000000d+00 1.0000000000d+00 3 2.3662373006d+03 1.0000000000d+00 1.0000000000d+00 4 1.0273346884d+03 1.0000000000d+00 1.0000000000d+00 5 4.8584825678d+02 1.0000000000d+00 1.0000000000d+00 6 2.4348919155d+02 1.0000000000d+00 1.0000000000d+00 7 1.2674757634d+02 1.0000000000d+00 1.0000000000d+00 8 6.7832597847d+01 1.0000000000d+00 1.0000000000d+00 9 3.6670915950d+01 1.0000000000d+00 1.0000000000d+00 10 1.9650818700d+01 1.0000000000d+00 1.0000000000d+00 11 1.0585326165d+01 1.0000000000d+00 1.0000000000d+00 12 5.6107151816d+00 1.0000000000d+00 1.0000000000d+00 13 2.8907623437d+00 1.0000000000d+00 1.0000000000d+00 14 1.4162125183d+00 1.0000000000d+00 1.0000000000d+00 15 6.1526727384d-01 1.0000000000d+00 1.0000000000d+00 F- 1 2.0218900249d+03 1.0000000000d+00 1.0000000000d+00 2 6.6166353201d+02 1.0000000000d+00 1.0000000000d+00 3 2.7464936020d+02 1.0000000000d+00 1.0000000000d+00 4 1.2868884486d+02 1.0000000000d+00 1.0000000000d+00 5 6.4054210876d+01 1.0000000000d+00 1.0000000000d+00 6 3.3102195977d+01 1.0000000000d+00 1.0000000000d+00 7 1.7245299325d+01 1.0000000000d+00 1.0000000000d+00 8 8.9598009354d+00 1.0000000000d+00 1.0000000000d+00 9 4.5377348994d+00 1.0000000000d+00 1.0000000000d+00 10 2.1871522863d+00 1.0000000000d+00 1.0000000000d+00 11 9.9788653398d-01 1.0000000000d+00 1.0000000000d+00 12 4.2000929146d-01 1.0000000000d+00 1.0000000000d+00 13 1.5390706402d-01 1.0000000000d+00 1.0000000000d+00 F+ 1 1.5432564779d+03 1.0000000000d+00 1.0000000000d+00 2 5.3581349240d+02 1.0000000000d+00 1.0000000000d+00 3 2.3015718923d+02 1.0000000000d+00 1.0000000000d+00 4 1.1011406392d+02 1.0000000000d+00 1.0000000000d+00 5 5.5657708940d+01 1.0000000000d+00 1.0000000000d+00 6 2.8967954604d+01 1.0000000000d+00 1.0000000000d+00 7 1.5168991186d+01 1.0000000000d+00 1.0000000000d+00 8 7.8910503208d+00 1.0000000000d+00 1.0000000000d+00 9 3.9739322303d+00 1.0000000000d+00 1.0000000000d+00 10 1.9124079483d+00 1.0000000000d+00 1.0000000000d+00 11 8.6832231711d-01 1.0000000000d+00 1.0000000000d+00 12 3.6363290512d-01 1.0000000000d+00 1.0000000000d+00 13 1.3242691237d-01 1.0000000000d+00 1.0000000000d+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ 7S+ -4.6272875d+03 -8.8202439d+02 -2.2814494d+02 -6.0910721d+01 -1.4226699d+01 -2.2531019d+00 -1.9093609d-01 ------------ ------------ ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 9.1024405d-04 -3.8394699d-04 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2.6044873d-01 1.5430961d-01 7.0542657d-02 8 3.7659599d-01 2.1095068d-01 9.5307060d-02 9 2.9564438d-01 5.2857821d-02 5.1715452d-03 10 9.8752728d-02 -3.3221194d-01 -2.0774147d-01 11 8.6639939d-03 -5.1092793d-01 -3.0927634d-01 12 5.7183186d-04 -2.4740735d-01 5.7140316d-02 13 -1.9937287d-04 -3.0955591d-02 5.3901960d-01 14 5.2838242d-05 -5.2556300d-04 4.5435299d-01 15 -2.2514588d-05 3.1599779d-05 1.0582233d-01 *** Small Component *** 16 4.4730623d-05 2.5331446d-05 1.1450143d-05 17 2.5002783d-04 1.4247656d-04 6.4723661d-05 18 1.0494567d-03 5.9787147d-04 2.7079721d-04 19 3.5598362d-03 2.0457245d-03 9.3069443d-04 20 9.7171723d-03 5.6259423d-03 2.5587170d-03 21 2.0840379d-02 1.2308105d-02 5.6357371d-03 22 3.3029454d-02 1.9589464d-02 8.9570272d-03 23 3.4736912d-02 1.9500368d-02 8.8161061d-03 24 1.9878345d-02 3.5969758d-03 3.7185311d-04 25 4.7800815d-03 -1.6311214d-02 -1.0196413d-02 26 2.6583593d-04 -1.8217249d-02 -1.1029748d-02 27 -5.2023932d-06 -6.3767898d-03 1.4682712d-03 28 -1.3331588d-05 -5.6348074d-04 9.9000959d-03 29 -2.8085284d-06 -4.6643003d-06 5.8002020d-03 30 -2.5278204d-06 1.6564730d-06 8.8640934d-04 3D+ 4D+ 5D+ -1.4494417d+02 -3.1587486d+01 -4.5354373d+00 ------------ ------------ ------------ *** Large Component *** 1 8.3031897d-05 4.7354394d-05 2.1368197d-05 2 7.3303319d-04 4.1862300d-04 1.8825974d-04 3 4.3185405d-03 2.4802356d-03 1.1203631d-03 4 1.9207037d-02 1.1107178d-02 5.0117808d-03 5 6.5919127d-02 3.8704060d-02 1.7572338d-02 6 1.7118748d-01 1.0215271d-01 4.6423832d-02 7 3.1412084d-01 1.8608114d-01 8.4782826d-02 8 3.6219001d-01 1.8143263d-01 7.7238849d-02 9 2.1485797d-01 -7.6751322d-02 -6.4041176d-02 10 5.0296748d-02 -4.3044671d-01 -2.6526337d-01 11 2.4791765d-03 -4.4738145d-01 -2.4252398d-01 12 3.7831545d-04 -1.5785117d-01 2.0466802d-01 13 -1.5750547d-04 -1.3039791d-02 5.5262552d-01 14 3.2233103d-05 -5.4764761d-04 3.6918353d-01 15 -1.5038071d-05 8.1506169d-05 7.1730121d-02 *** Small Component *** 16 7.6755810d-05 4.3659727d-05 1.9704521d-05 17 4.4812721d-04 2.5504753d-04 1.1457052d-04 18 1.7951758d-03 1.0275644d-03 4.6387294d-04 19 5.5647865d-03 3.2077186d-03 1.4462232d-03 20 1.3557700d-02 7.9371469d-03 3.6013178d-03 21 2.5386684d-02 1.5110732d-02 6.8632308d-03 22 3.3933353d-02 2.0063862d-02 9.1381026d-03 23 2.8780296d-02 1.4411077d-02 6.1372038d-03 24 1.2585669d-02 -4.4458283d-03 -3.7165322d-03 25 2.1584791d-03 -1.8400980d-02 -1.1334609d-02 26 7.8222379d-05 -1.4054562d-02 -7.6176451d-03 27 8.5987881d-06 -3.6117387d-03 4.6762682d-03 28 -2.5569810d-06 -2.1417934d-04 9.0698706d-03 29 3.5796493d-07 -6.2924284d-06 4.2415239d-03 30 -1.1037804d-07 6.1701384d-07 5.4319699d-04 4F- 5F- -1.7817943d+01 -3.3490633d-01 ------------ ------------ *** Large Component *** 1 2.8893282d-04 -9.5314884d-05 2 2.6025575d-03 -8.5577081d-04 3 1.5082291d-02 -4.9961260d-03 4 5.8583634d-02 -1.9387946d-02 5 1.6065588d-01 -5.3526043d-02 6 2.9998710d-01 -9.5909388d-02 7 3.7097758d-01 -1.0445086d-01 8 2.7175349d-01 -6.0532273d-03 9 9.2546157d-02 2.1029965d-01 10 8.9386455d-03 3.8032627d-01 11 4.9123294d-04 3.7481239d-01 12 8.9912079d-05 2.4514452d-01 13 6.7223596d-05 9.2031408d-02 *** Small Component *** 14 9.9590050d-05 -3.2896332d-05 15 6.4113156d-04 -2.1075893d-04 16 2.5808300d-03 -8.5504937d-04 17 7.0864979d-03 -2.3452602d-03 18 1.3902738d-02 -4.6326462d-03 19 1.8782139d-02 -6.0065675d-03 20 1.6815654d-02 -4.7367141d-03 21 8.8888852d-03 -2.0003887d-04 22 2.1533045d-03 4.8996252d-03 23 1.4313472d-04 6.1546875d-03 24 4.9357893d-06 4.0976739d-03 25 5.2738663d-07 1.7388690d-03 26 2.6507159d-07 3.9516705d-04 4F+ 5F+ -1.7313830d+01 -2.9179048d-01 ------------ ------------ *** Large Component *** 1 3.3584769d-04 -1.0853360d-04 2 3.3160732d-03 -1.0704855d-03 3 1.8921370d-02 -6.1423749d-03 4 7.0105161d-02 -2.2782077d-02 5 1.8194472d-01 -5.9302866d-02 6 3.1713969d-01 -9.8312412d-02 7 3.6647617d-01 -9.6480332d-02 8 2.4386274d-01 2.0694962d-02 9 7.1981765d-02 2.3627857d-01 10 5.2985787d-03 3.8180701d-01 11 5.4962223d-04 3.5864598d-01 12 3.5888441d-05 2.3334395d-01 13 8.0304930d-05 8.9240220d-02 *** Small Component *** 14 1.3022273d-04 -4.2069524d-05 15 8.0173005d-04 -2.5867275d-04 16 3.0730116d-03 -9.9718067d-04 17 7.9664701d-03 -2.5878925d-03 18 1.4788815d-02 -4.8188813d-03 19 1.8649581d-02 -5.7801431d-03 20 1.5614771d-02 -4.1107372d-03 21 7.4994604d-03 6.3421931d-04 22 1.5710739d-03 5.1541433d-03 23 8.0297797d-05 5.7789974d-03 24 5.5806238d-06 3.6580832d-03 25 2.4663756d-07 1.5402173d-03 26 3.1701968d-07 3.5547403d-04 * Radial Moments Sym Orb S+ 1 4.72009d+04 1.29784d+02 1.30148d-02 2.39011d-04 5.67278d-06 1.65224d-07 2 7.72029d+03 3.30622d+01 5.37706d-02 3.49941d-03 2.61166d-04 2.20310d-05 3 1.83541d+03 1.19975d+01 1.40076d-01 2.26263d-02 4.02440d-03 7.80248d-04 4 5.02640d+02 5.13374d+00 3.03627d-01 1.04174d-01 3.87902d-02 1.55249d-02 5 1.28419d+02 2.27169d+00 6.31034d-01 4.44864d-01 3.39002d-01 2.77023d-01 6 2.53178d+01 9.43749d-01 1.41200d+00 2.23243d+00 3.85851d+00 7.25628d+00 7 1.85917d+00 2.82106d-01 4.40424d+00 2.21041d+01 1.24600d+02 7.83357d+02 P- 1 2.49170d+03 3.29962d+01 4.33943d-02 2.39864d-03 1.60199d-04 1.25404d-05 2 6.16036d+02 1.18959d+01 1.31463d-01 2.02936d-02 3.48828d-03 6.60260d-04 3 1.67452d+02 5.02307d+00 3.01583d-01 1.03610d-01 3.88245d-02 1.57188d-02 4 4.09947d+01 2.16109d+00 6.54472d-01 4.80775d-01 3.83592d-01 3.30129d-01 5 7.14483d+00 8.42374d-01 1.56710d+00 2.76428d+00 5.36178d+00 1.13604d+01 P+ 1 7.68712d+02 2.36420d+01 5.40030d-02 3.55682d-03 2.76974d-04 2.49327d-05 2 1.93628d+02 9.42773d+00 1.50429d-01 2.63407d-02 5.11602d-03 1.08979d-03 3 5.40822d+01 4.20240d+00 3.37455d-01 1.29391d-01 5.40605d-02 2.43764d-02 4 1.34618d+01 1.86026d+00 7.30492d-01 5.98674d-01 5.33219d-01 5.12622d-01 5 2.15189d+00 7.04226d-01 1.82954d+00 3.78785d+00 8.71109d+00 2.21870d+01 D- 1 1.09431d+02 9.31066d+00 1.29666d-01 1.97403d-02 3.46002d-03 6.88047d-04 2 2.94203d+01 4.01867d+00 3.33153d-01 1.27867d-01 5.42098d-02 2.51257d-02 3 6.45277d+00 1.63674d+00 8.12952d-01 7.51016d-01 7.65760d-01 8.57534d-01 D+ 1 9.59729d+01 8.82826d+00 1.35223d-01 2.13416d-02 3.86454d-03 7.92215d-04 2 2.58640d+01 3.84988d+00 3.43914d-01 1.36022d-01 5.93918d-02 2.83376d-02 3 5.65058d+00 1.57125d+00 8.40734d-01 8.03093d-01 8.47263d-01 9.82766d-01 F- 1 1.55186d+01 3.58271d+00 3.30710d-01 1.27540d-01 5.66154d-02 2.86154d-02 2 1.90066d+00 1.04003d+00 1.29056d+00 2.06892d+00 4.08495d+00 9.88124d+00 F+ 1 1.49168d+01 3.51947d+00 3.35951d-01 1.31457d-01 5.91660d-02 3.03087d-02 2 1.77621d+00 1.00680d+00 1.33936d+00 2.24953d+00 4.70642d+00 1.21888d+01 ------------------------------------------------------------------------------- Curium [Rn]7s(2)6d(1)5f(7) Nuclear Charge = 96.0000000000 Atomic Mass = 247.0000000000 Nuclear Radius = 1.418720d-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ F- F+ Number of Closed Shells 7 5 5 3 3 1 1 Open Shells 0 0 0 1 1 1 1 Conf Weight Open Shell Occupation Numbers 1 0.00093240 0.0 0.0 0.0 1.0 0.0 6.0 1.0 2 0.01958042 0.0 0.0 0.0 1.0 0.0 5.0 2.0 3 0.09790210 0.0 0.0 0.0 1.0 0.0 4.0 3.0 4 0.16317016 0.0 0.0 0.0 1.0 0.0 3.0 4.0 5 0.09790210 0.0 0.0 0.0 1.0 0.0 2.0 5.0 6 0.01958042 0.0 0.0 0.0 1.0 0.0 1.0 6.0 7 0.00093240 0.0 0.0 0.0 1.0 0.0 0.0 7.0 8 0.00139860 0.0 0.0 0.0 0.0 1.0 6.0 1.0 9 0.02937063 0.0 0.0 0.0 0.0 1.0 5.0 2.0 10 0.14685315 0.0 0.0 0.0 0.0 1.0 4.0 3.0 11 0.24475524 0.0 0.0 0.0 0.0 1.0 3.0 4.0 12 0.14685315 0.0 0.0 0.0 0.0 1.0 2.0 5.0 13 0.02937063 0.0 0.0 0.0 0.0 1.0 1.0 6.0 14 0.00139860 0.0 0.0 0.0 0.0 1.0 0.0 7.0 * Energies Total Energy = -3.132445234397727d+04 Mass Energy = -3.128673722972136d+04 Kinetic Energy = 7.050235921223465d+04 Potential Energy = -7.054007432649055d+04 Correction to Virial = 3.771888249228720d+01 Virials -/ = 1.000534948258148d+00 -(CORR )/ = -5.350017065207889d-04 -[+(CORR )]/ = 9.999999465516271d-01 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 3.7291152082d+07 1.0000000000d+00 1.0000000000d+00 2 8.6732948741d+06 1.0000000000d+00 1.0000000000d+00 3 2.7809547594d+06 1.0000000000d+00 1.0000000000d+00 4 1.0034392436d+06 1.0000000000d+00 1.0000000000d+00 5 4.0306882968d+05 1.0000000000d+00 1.0000000000d+00 6 1.7297250576d+05 1.0000000000d+00 1.0000000000d+00 7 7.8890722762d+04 1.0000000000d+00 1.0000000000d+00 8 3.7572313905d+04 1.0000000000d+00 1.0000000000d+00 9 1.8515192110d+04 1.0000000000d+00 1.0000000000d+00 10 9.3211193882d+03 1.0000000000d+00 1.0000000000d+00 11 4.7615306213d+03 1.0000000000d+00 1.0000000000d+00 12 2.4572968521d+03 1.0000000000d+00 1.0000000000d+00 13 1.2795881207d+03 1.0000000000d+00 1.0000000000d+00 14 6.7083738189d+02 1.0000000000d+00 1.0000000000d+00 15 3.5847420856d+02 1.0000000000d+00 1.0000000000d+00 16 1.9407936723d+02 1.0000000000d+00 1.0000000000d+00 17 1.0541056780d+02 1.0000000000d+00 1.0000000000d+00 18 5.9906611700d+01 1.0000000000d+00 1.0000000000d+00 19 3.3566823563d+01 1.0000000000d+00 1.0000000000d+00 20 1.7689143615d+01 1.0000000000d+00 1.0000000000d+00 21 9.9796970184d+00 1.0000000000d+00 1.0000000000d+00 22 5.1272037740d+00 1.0000000000d+00 1.0000000000d+00 23 2.8214759559d+00 1.0000000000d+00 1.0000000000d+00 24 1.4221985183d+00 1.0000000000d+00 1.0000000000d+00 25 7.1103040942d-01 1.0000000000d+00 1.0000000000d+00 26 3.3107602025d-01 1.0000000000d+00 1.0000000000d+00 27 7.6713250627d-02 1.0000000000d+00 1.0000000000d+00 28 3.0254927156d-02 1.0000000000d+00 1.0000000000d+00 P- 1 3.0748554112d+07 1.0000000000d+00 1.0000000000d+00 2 7.7380407338d+06 1.0000000000d+00 1.0000000000d+00 3 2.1886579742d+06 1.0000000000d+00 1.0000000000d+00 4 6.7590470337d+05 1.0000000000d+00 1.0000000000d+00 5 2.2376264164d+05 1.0000000000d+00 1.0000000000d+00 6 7.8517778924d+04 1.0000000000d+00 1.0000000000d+00 7 2.9012882937d+04 1.0000000000d+00 1.0000000000d+00 8 1.1274058529d+04 1.0000000000d+00 1.0000000000d+00 9 4.6051419821d+03 1.0000000000d+00 1.0000000000d+00 10 1.9761765485d+03 1.0000000000d+00 1.0000000000d+00 11 8.8773168032d+02 1.0000000000d+00 1.0000000000d+00 12 4.1508357405d+02 1.0000000000d+00 1.0000000000d+00 13 2.0082377311d+02 1.0000000000d+00 1.0000000000d+00 14 9.7696504778d+01 1.0000000000d+00 1.0000000000d+00 15 4.9295037441d+01 1.0000000000d+00 1.0000000000d+00 16 2.3438257804d+01 1.0000000000d+00 1.0000000000d+00 17 1.1827998483d+01 1.0000000000d+00 1.0000000000d+00 18 5.0826925855d+00 1.0000000000d+00 1.0000000000d+00 19 2.4636311707d+00 1.0000000000d+00 1.0000000000d+00 20 8.5316522140d-01 1.0000000000d+00 1.0000000000d+00 21 3.2953876629d-01 1.0000000000d+00 1.0000000000d+00 P+ 1 1.6699598932d+06 1.0000000000d+00 1.0000000000d+00 2 3.3927604905d+05 1.0000000000d+00 1.0000000000d+00 3 9.7538714148d+04 1.0000000000d+00 1.0000000000d+00 4 3.3715337087d+04 1.0000000000d+00 1.0000000000d+00 5 1.3149461669d+04 1.0000000000d+00 1.0000000000d+00 6 5.5920885448d+03 1.0000000000d+00 1.0000000000d+00 7 2.5390084704d+03 1.0000000000d+00 1.0000000000d+00 8 1.2133385859d+03 1.0000000000d+00 1.0000000000d+00 9 6.0351500930d+02 1.0000000000d+00 1.0000000000d+00 10 3.1015495138d+02 1.0000000000d+00 1.0000000000d+00 11 1.6304991436d+02 1.0000000000d+00 1.0000000000d+00 12 8.6097606853d+01 1.0000000000d+00 1.0000000000d+00 13 4.6676007828d+01 1.0000000000d+00 1.0000000000d+00 14 2.5145566264d+01 1.0000000000d+00 1.0000000000d+00 15 1.3524061275d+01 1.0000000000d+00 1.0000000000d+00 16 7.2851911751d+00 1.0000000000d+00 1.0000000000d+00 17 3.7862903118d+00 1.0000000000d+00 1.0000000000d+00 18 1.9109476342d+00 1.0000000000d+00 1.0000000000d+00 19 8.2856648575d-01 1.0000000000d+00 1.0000000000d+00 20 3.7428732271d-01 1.0000000000d+00 1.0000000000d+00 21 1.5017228562d-01 1.0000000000d+00 1.0000000000d+00 D- 1 8.3831494094d+04 1.0000000000d+00 1.0000000000d+00 2 1.9611912948d+04 1.0000000000d+00 1.0000000000d+00 3 6.2843390606d+03 1.0000000000d+00 1.0000000000d+00 4 2.4038449300d+03 1.0000000000d+00 1.0000000000d+00 5 1.0366720445d+03 1.0000000000d+00 1.0000000000d+00 6 4.8524333487d+02 1.0000000000d+00 1.0000000000d+00 7 2.4102867352d+02 1.0000000000d+00 1.0000000000d+00 8 1.2449251885d+02 1.0000000000d+00 1.0000000000d+00 9 6.6185202162d+01 1.0000000000d+00 1.0000000000d+00 10 3.5520623646d+01 1.0000000000d+00 1.0000000000d+00 11 1.8884269646d+01 1.0000000000d+00 1.0000000000d+00 12 1.0088137452d+01 1.0000000000d+00 1.0000000000d+00 13 5.2553421930d+00 1.0000000000d+00 1.0000000000d+00 14 2.6637113708d+00 1.0000000000d+00 1.0000000000d+00 15 1.2701637334d+00 1.0000000000d+00 1.0000000000d+00 16 4.9690509704d-01 1.0000000000d+00 1.0000000000d+00 17 1.8119297500d-01 1.0000000000d+00 1.0000000000d+00 18 5.9393015136d-02 1.0000000000d+00 1.0000000000d+00 D+ 1 2.6072518285d+04 1.0000000000d+00 1.0000000000d+00 2 7.4706011869d+03 1.0000000000d+00 1.0000000000d+00 3 2.8104270606d+03 1.0000000000d+00 1.0000000000d+00 4 1.2181225037d+03 1.0000000000d+00 1.0000000000d+00 5 5.7673510145d+02 1.0000000000d+00 1.0000000000d+00 6 2.8994550702d+02 1.0000000000d+00 1.0000000000d+00 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-7.0415960d-04 -3.6616791d-02 -7.0195948d-01 4.5769571d-01 18 4.7026494d-05 1.9772285d-04 -8.4807943d-04 -5.3333648d-01 3.3551134d-01 19 -1.7826450d-05 -9.6229005d-05 8.6348017d-05 -6.6600334d-02 -4.3036710d-01 20 7.4723551d-06 4.0809425d-05 -2.0119035d-05 3.0883954d-03 -6.4397490d-01 21 -1.9248327d-06 -1.0680607d-05 2.4798188d-06 -7.2895170d-04 -1.8285417d-01 *** Small Component *** 22 3.6745877d-05 -2.0102264d-05 -1.0684329d-05 5.2518728d-06 -2.0437645d-06 23 1.7832214d-04 -9.7708465d-05 -5.1898005d-05 2.5411209d-05 -9.9045690d-06 24 6.4046837d-04 -3.5099031d-04 -1.8662103d-04 9.1717109d-05 -3.5696825d-05 25 1.9260160d-03 -1.0590340d-03 -5.6306145d-04 2.7583625d-04 -1.0750777d-04 26 5.0589039d-03 -2.7935246d-03 -1.4881988d-03 7.3164436d-04 -2.8481475d-04 27 1.1758640d-02 -6.5662465d-03 -3.5053519d-03 1.7192194d-03 -6.7020904d-04 28 2.3986069d-02 -1.3651985d-02 -7.3314791d-03 3.6122911d-03 -1.4068393d-03 29 4.1225907d-02 -2.4276419d-02 -1.3143012d-02 6.4683553d-03 -2.5240134d-03 30 5.5292133d-02 -3.4052585d-02 -1.8702463d-02 9.2790822d-03 -3.6174202d-03 31 5.0045239d-02 -3.0868208d-02 -1.6861344d-02 8.2888017d-03 -3.2400892d-03 32 2.4538103d-02 -3.3544241d-03 7.1600596d-04 -6.5680668d-04 3.0156446d-04 33 4.4973344d-03 2.9858225d-02 2.6059539d-02 -1.4650752d-02 5.8507179d-03 34 9.4239151d-05 2.8509953d-02 2.5152290d-02 -1.3740520d-02 5.5264669d-03 35 2.3420841d-05 7.9746567d-03 -6.1579476d-03 5.8280478d-03 -2.6419466d-03 36 -1.3594731d-05 4.4884359d-04 -2.0834450d-02 1.9391346d-02 -8.6397428d-03 37 4.5762672d-06 2.7690404d-05 -7.8066531d-03 4.2177946d-03 -1.5649170d-03 38 -1.5209480d-06 -1.0633754d-05 -5.8132153d-04 -1.1143432d-02 7.2645357d-03 39 5.6950104d-07 1.9758236d-06 -9.8254939d-06 -6.0160872d-03 3.7842504d-03 40 -1.4711756d-07 -6.0848333d-07 7.4553493d-07 -4.9476227d-04 -3.1959295d-03 41 4.3312626d-08 1.5710740d-07 -1.4529622d-07 1.5442628d-05 -3.2144018d-03 42 -7.6915632d-09 -2.0574355d-08 2.0382169d-08 -2.3116944d-06 -5.7813065d-04 3D- 4D- 5D- 6D- -1.5753532d+02 -3.5032578d+01 -5.3430065d+00 -1.8675044d-01 ------------ ------------ ------------ ------------ *** Large Component *** 1 8.2602493d-05 -4.6988110d-05 2.1512249d-05 5.1155681d-06 2 4.1174529d-04 -2.3475715d-04 1.0773028d-04 2.5692131d-05 3 1.8082154d-03 -1.0332552d-03 4.7318325d-04 1.1240365d-04 4 7.3935544d-03 -4.2529836d-03 1.9567902d-03 4.6717812d-04 5 2.7047468d-02 -1.5673211d-02 7.1998437d-03 1.7106028d-03 6 8.2922808d-02 -4.8836415d-02 2.2603101d-02 5.4030584d-03 7 1.9900262d-01 -1.1865980d-01 5.4843949d-02 1.3033526d-02 8 3.3695891d-01 -1.9718226d-01 9.1320577d-02 2.1883794d-02 9 3.4824263d-01 -1.5337982d-01 6.2108863d-02 1.4189990d-02 10 1.7731114d-01 1.5486721d-01 -1.0927055d-01 -2.7041225d-02 11 3.2608222d-02 4.7906137d-01 -3.0223747d-01 -7.6715490d-02 12 1.1551918d-03 3.9542300d-01 -1.7420274d-01 -3.7039010d-02 13 1.1508755d-04 1.0428400d-01 3.4443567d-01 1.0520812d-01 14 -6.6799264d-05 4.3348910d-03 5.6165367d-01 1.8062444d-01 15 3.6150514d-06 4.7318134d-04 2.6618807d-01 -1.5695406d-02 16 -5.2520183d-06 -1.6120391d-04 2.7279857d-02 -3.5545056d-01 17 1.1207272d-06 5.6411633d-05 -1.3233532d-03 -5.2041561d-01 18 -3.3734760d-07 -1.7005135d-05 4.6273002d-04 -3.3425709d-01 *** Small Component *** 19 3.1822358d-05 -1.8117212d-05 8.2703293d-06 1.9571448d-06 20 1.7568124d-04 -1.0043476d-04 4.6213146d-05 1.1057296d-05 21 7.3721217d-04 -4.2179529d-04 1.9300497d-04 4.5769596d-05 22 2.5356986d-03 -1.4601773d-03 6.7235218d-04 1.6066276d-04 23 7.1693289d-03 -4.1563941d-03 1.9090681d-03 4.5340132d-04 24 1.6316826d-02 -9.6131431d-03 4.4501684d-03 1.0639874d-03 25 2.8716067d-02 -1.7136666d-02 7.9215164d-03 1.8823893d-03 26 3.5631066d-02 -2.0884625d-02 9.6764664d-03 2.3191426d-03 27 2.7075043d-02 -1.1978827d-02 4.8607965d-03 1.1109940d-03 28 1.0084950d-02 8.8520394d-03 -6.2435723d-03 -1.5448889d-03 29 1.3069989d-03 2.0058130d-02 -1.2653240d-02 -3.2117511d-03 30 5.5480583d-06 1.2112019d-02 -5.3425757d-03 -1.1365234d-03 31 -1.1615334d-05 2.3011859d-03 7.6153861d-03 2.3260135d-03 32 -7.2189513d-06 6.4626349d-05 8.8465966d-03 2.8451155d-03 33 -2.9227755d-06 3.4038604d-06 2.8948555d-03 -1.7066601d-04 34 -1.1586127d-06 -1.7740404d-06 1.8512639d-04 -2.4186747d-03 35 -3.0263270d-07 5.0817178d-08 -5.5914458d-06 -2.1384404d-03 36 -1.0939119d-07 -1.0552223d-07 1.0376215d-06 -7.8636745d-04 3D+ 4D+ 5D+ 6D+ -1.4948024d+02 -3.3016939d+01 -4.9232036d+00 -1.7635676d-01 ------------ ------------ ------------ ------------ *** Large Component *** 1 6.2312407d-05 -3.5672575d-05 1.6247265d-05 -3.6934043d-06 2 5.4581639d-04 -3.1330574d-04 1.4286738d-04 -3.2756306d-05 3 3.2337105d-03 -1.8633347d-03 8.5005782d-04 -1.9355069d-04 4 1.4605689d-02 -8.4773824d-03 3.8755817d-03 -8.8806251d-04 5 5.1381321d-02 -3.0187462d-02 1.3836668d-02 -3.1544611d-03 6 1.3937053d-01 -8.3393709d-02 3.8400498d-02 -8.8096555d-03 7 2.7500535d-01 -1.6457894d-01 7.5784011d-02 -1.7268978d-02 8 3.6147980d-01 -1.9917344d-01 8.9456424d-02 -2.0536963d-02 9 2.6374024d-01 -2.2095453d-02 -1.0733756d-02 3.5954556d-03 10 8.6890374d-02 3.2710365d-01 -2.0583418d-01 4.8553647d-02 11 8.5296119d-03 4.8427516d-01 -2.9732761d-01 7.2186054d-02 12 6.0794183d-04 2.5598959d-01 1.5608792d-02 -1.5497467d-02 13 -1.7783276d-04 4.2395130d-02 4.6811816d-01 -1.3364699d-01 14 4.6762546d-05 1.2364958d-03 4.7850895d-01 -1.4388400d-01 15 -3.3503781d-05 1.0066106d-04 1.7095495d-01 8.1768856d-02 16 7.9612551d-06 -2.5749485d-05 1.3238393d-02 3.8798703d-01 17 -3.5290654d-06 7.0107936d-06 -4.4059961d-04 4.9783963d-01 18 1.0808084d-06 -2.6246830d-06 2.0765322d-04 2.8564670d-01 *** Small Component *** 19 6.0450977d-05 -3.4504318d-05 1.5701777d-05 -3.5617068d-06 20 3.5506256d-04 -2.0314060d-04 9.2566840d-05 -2.1238753d-05 21 1.4421427d-03 -8.2808494d-04 3.7745074d-04 -8.5898229d-05 22 4.5634929d-03 -2.6399954d-03 1.2060144d-03 -2.7636676d-04 23 1.1443287d-02 -6.7024820d-03 3.0699103d-03 -6.9973113d-04 24 2.2472428d-02 -1.3410480d-02 6.1714762d-03 -1.4157656d-03 25 3.2458295d-02 -1.9383432d-02 8.9213809d-03 -2.0327281d-03 26 3.1521504d-02 -1.7350265d-02 7.7925957d-03 -1.7890071d-03 27 1.7078753d-02 -1.4663231d-03 -6.6863170d-04 2.2629541d-04 28 4.1677705d-03 1.5620078d-02 -9.8247144d-03 2.3173150d-03 29 3.0367044d-04 1.7148905d-02 -1.0525099d-02 2.5552410d-03 30 1.5570103d-05 6.6985384d-03 4.0361876d-04 -4.0387683d-04 31 -3.2081993d-06 8.0866712d-04 8.9233534d-03 -2.5473870d-03 32 5.5200132d-07 1.7023927d-05 6.5475039d-03 -1.9686557d-03 33 -2.8454892d-07 9.2216905d-07 1.6285553d-03 7.7875532d-04 34 3.5832433d-08 -1.4127684d-07 7.8881086d-05 2.3117763d-03 35 -8.4357641d-09 2.0905435d-08 -1.6005264d-06 1.8110445d-03 36 9.4442765d-10 -4.1793193d-09 4.4193557d-07 6.0895181d-04 4F- 5F- -1.8962784d+01 -5.3619687d-01 ------------ ------------ *** Large Component *** 1 2.3999560d-04 -8.4179837d-05 2 2.1659488d-03 -7.5664636d-04 3 1.2699724d-02 -4.4721494d-03 4 5.0665860d-02 -1.7815195d-02 5 1.4320733d-01 -5.0764868d-02 6 2.8028353d-01 -9.6090259d-02 7 3.6662102d-01 -1.1302580d-01 8 2.9311034d-01 -3.0595358d-02 9 1.1546922d-01 1.8483601d-01 10 1.4907188d-02 3.7711640d-01 11 5.1224627d-04 3.8807806d-01 12 1.8330690d-04 2.4859546d-01 13 4.5750849d-05 8.2798578d-02 *** Small Component *** 14 8.4995212d-05 -2.9859676d-05 15 5.5686735d-04 -1.9447203d-04 16 2.2832070d-03 -8.0415219d-04 17 6.4630732d-03 -2.2725836d-03 18 1.3106476d-02 -4.6466186d-03 19 1.8618578d-02 -6.3848628d-03 20 1.7705742d-02 -5.4608866d-03 21 1.0273381d-02 -1.0749885d-03 22 2.9044629d-03 4.6538407d-03 23 2.6137063d-04 6.6605981d-03 24 5.6061875d-06 4.6919217d-03 25 1.3054308d-06 1.9861463d-03 26 1.8958162d-07 4.1020427d-04 4F+ 5F+ -1.8425531d+01 -4.8488801d-01 ------------ ------------ *** Large Component *** 1 2.4625402d-04 -8.5141165d-05 2 2.4557691d-03 -8.4600696d-04 3 1.4378988d-02 -4.9897536d-03 4 5.5886296d-02 -1.9382125d-02 5 1.5386303d-01 -5.3726647d-02 6 2.8955139d-01 -9.7360689d-02 7 3.6688990d-01 -1.0955815d-01 8 2.7960861d-01 -1.7293627d-02 9 1.0254450d-01 1.9898164d-01 10 1.1854695d-02 3.7959795d-01 11 5.1974764d-04 3.7962523d-01 12 1.4408276d-04 2.4296827d-01 13 5.7626993d-05 8.2304255d-02 *** Small Component *** 14 1.0181033d-04 -3.5193064d-05 15 6.3730648d-04 -2.1941565d-04 16 2.5161470d-03 -8.7277805d-04 17 6.8633978d-03 -2.3793339d-03 18 1.3539087d-02 -4.7261527d-03 19 1.8496029d-02 -6.2177651d-03 20 1.7044007d-02 -5.0891155d-03 21 9.4310659d-03 -5.8526537d-04 22 2.4812206d-03 4.8113423d-03 23 2.0112297d-04 6.4340090d-03 24 5.9829781d-06 4.3967536d-03 25 1.1143650d-06 1.8547645d-03 26 2.6766009d-07 3.8836183d-04 * Radial Moments Sym Orb S+ 1 4.95291d+04 1.32361d+02 1.28071d-02 2.31814d-04 5.42762d-06 1.56030d-07 2 8.18364d+03 3.38029d+01 5.28824d-02 3.38781d-03 2.48973d-04 2.06863d-05 3 1.94950d+03 1.22486d+01 1.37843d-01 2.19177d-02 3.83776d-03 7.32518d-04 4 5.36142d+02 5.24266d+00 2.98471d-01 1.00679d-01 3.68528d-02 1.44969d-02 5 1.38530d+02 2.32828d+00 6.17940d-01 4.26596d-01 3.18231d-01 2.54451d-01 6 2.80834d+01 9.77557d-01 1.36751d+00 2.09208d+00 3.49369d+00 6.33708d+00 7 2.37359d+00 3.06058d-01 4.08280d+00 1.89685d+01 9.87860d+01 5.72933d+02 P- 1 2.65214d+03 3.37455d+01 4.26066d-02 2.31590d-03 1.52213d-04 1.17317d-05 2 6.57863d+02 1.21486d+01 1.29277d-01 1.96331d-02 3.32054d-03 6.18470d-04 3 1.79650d+02 5.13227d+00 2.96243d-01 9.99883d-02 3.68050d-02 1.46351d-02 4 4.45314d+01 2.21784d+00 6.39958d-01 4.59662d-01 3.58419d-01 3.01259d-01 5 8.03420d+00 8.76592d-01 1.51067d+00 2.56603d+00 4.78543d+00 9.73446d+00 P+ 1 7.88071d+02 2.39326d+01 5.33592d-02 3.47295d-03 2.67269d-04 2.37777d-05 2 1.99178d+02 9.55756d+00 1.48484d-01 2.56679d-02 4.92149d-03 1.03484d-03 3 5.59282d+01 4.27046d+00 3.32414d-01 1.25561d-01 5.16690d-02 2.29407d-02 4 1.41027d+01 1.90130d+00 7.15905d-01 5.74924d-01 5.01487d-01 4.71791d-01 5 2.34681d+00 7.32389d-01 1.76207d+00 3.50776d+00 7.73898d+00 1.88689d+01 D- 1 1.12563d+02 9.44041d+00 1.27907d-01 1.92091d-02 3.32125d-03 6.51441d-04 2 3.04573d+01 4.08757d+00 3.27703d-01 1.23712d-01 5.15723d-02 2.34949d-02 3 6.80693d+00 1.68006d+00 7.92914d-01 7.14007d-01 7.08801d-01 7.71951d-01 4 5.07622d-01 4.32589d-01 3.01125d+00 1.08704d+01 4.61414d+01 2.26082d+02 D+ 1 9.84149d+01 8.94023d+00 1.33516d-01 2.08038d-02 3.71869d-03 7.52406d-04 2 2.66980d+01 3.91237d+00 3.38486d-01 1.31750d-01 5.65942d-02 2.65542d-02 3 5.94612d+00 1.61199d+00 8.20203d-01 7.63778d-01 7.84408d-01 8.84294d-01 4 4.22892d-01 4.07630d-01 3.17772d+00 1.21101d+01 5.43854d+01 2.83030d+02 F- 1 1.60814d+01 3.64871d+00 3.24417d-01 1.22612d-01 5.32877d-02 2.63442d-02 2 2.16451d+00 1.11657d+00 1.18536d+00 1.70595d+00 2.94189d+00 6.05833d+00 F+ 1 1.54456d+01 3.58312d+00 3.29643d-01 1.26436d-01 5.57235d-02 2.79243d-02 2 2.03857d+00 1.08629d+00 1.22013d+00 1.81616d+00 3.25886d+00 7.02417d+00 ------------------------------------------------------------------------------- Berkelium [Rn]7s(2)6d(1)5f(8) Nuclear Charge = 97.0000000000 Atomic Mass = 247.0000000000 Nuclear Radius = 1.418720d-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ F- F+ Number of Closed Shells 7 5 5 3 3 1 1 Open Shells 0 0 0 1 1 1 1 Conf Weight Open Shell Occupation Numbers 1 0.00372960 0.0 0.0 0.0 1.0 0.0 6.0 2.0 2 0.04475524 0.0 0.0 0.0 1.0 0.0 5.0 3.0 3 0.13986014 0.0 0.0 0.0 1.0 0.0 4.0 4.0 4 0.14918415 0.0 0.0 0.0 1.0 0.0 3.0 5.0 5 0.05594406 0.0 0.0 0.0 1.0 0.0 2.0 6.0 6 0.00639361 0.0 0.0 0.0 1.0 0.0 1.0 7.0 7 0.00013320 0.0 0.0 0.0 1.0 0.0 0.0 8.0 8 0.00559441 0.0 0.0 0.0 0.0 1.0 6.0 2.0 9 0.06713287 0.0 0.0 0.0 0.0 1.0 5.0 3.0 10 0.20979021 0.0 0.0 0.0 0.0 1.0 4.0 4.0 11 0.22377622 0.0 0.0 0.0 0.0 1.0 3.0 5.0 12 0.08391608 0.0 0.0 0.0 0.0 1.0 2.0 6.0 13 0.00959041 0.0 0.0 0.0 0.0 1.0 1.0 7.0 14 0.00019980 0.0 0.0 0.0 0.0 1.0 0.0 8.0 * Energies Total Energy = -3.218343599234290d+04 Mass Energy = -3.214198220318494d+04 Kinetic Energy = 7.269398546721310d+04 Potential Energy = -7.273543925637106d+04 Correction to Virial = 4.145734465045178d+01 Virials -/ = 1.000570250604524d+00 -(CORR )/ = -5.702995149323616d-04 -[+(CORR )]/ = 9.999999510895918d-01 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 3.7336603451d+07 1.0000000000d+00 1.0000000000d+00 2 8.6792885047d+06 1.0000000000d+00 1.0000000000d+00 3 2.7811790765d+06 1.0000000000d+00 1.0000000000d+00 4 1.0024223744d+06 1.0000000000d+00 1.0000000000d+00 5 4.0214840144d+05 1.0000000000d+00 1.0000000000d+00 6 1.7229196128d+05 1.0000000000d+00 1.0000000000d+00 7 7.8433413922d+04 1.0000000000d+00 1.0000000000d+00 8 3.7333108049d+04 1.0000000000d+00 1.0000000000d+00 9 1.8443733941d+04 1.0000000000d+00 1.0000000000d+00 10 9.3317716283d+03 1.0000000000d+00 1.0000000000d+00 11 4.7929897694d+03 1.0000000000d+00 1.0000000000d+00 12 2.4850877610d+03 1.0000000000d+00 1.0000000000d+00 13 1.2990383521d+03 1.0000000000d+00 1.0000000000d+00 14 6.8316589452d+02 1.0000000000d+00 1.0000000000d+00 15 3.6587083739d+02 1.0000000000d+00 1.0000000000d+00 16 1.9836049594d+02 1.0000000000d+00 1.0000000000d+00 17 1.0773168613d+02 1.0000000000d+00 1.0000000000d+00 18 6.1369236022d+01 1.0000000000d+00 1.0000000000d+00 19 3.4445628469d+01 1.0000000000d+00 1.0000000000d+00 20 1.8200197096d+01 1.0000000000d+00 1.0000000000d+00 21 1.0296296656d+01 1.0000000000d+00 1.0000000000d+00 22 5.3208200055d+00 1.0000000000d+00 1.0000000000d+00 23 2.9209466664d+00 1.0000000000d+00 1.0000000000d+00 24 1.4663345056d+00 1.0000000000d+00 1.0000000000d+00 25 7.3537928033d-01 1.0000000000d+00 1.0000000000d+00 26 3.4237935268d-01 1.0000000000d+00 1.0000000000d+00 27 7.8966732585d-02 1.0000000000d+00 1.0000000000d+00 28 3.1017358390d-02 1.0000000000d+00 1.0000000000d+00 P- 1 3.1158884019d+07 1.0000000000d+00 1.0000000000d+00 2 7.9271629841d+06 1.0000000000d+00 1.0000000000d+00 3 2.2646269456d+06 1.0000000000d+00 1.0000000000d+00 4 7.0458267006d+05 1.0000000000d+00 1.0000000000d+00 5 2.3400043477d+05 1.0000000000d+00 1.0000000000d+00 6 8.2229191760d+04 1.0000000000d+00 1.0000000000d+00 7 3.0450162010d+04 1.0000000000d+00 1.0000000000d+00 8 1.1842685335d+04 1.0000000000d+00 1.0000000000d+00 9 4.8348989588d+03 1.0000000000d+00 1.0000000000d+00 10 2.0719920900d+03 1.0000000000d+00 1.0000000000d+00 11 9.2902306995d+02 1.0000000000d+00 1.0000000000d+00 12 4.3358046352d+02 1.0000000000d+00 1.0000000000d+00 13 2.0947841714d+02 1.0000000000d+00 1.0000000000d+00 14 1.0174555598d+02 1.0000000000d+00 1.0000000000d+00 15 5.1284087571d+01 1.0000000000d+00 1.0000000000d+00 16 2.4364604343d+01 1.0000000000d+00 1.0000000000d+00 17 1.2312381979d+01 1.0000000000d+00 1.0000000000d+00 18 5.3023436409d+00 1.0000000000d+00 1.0000000000d+00 19 2.5726519858d+00 1.0000000000d+00 1.0000000000d+00 20 8.9196229737d-01 1.0000000000d+00 1.0000000000d+00 21 3.4374540297d-01 1.0000000000d+00 1.0000000000d+00 P+ 1 1.6735989103d+06 1.0000000000d+00 1.0000000000d+00 2 3.3980308547d+05 1.0000000000d+00 1.0000000000d+00 3 9.7670623206d+04 1.0000000000d+00 1.0000000000d+00 4 3.3763547160d+04 1.0000000000d+00 1.0000000000d+00 5 1.3172806699d+04 1.0000000000d+00 1.0000000000d+00 6 5.6062072479d+03 1.0000000000d+00 1.0000000000d+00 7 2.5483676035d+03 1.0000000000d+00 1.0000000000d+00 8 1.2195401175d+03 1.0000000000d+00 1.0000000000d+00 9 6.0753275267d+02 1.0000000000d+00 1.0000000000d+00 10 3.1269170921d+02 1.0000000000d+00 1.0000000000d+00 11 1.6463992435d+02 1.0000000000d+00 1.0000000000d+00 12 8.7104170776d+01 1.0000000000d+00 1.0000000000d+00 13 4.7250217427d+01 1.0000000000d+00 1.0000000000d+00 14 2.5456819638d+01 1.0000000000d+00 1.0000000000d+00 15 1.3736481901d+01 1.0000000000d+00 1.0000000000d+00 16 7.4081887949d+00 1.0000000000d+00 1.0000000000d+00 17 3.8719118354d+00 1.0000000000d+00 1.0000000000d+00 18 1.9570108379d+00 1.0000000000d+00 1.0000000000d+00 19 8.4928854273d-01 1.0000000000d+00 1.0000000000d+00 20 3.8256900881d-01 1.0000000000d+00 1.0000000000d+00 21 1.5325129119d-01 1.0000000000d+00 1.0000000000d+00 D- 1 8.3761744428d+04 1.0000000000d+00 1.0000000000d+00 2 1.9587131428d+04 1.0000000000d+00 1.0000000000d+00 3 6.2738647884d+03 1.0000000000d+00 1.0000000000d+00 4 2.4003051875d+03 1.0000000000d+00 1.0000000000d+00 5 1.0359590355d+03 1.0000000000d+00 1.0000000000d+00 6 4.8555860861d+02 1.0000000000d+00 1.0000000000d+00 7 2.4160925936d+02 1.0000000000d+00 1.0000000000d+00 8 1.2499018827d+02 1.0000000000d+00 1.0000000000d+00 9 6.6554605711d+01 1.0000000000d+00 1.0000000000d+00 10 3.5768822430d+01 1.0000000000d+00 1.0000000000d+00 11 1.9051652691d+01 1.0000000000d+00 1.0000000000d+00 12 1.0204108429d+01 1.0000000000d+00 1.0000000000d+00 13 5.3299968302d+00 1.0000000000d+00 1.0000000000d+00 14 2.7032394654d+00 1.0000000000d+00 1.0000000000d+00 15 1.2879828853d+00 1.0000000000d+00 1.0000000000d+00 16 4.9814230849d-01 1.0000000000d+00 1.0000000000d+00 17 1.8020214431d-01 1.0000000000d+00 1.0000000000d+00 18 5.8752259384d-02 1.0000000000d+00 1.0000000000d+00 D+ 1 2.6092117459d+04 1.0000000000d+00 1.0000000000d+00 2 7.4791890512d+03 1.0000000000d+00 1.0000000000d+00 3 2.8173417416d+03 1.0000000000d+00 1.0000000000d+00 4 1.2237589381d+03 1.0000000000d+00 1.0000000000d+00 5 5.8077949664d+02 1.0000000000d+00 1.0000000000d+00 6 2.9260109381d+02 1.0000000000d+00 1.0000000000d+00 7 1.5352595088d+02 1.0000000000d+00 1.0000000000d+00 8 8.2843847735d+01 1.0000000000d+00 1.0000000000d+00 9 4.5388761848d+01 1.0000000000d+00 1.0000000000d+00 10 2.4851336081d+01 1.0000000000d+00 1.0000000000d+00 11 1.3638739362d+01 1.0000000000d+00 1.0000000000d+00 12 7.4450163873d+00 1.0000000000d+00 1.0000000000d+00 13 3.9624514073d+00 1.0000000000d+00 1.0000000000d+00 14 2.0408087246d+00 1.0000000000d+00 1.0000000000d+00 15 9.8800837243d-01 1.0000000000d+00 1.0000000000d+00 16 3.8407771845d-01 1.0000000000d+00 1.0000000000d+00 17 1.4200001743d-01 1.0000000000d+00 1.0000000000d+00 18 4.8401744710d-02 1.0000000000d+00 1.0000000000d+00 F- 1 2.3771725829d+03 1.0000000000d+00 1.0000000000d+00 2 7.7280915101d+02 1.0000000000d+00 1.0000000000d+00 3 3.1961630553d+02 1.0000000000d+00 1.0000000000d+00 4 1.4981090720d+02 1.0000000000d+00 1.0000000000d+00 5 7.4774924950d+01 1.0000000000d+00 1.0000000000d+00 6 3.8846581352d+01 1.0000000000d+00 1.0000000000d+00 7 2.0406196796d+01 1.0000000000d+00 1.0000000000d+00 8 1.0736154301d+01 1.0000000000d+00 1.0000000000d+00 9 5.5429669273d+00 1.0000000000d+00 1.0000000000d+00 10 2.7369761424d+00 1.0000000000d+00 1.0000000000d+00 11 1.2877311706d+00 1.0000000000d+00 1.0000000000d+00 12 5.6453999408d-01 1.0000000000d+00 1.0000000000d+00 13 2.1821888136d-01 1.0000000000d+00 1.0000000000d+00 F+ 1 1.8257577246d+03 1.0000000000d+00 1.0000000000d+00 2 6.3594707061d+02 1.0000000000d+00 1.0000000000d+00 3 2.7444331146d+02 1.0000000000d+00 1.0000000000d+00 4 1.3169712329d+02 1.0000000000d+00 1.0000000000d+00 5 6.6783650189d+01 1.0000000000d+00 1.0000000000d+00 6 3.4997628859d+01 1.0000000000d+00 1.0000000000d+00 7 1.8476232114d+01 1.0000000000d+00 1.0000000000d+00 8 9.7433226858d+00 1.0000000000d+00 1.0000000000d+00 9 5.0242092622d+00 1.0000000000d+00 1.0000000000d+00 10 2.4806014255d+00 1.0000000000d+00 1.0000000000d+00 11 1.1637700311d+00 1.0000000000d+00 1.0000000000d+00 12 5.0824779608d-01 1.0000000000d+00 1.0000000000d+00 13 1.9555659633d-01 1.0000000000d+00 1.0000000000d+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ 7S+ -4.8714670d+03 -9.3606240d+02 -2.4371458d+02 -6.5881148d+01 -1.5677951d+01 -2.5518060d+00 -2.2003039d-01 ------------ ------------ ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 1.0323270d-03 -4.4032291d-04 2.1626379d-04 -1.1356038d-04 5.7833725d-05 -2.5952075d-05 7.3873238d-06 2 2.2032609d-03 -9.4639130d-04 4.6538478d-04 -2.4445475d-04 1.2450319d-04 -5.5867644d-05 1.5903412d-05 3 4.2596803d-03 -1.8432873d-03 9.0758681d-04 -4.7686916d-04 2.4290620d-04 -1.0901000d-04 3.1029390d-05 4 7.4972887d-03 -3.2832857d-03 1.6199046d-03 -8.5163459d-04 4.3383360d-04 -1.9467053d-04 5.5418272d-05 5 1.3022335d-02 -5.7793362d-03 2.8578534d-03 -1.5031568d-03 7.6594690d-04 -3.4380176d-04 9.7856357d-05 6 2.2032933d-02 -9.9544534d-03 4.9372523d-03 -2.5993310d-03 1.3245078d-03 -5.9428330d-04 1.6920147d-04 7 3.6942650d-02 -1.7024615d-02 8.4724565d-03 -4.4629696d-03 2.2754855d-03 -1.0217808d-03 2.9078085d-04 8 6.0896648d-02 -2.8771162d-02 1.4380218d-02 -7.5869820d-03 3.8673071d-03 -1.7346899d-03 4.9404068d-04 9 9.8307265d-02 -4.7894873d-02 2.4073109d-02 -1.2709922d-02 6.4867580d-03 -2.9150756d-03 8.2928143d-04 10 1.5217913d-01 -7.7412772d-02 3.9232656d-02 -2.0780483d-02 1.0598865d-02 -4.7514986d-03 1.3539965d-03 11 2.1396154d-01 -1.1569786d-01 5.9364369d-02 -3.1496099d-02 1.6108414d-02 -7.2504227d-03 2.0611319d-03 12 2.4561890d-01 -1.4180799d-01 7.3708770d-02 -3.9338291d-02 2.0076318d-02 -8.9821155d-03 2.5638408d-03 13 1.9068158d-01 -9.0793375d-02 4.3469321d-02 -2.2433262d-02 1.1471419d-02 -5.2218003d-03 1.4718229d-03 14 7.2136947d-02 1.2612120d-01 -1.0541990d-01 6.2689794d-02 -3.3293883d-02 1.5252272d-02 -4.3163478d-03 15 6.8963754d-03 4.2652743d-01 -3.8884385d-01 2.4128840d-01 -1.2820733d-01 5.7816867d-02 -1.6557594d-02 16 7.3502958d-04 4.3322758d-01 -4.9045895d-01 3.2337490d-01 -1.7726039d-01 8.1794883d-02 -2.3203694d-02 17 -5.0018589d-04 1.4427111d-01 5.8306572d-02 -7.7659569d-02 5.1715294d-02 -2.6438154d-02 7.2808393d-03 18 3.3658185d-04 6.4541378d-03 7.3037740d-01 -8.9245140d-01 5.7402436d-01 -2.6992262d-01 7.8173788d-02 19 -2.4133816d-04 2.1458842d-03 4.8144161d-01 -6.3716008d-01 4.3671349d-01 -2.1931085d-01 6.2312104d-02 20 1.6459954d-04 -1.2068150d-03 6.7277414d-02 7.0077713d-01 -7.2741217d-01 4.0338705d-01 -1.1650117d-01 21 -1.0437124d-04 5.8822020d-04 -2.4699777d-03 8.1998881d-01 -1.2199847d+00 7.2362028d-01 -2.1931071d-01 22 6.1648078d-05 -3.3309882d-04 1.4083860d-03 1.2998717d-01 4.3622730d-01 -3.8902466d-01 1.2854128d-01 23 -3.6729103d-05 2.0489909d-04 -8.6722222d-04 -5.2804151d-03 1.0484422d+00 -1.1165626d+00 3.5971933d-01 24 1.7208330d-05 -9.1773144d-05 3.0882047d-04 2.7510406d-03 2.1965116d-01 -9.4022093d-02 4.4140315d-02 25 -7.3721209d-06 3.8696720d-05 -1.2283187d-04 -9.5004159d-04 -1.3835115d-03 9.4741207d-01 -4.5398751d-01 26 2.1606706d-06 -1.1590312d-05 3.9210936d-05 2.0988808d-04 1.7615833d-03 4.9553449d-01 -3.6881808d-01 27 -4.3813161d-07 2.3128750d-06 -7.3777447d-06 -4.5555674d-05 -2.3344547d-04 1.4116355d-02 6.8641292d-01 28 1.6755767d-07 -8.8521943d-07 2.8285785d-06 1.7172116d-05 8.6127252d-05 -3.0845708d-03 5.4163850d-01 *** Small Component *** 29 1.1488588d-03 -4.8798158d-04 2.3949675d-04 -1.2573371d-04 6.4031737d-05 -2.8734585d-05 8.1790553d-06 30 3.3906645d-03 -1.4408489d-03 7.0721223d-04 -3.7131474d-04 1.8908322d-04 -8.4837811d-05 2.4151043d-05 31 6.0178707d-03 -2.5608588d-03 1.2572668d-03 -6.6008534d-04 3.3618083d-04 -1.5087761d-04 4.2943521d-05 32 1.0509343d-02 -4.4790407d-03 2.1996341d-03 -1.1551252d-03 5.8820327d-04 -2.6388025d-04 7.5126637d-05 33 1.6438011d-02 -7.0255436d-03 3.4520691d-03 -1.8126286d-03 9.2331055d-04 -4.1446744d-04 1.1795313d-04 34 2.5320860d-02 -1.0867145d-02 5.3440425d-03 -2.8076980d-03 1.4296723d-03 -6.4122655d-04 1.8258937d-04 35 3.6596668d-02 -1.5824054d-02 7.7934185d-03 -4.0940674d-03 2.0861339d-03 -9.3682619d-04 2.6655071d-04 36 5.1357077d-02 -2.2480599d-02 1.1099871d-02 -5.8390864d-03 2.9734573d-03 -1.3331040d-03 3.7972321d-04 37 6.7929185d-02 -3.0385351d-02 1.5071575d-02 -7.9302089d-03 4.0441233d-03 -1.8174397d-03 5.1691650d-04 38 8.4523898d-02 -3.9207793d-02 1.9600421d-02 -1.0347828d-02 5.2723485d-03 -2.3625174d-03 6.7330310d-04 39 9.2743684d-02 -4.5654075d-02 2.3126887d-02 -1.2230820d-02 6.2504085d-03 -2.8131862d-03 7.9960423d-04 40 8.1609010d-02 -4.3089817d-02 2.2189146d-02 -1.1817816d-02 6.0277382d-03 -2.6962501d-03 7.6963407d-04 41 4.7546913d-02 -2.1509097d-02 1.0478241d-02 -5.4450814d-03 2.7879429d-03 -1.2680950d-03 3.5773598d-04 42 1.3405720d-02 1.9501629d-02 -1.6025539d-02 9.4897266d-03 -5.0366868d-03 2.3087352d-03 -6.5296781d-04 43 9.1213598d-04 5.1464822d-02 -4.6077273d-02 2.8487284d-02 -1.5121494d-02 6.8169810d-03 -1.9523063d-03 44 9.9499915d-05 3.9091578d-02 -4.3676371d-02 2.8745865d-02 -1.5748313d-02 7.2654734d-03 -2.0610814d-03 45 -5.8227326d-05 9.6642065d-03 3.5123290d-03 -4.7564637d-03 3.1801733d-03 -1.6332378d-03 4.4867228d-04 46 3.5352862d-05 3.2166581d-04 3.6199506d-02 -4.4041024d-02 2.8301105d-02 -1.3305048d-02 3.8532817d-03 47 -2.0801222d-05 8.4440403d-05 1.7936998d-02 -2.3695677d-02 1.6243914d-02 -8.1561864d-03 2.3175378d-03 48 1.1990723d-05 -3.5287302d-05 1.8258376d-03 1.8868362d-02 -1.9560764d-02 1.0843935d-02 -3.1315337d-03 49 -6.9714890d-06 1.3573432d-05 -5.1672199d-05 1.6650698d-02 -2.4747872d-02 1.4677450d-02 -4.4482284d-03 50 3.6818006d-06 -5.7561188d-06 2.1350626d-05 1.8964529d-03 6.3534361d-03 -5.6638980d-03 1.8714341d-03 51 -2.0078489d-06 2.7226876d-06 -9.8246376d-06 -5.6373405d-05 1.1327045d-02 -1.2060048d-02 3.8852510d-03 52 8.9292988d-07 -9.3784526d-07 2.5725082d-06 2.0730205d-05 1.6815191d-03 -7.2005384d-04 3.3803289d-04 53 -3.7165886d-07 3.1067638d-07 -7.5516419d-07 -5.0035065d-06 -7.5052875d-06 5.1344892d-03 -2.4602644d-03 54 1.0715077d-07 -7.2686057d-08 1.7149585d-07 7.3172746d-07 6.5174714d-06 1.8325141d-03 -1.3638565d-03 55 -2.1996982d-08 1.0405505d-08 -1.8703643d-08 -7.1213443d-08 -4.1500395d-07 2.5068757d-05 1.2189960d-03 56 8.9867888d-09 -3.5856712d-09 5.4625191d-09 1.5062997d-08 9.6009781d-08 -3.4326066d-06 6.0285102d-04 2P- 3P- 4P- 5P- 6P- -9.0340151d+02 -2.2882176d+02 -5.9008105d+01 -1.2817603d+01 -1.6124825d+00 ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 2.0075973d-04 -1.0467767d-04 -5.5028182d-05 -2.7334896d-05 1.1448792d-05 2 5.6696547d-04 -2.9567422d-04 -1.5542442d-04 -7.7210417d-05 3.2337158d-05 3 1.2337799d-03 -6.4356010d-04 -3.3836366d-04 -1.6808131d-04 7.0399896d-05 4 2.4842684d-03 -1.2967450d-03 -6.8174313d-04 -3.3870448d-04 1.4185279d-04 5 4.8452697d-03 -2.5315073d-03 -1.3317628d-03 -6.6157634d-04 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-1.7332790d-05 -1.1519953d-03 1.0094880d-02 6.2776235d-01 -3.4993416d-01 20 6.4312494d-06 3.3082540d-04 -2.5682149d-03 5.2707386d-02 7.3052438d-01 21 -2.0089209d-06 -1.0538242d-04 7.8296397d-04 -5.3479588d-03 5.0144061d-01 *** Small Component *** 22 8.0255495d-05 -4.1854488d-05 -2.2018885d-05 -1.0934691d-05 4.5810706d-06 23 2.4049333d-04 -1.2564455d-04 -6.6023925d-05 -3.2813758d-05 1.3739163d-05 24 5.4311596d-04 -2.8379118d-04 -1.4941680d-04 -7.4200729d-05 3.1091057d-05 25 1.1195179d-03 -5.8702427d-04 -3.0861236d-04 -1.5344610d-04 6.4240539d-05 26 2.2327401d-03 -1.1723801d-03 -6.1832191d-04 -3.0709482d-04 1.2871153d-04 27 4.3819824d-03 -2.3161708d-03 -1.2194536d-03 -6.0678196d-04 2.5401139d-04 28 8.5420394d-03 -4.5338203d-03 -2.3987735d-03 -1.1919691d-03 4.9976660d-04 29 1.6373775d-02 -8.7988616d-03 -4.6492855d-03 -2.3164531d-03 9.6977603d-04 30 2.9949108d-02 -1.6300629d-02 -8.6845122d-03 -4.3216653d-03 1.8131251d-03 31 4.9091566d-02 -2.7534810d-02 -1.4693761d-02 -7.3454181d-03 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------------ *** Large Component *** 1 2.3303335d-05 -1.2827577d-05 -6.8431338d-06 3.3781882d-06 -1.3110101d-06 2 1.2988889d-04 -7.1775784d-05 -3.8310930d-05 1.8890967d-05 -7.3366420d-06 3 5.7119746d-04 -3.1679282d-04 -1.6933849d-04 8.3660931d-05 -3.2466680d-05 4 2.1940926d-03 -1.2237379d-03 -6.5467818d-04 3.2294383d-04 -1.2545366d-04 5 7.6025282d-03 -4.2672441d-03 -2.2882117d-03 1.1316559d-03 -4.3920158d-04 6 2.3794414d-02 -1.3518091d-02 -7.2661082d-03 3.5880960d-03 -1.3944068d-03 7 6.6032536d-02 -3.8246077d-02 -2.0680451d-02 1.0252951d-02 -3.9807303d-03 8 1.5494716d-01 -9.2772251d-02 -5.0557960d-02 2.5048864d-02 -9.7446873d-03 9 2.8311454d-01 -1.7693377d-01 -9.7768204d-02 4.8801112d-02 -1.8963400d-02 10 3.4659907d-01 -2.1502279d-01 -1.1770323d-01 5.8180865d-02 -2.2673854d-02 11 2.2841004d-01 -2.1764999d-02 1.4723777d-02 -1.0676973d-02 4.6443373d-03 12 5.6043038d-02 4.0437312d-01 3.5597117d-01 -2.0150552d-01 8.0226793d-02 13 1.5677344d-03 5.0615301d-01 4.4615407d-01 -2.4500642d-01 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3.6510763d-03 40 -1.3516423d-07 -6.4948286d-07 1.2423052d-06 -4.7488860d-04 -3.2913179d-03 41 4.0147970d-08 1.6567973d-07 -2.8683362d-07 1.4429573d-05 -3.2188232d-03 42 -7.3558793d-09 -2.1652899d-08 4.2386689d-08 -2.1555138d-06 -5.7520098d-04 3D- 4D- 5D- 6D- -1.6233391d+02 -3.6396710d+01 -5.5896065d+00 -1.8353228d-01 ------------ ------------ ------------ ------------ *** Large Component *** 1 8.7849033d-05 -5.0190077d-05 2.3159623d-05 5.4045172d-06 2 4.3735284d-04 -2.5046553d-04 1.1584402d-04 2.7115742d-05 3 1.9169079d-03 -1.1002394d-03 5.0786310d-04 1.1838205d-04 4 7.8043077d-03 -4.5101975d-03 2.0916293d-03 4.9016567d-04 5 2.8342097d-02 -1.6500979d-02 7.6409670d-03 1.7813370d-03 6 8.6055864d-02 -5.0940068d-02 2.3768675d-02 5.5775723d-03 7 2.0396577d-01 -1.2213529d-01 5.6898162d-02 1.3266068d-02 8 3.4022430d-01 -1.9949502d-01 9.3076339d-02 2.1901378d-02 9 3.4414747d-01 -1.4730284d-01 5.8912889d-02 1.3100949d-02 10 1.7066223d-01 1.6846806d-01 -1.1828575d-01 -2.8678526d-02 11 3.0213889d-02 4.8471195d-01 -3.0932893d-01 -7.7265573d-02 12 1.0296256d-03 3.8456963d-01 -1.6040757d-01 -3.2108086d-02 13 7.6346977d-05 9.7036914d-02 3.6555344d-01 1.0927268d-01 14 -5.8840562d-05 3.8186577d-03 5.5664614d-01 1.7581057d-01 15 -2.2245644d-06 4.3732840d-04 2.5156215d-01 -2.8154555d-02 16 -3.9389074d-06 -1.3541496d-04 2.4138152d-02 -3.6041077d-01 17 5.8028263d-07 4.8748778d-05 -1.2404289d-03 -5.1574901d-01 18 -1.7619974d-07 -1.4727251d-05 4.2313944d-04 -3.3242346d-01 *** Small Component *** 19 3.4004654d-05 -1.9442919d-05 8.9464543d-06 2.0771756d-06 20 1.8710679d-04 -1.0745277d-04 4.9830024d-05 1.1703833d-05 21 7.8231601d-04 -4.4959181d-04 2.0736550d-04 4.8249579d-05 22 2.6770026d-03 -1.5488035d-03 7.1883189d-04 1.6861187d-04 23 7.5129126d-03 -4.3761733d-03 2.0261616d-03 4.7216662d-04 24 1.6940797d-02 -1.0031949d-02 4.6818937d-03 1.0988985d-03 25 2.9468177d-02 -1.7660962d-02 8.2287283d-03 1.9184089d-03 26 3.6047753d-02 -2.1173399d-02 9.8833011d-03 2.3259303d-03 27 2.6827751d-02 -1.1539364d-02 4.6263065d-03 1.0293065d-03 28 9.7350105d-03 9.6647122d-03 -6.7831949d-03 -1.6443559d-03 29 1.2111681d-03 2.0384620d-02 -1.3007678d-02 -3.2491724d-03 30 1.3858050d-06 1.1846750d-02 -4.9486752d-03 -9.9124585d-04 31 -1.2745539d-05 2.1557428d-03 8.1396834d-03 2.4330254d-03 32 -7.2507316d-06 5.6828114d-05 8.8324792d-03 2.7897679d-03 33 -3.0705022d-06 2.9828324d-06 2.7548044d-03 -3.0834298d-04 34 -1.1771435d-06 -1.6191142d-06 1.6392855d-04 -2.4554790d-03 35 -3.0405465d-07 1.7727173d-08 -5.2382267d-06 -2.1134619d-03 36 -1.0912561d-07 -1.0032313d-07 9.3822946d-07 -7.7782375d-04 3D+ 4D+ 5D+ 6D+ -1.5387909d+02 -3.4266405d+01 -5.1391965d+00 -1.7308562d-01 ------------ ------------ ------------ ------------ *** Large Component *** 1 6.5889854d-05 -3.7902115d-05 1.7402431d-05 -3.8719759d-06 2 5.7436231d-04 -3.3121995d-04 1.5216906d-04 -3.4149686d-05 3 3.3792406d-03 -1.9567672d-03 8.9986330d-04 -2.0053293d-04 4 1.5128572d-02 -8.8233320d-03 4.0645552d-03 -9.1167768d-04 5 5.2750624d-02 -3.1153114d-02 1.4395395d-02 -3.2120105d-03 6 1.4194409d-01 -8.5347340d-02 3.9602822d-02 -8.8939553d-03 7 2.7788674d-01 -1.6701506d-01 7.7527856d-02 -1.7288897d-02 8 3.6139795d-01 -1.9881500d-01 8.9705032d-02 -2.0156440d-02 9 2.5989295d-01 -1.4657657d-02 -1.5233007d-02 4.6008242d-03 10 8.3700285d-02 3.3668744d-01 -2.1412493d-01 4.9465842d-02 11 7.8258925d-03 4.8301124d-01 -2.9812957d-01 7.0890024d-02 12 5.9342676d-04 2.4676790d-01 3.3478865d-02 -2.0326991d-02 13 -1.9711521d-04 3.8976162d-02 4.8033511d-01 -1.3423002d-01 14 4.8165021d-05 1.1838965d-03 4.6850827d-01 -1.3665773d-01 15 -3.5572551d-05 8.5355555d-05 1.6043506d-01 8.9361867d-02 16 8.0714404d-06 -1.2791219d-05 1.1798894d-02 3.8810563d-01 17 -3.5913614d-06 3.2884777d-06 -3.6808805d-04 4.9518679d-01 18 1.1013762d-06 -1.4618819d-06 1.7781040d-04 2.8747939d-01 *** Small Component *** 19 6.3741661d-05 -3.6557574d-05 1.6772883d-05 -3.7237729d-06 20 3.7322135d-04 -2.1449837d-04 9.8466976d-05 -2.2113950d-05 21 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-5.7946962d-01 ------------ ------------ *** Large Component *** 1 2.3593396d-04 -8.4734175d-05 2 2.1241428d-03 -7.5927099d-04 3 1.2477624d-02 -4.4987829d-03 4 4.9928995d-02 -1.7967433d-02 5 1.4175871d-01 -5.1458842d-02 6 2.7934760d-01 -9.8057208d-02 7 3.6722679d-01 -1.1598016d-01 8 2.9408935d-01 -3.1042614d-02 9 1.1545059d-01 1.8932482d-01 10 1.4878635d-02 3.7999934d-01 11 6.0091100d-04 3.8542464d-01 12 1.9170832d-04 2.4341551d-01 13 5.6059025d-05 7.9441861d-02 *** Small Component *** 14 8.4313909d-05 -3.0335616d-05 15 5.5436148d-04 -1.9808147d-04 16 2.2821030d-03 -8.2295947d-04 17 6.4870771d-03 -2.3344591d-03 18 1.3225637d-02 -4.8015626d-03 19 1.8925791d-02 -6.6453279d-03 20 1.8097465d-02 -5.7182848d-03 21 1.0527648d-02 -1.1141544d-03 22 2.9690957d-03 4.8739155d-03 23 2.6726458d-04 6.8784923d-03 24 6.8244158d-06 4.7864715d-03 25 1.4033921d-06 2.0016968d-03 26 2.4544538d-07 4.0614692d-04 4F+ 5F+ -1.9356077d+01 -5.2138318d-01 ------------ ------------ *** Large Component *** 1 2.5516901d-04 -9.0297711d-05 2 2.5147968d-03 -8.8615577d-04 3 1.4667322d-02 -5.2092554d-03 4 5.6888324d-02 -2.0186219d-02 5 1.5572746d-01 -5.5654856d-02 6 2.9197960d-01 -1.0029773d-01 7 3.6757329d-01 -1.1170345d-01 8 2.7592661d-01 -1.2865453d-02 9 9.8759078d-02 2.0845733d-01 10 1.1068677d-02 3.8292443d-01 11 5.9664989d-04 3.7411351d-01 12 1.4486805d-04 2.3462022d-01 13 6.8302928d-05 7.7562548d-02 *** Small Component *** 14 1.0621002d-04 -3.7577794d-05 15 6.5747206d-04 -2.3152598d-04 16 2.5907094d-03 -9.1971485d-04 17 7.0541486d-03 -2.5019991d-03 18 1.3848811d-02 -4.9477432d-03 19 1.8862696d-02 -6.4779173d-03 20 1.7280281d-02 -5.2509409d-03 21 9.4283065d-03 -4.4185462d-04 22 2.4237240d-03 5.1122673d-03 23 1.9099068d-04 6.6007603d-03 24 7.0080879d-06 4.4175536d-03 25 1.1452340d-06 1.8308698d-03 26 3.2627164d-07 3.7544849d-04 * Radial Moments Sym Orb S+ 1 5.20158d+04 1.35013d+02 1.26022d-02 2.24827d-04 5.19307d-06 1.47356d-07 2 8.68374d+03 3.45676d+01 5.20074d-02 3.27966d-03 2.37343d-04 1.94235d-05 3 2.07270d+03 1.25066d+01 1.35648d-01 2.12326d-02 3.66015d-03 6.87815d-04 4 5.72308d+02 5.35370d+00 2.93440d-01 9.73253d-02 3.50259d-02 1.35443d-02 5 1.49292d+02 2.38411d+00 6.05673d-01 4.09881d-01 2.99695d-01 2.34831d-01 6 3.03456d+01 1.00038d+00 1.33929d+00 2.00716d+00 3.28429d+00 5.83860d+00 7 2.51545d+00 3.10696d-01 4.02261d+00 1.84228d+01 9.46384d+01 5.41721d+02 P- 1 2.82595d+03 3.45194d+01 4.18302d-02 2.23579d-03 1.44610d-04 1.09745d-05 2 7.03278d+02 1.24082d+01 1.27130d-01 1.89952d-02 3.16118d-03 5.79405d-04 3 1.92898d+02 5.24361d+00 2.91037d-01 9.65203d-02 3.49057d-02 1.36341d-02 4 4.83053d+01 2.27336d+00 6.26524d-01 4.40628d-01 3.36357d-01 2.76708d-01 5 8.72803d+00 8.97750d-01 1.47807d+00 2.45717d+00 4.48577d+00 8.93419d+00 P+ 1 8.07766d+02 2.42245d+01 5.27284d-02 3.39175d-03 2.57986d-04 2.26857d-05 2 2.04843d+02 9.68805d+00 1.46583d-01 2.50186d-02 4.73616d-03 9.83172d-04 3 5.78126d+01 4.33866d+00 3.27519d-01 1.21895d-01 4.94158d-02 2.16092d-02 4 1.47184d+01 1.93960d+00 7.02874d-01 5.54257d-01 4.74666d-01 4.38362d-01 5 2.43330d+00 7.44612d-01 1.73416d+00 3.39920d+00 7.38916d+00 1.77638d+01 D- 1 1.15758d+02 9.57082d+00 1.26189d-01 1.86973d-02 3.18939d-03 6.17138d-04 2 3.15154d+01 4.15655d+00 3.22431d-01 1.19761d-01 4.91071d-02 2.19976d-02 3 7.13189d+00 1.71839d+00 7.76246d-01 6.84365d-01 6.65007d-01 7.08751d-01 4 5.14635d-01 4.35433d-01 2.99941d+00 1.08248d+01 4.60823d+01 2.26931d+02 D+ 1 1.00892d+02 9.05238d+00 1.31850d-01 2.02855d-02 3.57998d-03 7.15038d-04 2 2.75440d+01 3.97474d+00 3.33240d-01 1.27688d-01 5.39794d-02 2.49165d-02 3 6.20987d+00 1.64723d+00 8.03511d-01 7.33076d-01 7.37492d-01 8.14244d-01 4 4.25954d-01 4.09430d-01 3.17103d+00 1.21011d+01 5.45786d+01 2.85771d+02 F- 1 1.66536d+01 3.71459d+00 3.18379d-01 1.17983d-01 5.02331d-02 2.43102d-02 2 2.31746d+00 1.15657d+00 1.14388d+00 1.58599d+00 2.62978d+00 5.19989d+00 F+ 1 1.59819d+01 3.64653d+00 3.23595d-01 1.21723d-01 5.25655d-02 2.57906d-02 2 2.17928d+00 1.12444d+00 1.17820d+00 1.69090d+00 2.92053d+00 6.05368d+00 -------------------------------------------------------------------------------- Californium [Rn]7s(2)5f(10) Nuclear Charge = 98.0000000000 Atomic Mass = 251.0000000000 Nuclear Radius = 1.425591d-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ F- F+ Number of Closed Shells 7 5 5 3 3 1 1 Open Shells 0 0 0 0 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.06993007 0.0 0.0 0.0 0.0 0.0 6.0 4.0 2 0.33566434 0.0 0.0 0.0 0.0 0.0 5.0 5.0 3 0.41958042 0.0 0.0 0.0 0.0 0.0 4.0 6.0 4 0.15984016 0.0 0.0 0.0 0.0 0.0 3.0 7.0 5 0.01498501 0.0 0.0 0.0 0.0 0.0 2.0 8.0 * Energies Total Energy = -3.305933881280807d+04 Mass Energy = -3.301346746392008d+04 Kinetic Energy = 7.494462247258316d+04 Potential Energy = -7.499049382147114d+04 Correction to Virial = 4.587536128951067d+01 Virials -/ = 1.000612069917422d+00 -(CORR )/ = -6.121234556394379d-04 -[+(CORR )]/ = 9.999999464617823d-01 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 3.7029389844d+07 1.0000000000d+00 1.0000000000d+00 2 8.6039863119d+06 1.0000000000d+00 1.0000000000d+00 3 2.7562869919d+06 1.0000000000d+00 1.0000000000d+00 4 9.9326318040d+05 1.0000000000d+00 1.0000000000d+00 5 3.9868656456d+05 1.0000000000d+00 1.0000000000d+00 6 1.7105222149d+05 1.0000000000d+00 1.0000000000d+00 7 7.8115427609d+04 1.0000000000d+00 1.0000000000d+00 8 3.7377695210d+04 1.0000000000d+00 1.0000000000d+00 9 1.8602533358d+04 1.0000000000d+00 1.0000000000d+00 10 9.4835859286d+03 1.0000000000d+00 1.0000000000d+00 11 4.8982071409d+03 1.0000000000d+00 1.0000000000d+00 12 2.5472063065d+03 1.0000000000d+00 1.0000000000d+00 13 1.3330464783d+03 1.0000000000d+00 1.0000000000d+00 14 7.0120983069d+02 1.0000000000d+00 1.0000000000d+00 15 3.7560416135d+02 1.0000000000d+00 1.0000000000d+00 16 2.0367554456d+02 1.0000000000d+00 1.0000000000d+00 17 1.1061798116d+02 1.0000000000d+00 1.0000000000d+00 18 6.3028130011d+01 1.0000000000d+00 1.0000000000d+00 19 3.5393441935d+01 1.0000000000d+00 1.0000000000d+00 20 1.8704660523d+01 1.0000000000d+00 1.0000000000d+00 21 1.0597728213d+01 1.0000000000d+00 1.0000000000d+00 22 5.4973580675d+00 1.0000000000d+00 1.0000000000d+00 23 3.0031061989d+00 1.0000000000d+00 1.0000000000d+00 24 1.4991719199d+00 1.0000000000d+00 1.0000000000d+00 25 7.3668432714d-01 1.0000000000d+00 1.0000000000d+00 26 3.3551155197d-01 1.0000000000d+00 1.0000000000d+00 27 6.8672087216d-02 1.0000000000d+00 1.0000000000d+00 28 2.7137286133d-02 1.0000000000d+00 1.0000000000d+00 P- 1 3.1441615073d+07 1.0000000000d+00 1.0000000000d+00 2 8.0904013843d+06 1.0000000000d+00 1.0000000000d+00 3 2.3241085618d+06 1.0000000000d+00 1.0000000000d+00 4 7.2558714816d+05 1.0000000000d+00 1.0000000000d+00 5 2.4208738947d+05 1.0000000000d+00 1.0000000000d+00 6 8.5418922563d+04 1.0000000000d+00 1.0000000000d+00 7 3.1669774562d+04 1.0000000000d+00 1.0000000000d+00 8 1.2319506317d+04 1.0000000000d+00 1.0000000000d+00 9 5.0285931100d+03 1.0000000000d+00 1.0000000000d+00 10 2.1529868205d+03 1.0000000000d+00 1.0000000000d+00 11 9.6402859425d+02 1.0000000000d+00 1.0000000000d+00 12 4.4928979913d+02 1.0000000000d+00 1.0000000000d+00 13 2.1683519072d+02 1.0000000000d+00 1.0000000000d+00 14 1.0520920892d+02 1.0000000000d+00 1.0000000000d+00 15 5.3003377801d+01 1.0000000000d+00 1.0000000000d+00 16 2.5169500920d+01 1.0000000000d+00 1.0000000000d+00 17 1.2739360096d+01 1.0000000000d+00 1.0000000000d+00 18 5.4966295184d+00 1.0000000000d+00 1.0000000000d+00 19 2.6588152718d+00 1.0000000000d+00 1.0000000000d+00 20 9.1405503383d-01 1.0000000000d+00 1.0000000000d+00 21 3.4569045834d-01 1.0000000000d+00 1.0000000000d+00 P+ 1 1.5931798090d+06 1.0000000000d+00 1.0000000000d+00 2 3.2321099213d+05 1.0000000000d+00 1.0000000000d+00 3 9.2875220971d+04 1.0000000000d+00 1.0000000000d+00 4 3.2095191805d+04 1.0000000000d+00 1.0000000000d+00 5 1.2518840424d+04 1.0000000000d+00 1.0000000000d+00 6 5.3291384536d+03 1.0000000000d+00 1.0000000000d+00 7 2.4253069842d+03 1.0000000000d+00 1.0000000000d+00 8 1.1632987560d+03 1.0000000000d+00 1.0000000000d+00 9 5.8139630083d+02 1.0000000000d+00 1.0000000000d+00 10 3.0033427102d+02 1.0000000000d+00 1.0000000000d+00 11 1.5878961103d+02 1.0000000000d+00 1.0000000000d+00 12 8.4536157979d+01 1.0000000000d+00 1.0000000000d+00 13 4.5907963000d+01 1.0000000000d+00 1.0000000000d+00 14 2.4669781114d+01 1.0000000000d+00 1.0000000000d+00 15 1.3401780625d+01 1.0000000000d+00 1.0000000000d+00 16 7.2153523016d+00 1.0000000000d+00 1.0000000000d+00 17 3.8088349200d+00 1.0000000000d+00 1.0000000000d+00 18 1.9263197987d+00 1.0000000000d+00 1.0000000000d+00 19 8.3198677260d-01 1.0000000000d+00 1.0000000000d+00 20 3.6785293229d-01 1.0000000000d+00 1.0000000000d+00 21 1.4685841591d-01 1.0000000000d+00 1.0000000000d+00 D- 1 6.9008538743d+04 1.0000000000d+00 1.0000000000d+00 2 1.6153311817d+04 1.0000000000d+00 1.0000000000d+00 3 5.1907981720d+03 1.0000000000d+00 1.0000000000d+00 4 1.9922786914d+03 1.0000000000d+00 1.0000000000d+00 5 8.6058749388d+02 1.0000000000d+00 1.0000000000d+00 6 4.0267347562d+02 1.0000000000d+00 1.0000000000d+00 7 1.9955642171d+02 1.0000000000d+00 1.0000000000d+00 8 1.0255179695d+02 1.0000000000d+00 1.0000000000d+00 9 5.4039090276d+01 1.0000000000d+00 1.0000000000d+00 10 2.8550387159d+01 1.0000000000d+00 1.0000000000d+00 11 1.5056844660d+01 1.0000000000d+00 1.0000000000d+00 12 7.9104855660d+00 1.0000000000d+00 1.0000000000d+00 13 4.0392565594d+00 1.0000000000d+00 1.0000000000d+00 14 1.9558318094d+00 1.0000000000d+00 1.0000000000d+00 15 8.4257940899d-01 1.0000000000d+00 1.0000000000d+00 D+ 1 2.3119838553d+04 1.0000000000d+00 1.0000000000d+00 2 6.6227248201d+03 1.0000000000d+00 1.0000000000d+00 3 2.4913077244d+03 1.0000000000d+00 1.0000000000d+00 4 1.0801667493d+03 1.0000000000d+00 1.0000000000d+00 5 5.1114734443d+02 1.0000000000d+00 1.0000000000d+00 6 2.5677428309d+02 1.0000000000d+00 1.0000000000d+00 7 1.3411144876d+02 1.0000000000d+00 1.0000000000d+00 8 7.2089331198d+01 1.0000000000d+00 1.0000000000d+00 9 3.9146936722d+01 1.0000000000d+00 1.0000000000d+00 10 2.1084271730d+01 1.0000000000d+00 1.0000000000d+00 11 1.1445701629d+01 1.0000000000d+00 1.0000000000d+00 12 6.1141129617d+00 1.0000000000d+00 1.0000000000d+00 13 3.1680532067d+00 1.0000000000d+00 1.0000000000d+00 14 1.5558713890d+00 1.0000000000d+00 1.0000000000d+00 15 6.7381451741d-01 1.0000000000d+00 1.0000000000d+00 F- 1 2.2213796672d+03 1.0000000000d+00 1.0000000000d+00 2 7.2223131759d+02 1.0000000000d+00 1.0000000000d+00 3 2.9916478203d+02 1.0000000000d+00 1.0000000000d+00 4 1.4024023309d+02 1.0000000000d+00 1.0000000000d+00 5 6.9949705024d+01 1.0000000000d+00 1.0000000000d+00 6 3.6266322712d+01 1.0000000000d+00 1.0000000000d+00 7 1.8995120920d+01 1.0000000000d+00 1.0000000000d+00 8 9.9527529218d+00 1.0000000000d+00 1.0000000000d+00 9 5.0990698315d+00 1.0000000000d+00 1.0000000000d+00 10 2.5024936962d+00 1.0000000000d+00 1.0000000000d+00 11 1.1643992722d+00 1.0000000000d+00 1.0000000000d+00 12 5.0085657170d-01 1.0000000000d+00 1.0000000000d+00 13 1.8863316973d-01 1.0000000000d+00 1.0000000000d+00 F+ 1 1.6988037278d+03 1.0000000000d+00 1.0000000000d+00 2 5.9193072039d+02 1.0000000000d+00 1.0000000000d+00 3 2.5465873187d+02 1.0000000000d+00 1.0000000000d+00 4 1.2185284835d+02 1.0000000000d+00 1.0000000000d+00 5 6.1686495459d+01 1.0000000000d+00 1.0000000000d+00 6 3.2194420922d+01 1.0000000000d+00 1.0000000000d+00 7 1.6932475638d+01 1.0000000000d+00 1.0000000000d+00 8 8.8764041849d+00 1.0000000000d+00 1.0000000000d+00 9 4.5245369314d+00 1.0000000000d+00 1.0000000000d+00 10 2.2110638228d+00 1.0000000000d+00 1.0000000000d+00 11 1.0209512080d+00 1.0000000000d+00 1.0000000000d+00 12 4.3535762383d-01 1.0000000000d+00 1.0000000000d+00 13 1.6237711505d-01 1.0000000000d+00 1.0000000000d+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ 7S+ -4.9969878d+03 -9.6378850d+02 -2.5146854d+02 -6.8134100d+01 -1.6106462d+01 -2.4792797d+00 -1.9843136d-01 ------------ ------------ ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 1.1021619d-03 -4.7277942d-04 2.3246238d-04 -1.2231267d-04 6.2548536d-05 -2.7759766d-05 7.1476600d-06 2 2.3459044d-03 -1.0135211d-03 4.9896262d-04 -2.6262334d-04 1.3430972d-04 -5.9606850d-05 1.5348055d-05 3 4.5197037d-03 -1.9674420d-03 9.6984645d-04 -5.1061864d-04 2.6117406d-04 -1.1592192d-04 2.9847656d-05 4 7.9205933d-03 -3.4900968d-03 1.7240280d-03 -9.0823048d-04 4.6457996d-04 -2.0618062d-04 5.3090862d-05 5 1.3684372d-02 -6.1120052d-03 3.0261531d-03 -1.5949557d-03 8.1609787d-04 -3.6229290d-04 9.3280618d-05 6 2.2985692d-02 -1.0454589d-02 5.1921459d-03 -2.7392063d-03 1.4015660d-03 -6.2196197d-04 1.6016679d-04 7 3.8164127d-02 -1.7709024d-02 8.8250545d-03 -4.6583896d-03 2.3850429d-03 -1.0592355d-03 2.7269852d-04 8 6.2105222d-02 -2.9549793d-02 1.4790119d-02 -7.8197637d-03 4.0024121d-03 -1.7755717d-03 4.5733125d-04 9 9.8901379d-02 -4.8512390d-02 2.4416975d-02 -1.2918165d-02 6.6208952d-03 -2.9428528d-03 7.5746919d-04 10 1.5160868d-01 -7.7584571d-02 3.9368827d-02 -2.0896581d-02 1.0701480d-02 -4.7446124d-03 1.2225073d-03 11 2.1221842d-01 -1.1518001d-01 5.9147407d-02 -3.1441148d-02 1.6148728d-02 -7.1893011d-03 1.8497163d-03 12 2.4340788d-01 -1.4030752d-01 7.2896814d-02 -3.8970857d-02 1.9965272d-02 -8.8334247d-03 2.2783592d-03 13 1.8929677d-01 -8.8097670d-02 4.1684422d-02 -2.1453625d-02 1.1011852d-02 -4.9595487d-03 1.2691441d-03 14 7.1943524d-02 1.2899167d-01 -1.0803941d-01 6.4422692d-02 -3.4377253d-02 1.5572008d-02 -3.9984313d-03 15 6.9461052d-03 4.2658382d-01 -3.8998333d-01 2.4268645d-01 -1.2951827d-01 5.7779948d-02 -1.4939910d-02 16 7.3733605d-04 4.3065881d-01 -4.8702233d-01 3.2180698d-01 -1.7729041d-01 8.0922961d-02 -2.0816244d-02 17 -5.0117323d-04 1.4273457d-01 6.4856280d-02 -8.4452719d-02 5.6357094d-02 -2.8321351d-02 7.1918341d-03 18 3.3873542d-04 6.2660422d-03 7.3035629d-01 -8.9699221d-01 5.8020802d-01 -2.7003858d-01 7.0472995d-02 19 -2.4259391d-04 2.1363536d-03 4.7756456d-01 -6.2968134d-01 4.3471863d-01 -2.1619172d-01 5.5895888d-02 20 1.6541483d-04 -1.2020472d-03 6.6101546d-02 7.1200811d-01 -7.5001066d-01 4.1237565d-01 -1.0832526d-01 21 -1.0478119d-04 5.8724652d-04 -2.5186990d-03 8.1318097d-01 -1.2203391d+00 7.1749525d-01 -1.9495840d-01 22 6.0761683d-05 -3.2581910d-04 1.3714920d-03 1.2627400d-01 4.7244013d-01 -4.1882736d-01 1.2195008d-01 23 -3.5116321d-05 1.9453148d-04 -8.2465796d-04 -4.5371400d-03 1.0385160d+00 -1.0903425d+00 3.1769311d-01 24 1.5850653d-05 -8.3901711d-05 2.8218936d-04 2.4049477d-03 2.0885937d-01 -5.2705428d-02 1.9737190d-02 25 -6.4928954d-06 3.3801760d-05 -1.0728704d-04 -7.8677030d-04 -9.5182456d-04 9.3056367d-01 -3.8013214d-01 26 1.8428479d-06 -9.8215018d-06 3.3352581d-05 1.6637534d-04 1.5631456d-03 4.7946932d-01 -3.4043910d-01 27 -3.6279514d-07 1.9007167d-06 -6.0795775d-06 -3.5366335d-05 -1.9839340d-04 1.1615174d-02 6.6921342d-01 28 1.4918233d-07 -7.8213181d-07 2.5048953d-06 1.4381081d-05 7.9352857d-05 -3.0194637d-03 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-6.0169313d-04 3.5128073d-01 15 -1.6179487d-05 4.3154864d-05 6.4822551d-02 *** Small Component *** 16 8.2423580d-05 4.7543309d-05 2.1971795d-05 17 4.8084574d-04 2.7745642d-04 1.2756730d-04 18 1.9264240d-03 1.1182944d-03 5.1691971d-04 19 5.9482773d-03 3.4772451d-03 1.6049331d-03 20 1.4370191d-02 8.5359441d-03 3.9669033d-03 21 2.6613091d-02 1.6060811d-02 7.4686631d-03 22 3.5142712d-02 2.1043021d-02 9.8145824d-03 23 2.9378249d-02 1.4674412d-02 6.3330786d-03 24 1.2717177d-02 -5.1462484d-03 -4.3046994d-03 25 2.1573621d-03 -1.9392394d-02 -1.2382357d-02 26 7.4594714d-05 -1.4390085d-02 -7.8266114d-03 27 8.0208929d-06 -3.5770456d-03 5.5323630d-03 28 -2.9124625d-06 -2.0628374d-04 9.5639246d-03 29 2.8054710d-07 -7.2317469d-06 4.2302167d-03 30 -1.2761594d-07 3.3779341d-07 5.1371697d-04 4F- 5F- -2.0688134d+01 -4.3999564d-01 ------------ ------------ *** Large Component *** 1 2.9505803d-04 -1.0526958d-04 2 2.6475641d-03 -9.4119866d-04 3 1.5288511d-02 -5.4789400d-03 4 5.9293139d-02 -2.1225068d-02 5 1.6237997d-01 -5.8544342d-02 6 3.0238586d-01 -1.0435011d-01 7 3.7142409d-01 -1.1195176d-01 8 2.6621128d-01 1.4018909d-03 9 8.7587367d-02 2.3136224d-01 10 8.4512248d-03 3.8787564d-01 11 6.2718966d-04 3.6114192d-01 12 1.4121362d-04 2.2358432d-01 13 8.3922805d-05 7.7476676d-02 *** Small Component *** 14 1.0404077d-04 -3.7176606d-05 15 6.7416506d-04 -2.3958604d-04 16 2.7171547d-03 -9.7392417d-04 17 7.4700799d-03 -2.6740722d-03 18 1.4667977d-02 -5.2892490d-03 19 1.9805689d-02 -6.8369542d-03 20 1.7664636d-02 -5.3272842d-03 21 9.1757245d-03 4.5661593d-05 22 2.1595165d-03 5.7135089d-03 23 1.4445522d-04 6.7138102d-03 24 6.8607266d-06 4.2647942d-03 25 9.5209293d-07 1.7318192d-03 26 3.6625625d-07 3.6827975d-04 4F+ 5F+ -2.0078652d+01 -3.7605906d-01 ------------ ------------ *** Large Component *** 1 3.2733791d-04 -1.1431942d-04 2 3.2024380d-03 -1.1169961d-03 3 1.8394256d-02 -6.4545280d-03 4 6.8936635d-02 -2.4216943d-02 5 1.8039455d-01 -6.3586923d-02 6 3.1739672d-01 -1.0634502d-01 7 3.6801544d-01 -1.0390661d-01 8 2.4165215d-01 2.6839600d-02 9 6.9950964d-02 2.5379143d-01 10 5.4448673d-03 3.8735222d-01 11 6.2395471d-04 3.4656181d-01 12 1.1040478d-04 2.1465520d-01 13 9.1367453d-05 7.6462455d-02 *** Small Component *** 14 1.3199698d-04 -4.6081627d-05 15 8.1010310d-04 -2.8238309d-04 16 3.1350151d-03 -1.0995614d-03 17 8.2308287d-03 -2.8901661d-03 18 1.5427938d-02 -5.4363613d-03 19 1.9672132d-02 -6.5896620d-03 20 1.6565719d-02 -4.6771810d-03 21 7.8821149d-03 8.7238757d-04 22 1.6291592d-03 5.9070672d-03 23 8.8737891d-05 6.3040733d-03 24 6.8684801d-06 3.8329225d-03 25 8.0991203d-07 1.5503092d-03 26 3.9931575d-07 3.3726481d-04 * Radial Moments Sym Orb S+ 1 5.46242d+04 1.37729d+02 1.24005d-02 2.18054d-04 4.96900d-06 1.39187d-07 2 9.21482d+03 3.53549d+01 5.11463d-02 3.17496d-03 2.26261d-04 1.82387d-05 3 2.20368d+03 1.27710d+01 1.33494d-01 2.05707d-02 3.49126d-03 6.45970d-04 4 6.10775d+02 5.46674d+00 2.88532d-01 9.41090d-02 3.33033d-02 1.26615d-02 5 1.60593d+02 2.43911d+00 5.94167d-01 3.94557d-01 2.83102d-01 2.17703d-01 6 3.19269d+01 1.01147d+00 1.32630d+00 1.97139d+00 3.20587d+00 5.67752d+00 7 2.17180d+00 2.93278d-01 4.23855d+00 2.05157d+01 1.11797d+02 6.80849d+02 P- 1 3.01356d+03 3.53191d+01 4.10647d-02 2.15823d-03 1.37373d-04 1.02654d-05 2 7.52391d+02 1.26750d+01 1.25020d-01 1.83789d-02 3.00972d-03 5.42879d-04 3 2.07233d+02 5.35720d+00 2.85959d-01 9.31974d-02 3.31180d-02 1.27088d-02 4 5.23184d+01 2.32767d+00 6.14059d-01 4.23406d-01 3.16924d-01 2.55693d-01 5 9.15935d+00 9.04839d-01 1.46790d+00 2.42776d+00 4.41886d+00 8.79235d+00 P+ 1 8.27804d+02 2.45175d+01 5.21102d-02 3.31311d-03 2.49100d-04 2.16527d-05 2 2.10626d+02 9.81922d+00 1.44723d-01 2.43916d-02 4.55951d-03 9.34557d-04 3 5.97361d+01 4.40699d+00 3.22762d-01 1.18387d-01 4.72912d-02 2.03732d-02 4 1.53056d+01 1.97510d+00 6.91268d-01 5.36312d-01 4.52028d-01 4.11015d-01 5 2.39188d+00 7.39106d-01 1.74642d+00 3.45803d+00 7.62403d+00 1.86656d+01 D- 1 1.19018d+02 9.70193d+00 1.24509d-01 1.82039d-02 3.06400d-03 5.84968d-04 2 3.25952d+01 4.22560d+00 3.17328d-01 1.16000d-01 4.68004d-02 2.06211d-02 3 7.42571d+00 1.75179d+00 7.62551d-01 6.60931d-01 6.31831d-01 6.62871d-01 D+ 1 1.03405d+02 9.16472d+00 1.30222d-01 1.97859d-02 3.44795d-03 6.79931d-04 2 2.84021d+01 4.03700d+00 3.28168d-01 1.23823d-01 5.15325d-02 2.34104d-02 3 6.43967d+00 1.67699d+00 7.90237d-01 7.09696d-01 7.03531d-01 7.66322d-01 F- 1 1.72353d+01 3.78036d+00 3.12577d-01 1.13628d-01 4.74219d-02 2.24825d-02 2 2.36447d+00 1.16488d+00 1.14723d+00 1.61970d+00 2.78808d+00 5.84029d+00 F+ 1 1.65259d+01 3.70974d+00 3.17792d-01 1.17293d-01 4.96609d-02 2.38746d-02 2 2.20167d+00 1.12602d+00 1.19181d+00 1.76452d+00 3.22286d+00 7.24429d+00 -------------------------------------------------------------------------------- Einsteinium [Rn]7s(2)5f(11) Nuclear Charge = 99.0000000000 Atomic Mass = 252.0000000000 Nuclear Radius = 1.427297d-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ F- F+ Number of Closed Shells 7 5 5 3 3 1 1 Open Shells 0 0 0 0 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.15384615 0.0 0.0 0.0 0.0 0.0 6.0 5.0 2 0.46153846 0.0 0.0 0.0 0.0 0.0 5.0 6.0 3 0.32967033 0.0 0.0 0.0 0.0 0.0 4.0 7.0 4 0.05494505 0.0 0.0 0.0 0.0 0.0 3.0 8.0 * Energies Total Energy = -3.395272523551944d+04 Mass Energy = -3.390220405667512d+04 Kinetic Energy = 7.726126754579807d+04 Potential Energy = -7.731178872464239d+04 Correction to Virial = 5.052517409027674d+01 Virials -/ = 1.000653900465901d+00 -(CORR )/ = -6.539521767530799d-04 -[+(CORR )]/ = 9.999999482891483d-01 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 3.6989913588d+07 1.0000000000d+00 1.0000000000d+00 2 8.5903546306d+06 1.0000000000d+00 1.0000000000d+00 3 2.7503614725d+06 1.0000000000d+00 1.0000000000d+00 4 9.9037803014d+05 1.0000000000d+00 1.0000000000d+00 5 3.9730613739d+05 1.0000000000d+00 1.0000000000d+00 6 1.7037423260d+05 1.0000000000d+00 1.0000000000d+00 7 7.7786722257d+04 1.0000000000d+00 1.0000000000d+00 8 3.7226655878d+04 1.0000000000d+00 1.0000000000d+00 9 1.8551039712d+04 1.0000000000d+00 1.0000000000d+00 10 9.4806033664d+03 1.0000000000d+00 1.0000000000d+00 11 4.9105190314d+03 1.0000000000d+00 1.0000000000d+00 12 2.5596410058d+03 1.0000000000d+00 1.0000000000d+00 13 1.3423293647d+03 1.0000000000d+00 1.0000000000d+00 14 7.0722380940d+02 1.0000000000d+00 1.0000000000d+00 15 3.7970139770d+02 1.0000000000d+00 1.0000000000d+00 16 2.0631654003d+02 1.0000000000d+00 1.0000000000d+00 17 1.1213456623d+02 1.0000000000d+00 1.0000000000d+00 18 6.4090973296d+01 1.0000000000d+00 1.0000000000d+00 19 3.6086564306d+01 1.0000000000d+00 1.0000000000d+00 20 1.9123532736d+01 1.0000000000d+00 1.0000000000d+00 21 1.0863497828d+01 1.0000000000d+00 1.0000000000d+00 22 5.6705468986d+00 1.0000000000d+00 1.0000000000d+00 23 3.0853012910d+00 1.0000000000d+00 1.0000000000d+00 24 1.5275480529d+00 1.0000000000d+00 1.0000000000d+00 25 7.5684322555d-01 1.0000000000d+00 1.0000000000d+00 26 3.4515489868d-01 1.0000000000d+00 1.0000000000d+00 27 7.0447947532d-02 1.0000000000d+00 1.0000000000d+00 28 2.7707701125d-02 1.0000000000d+00 1.0000000000d+00 P- 1 3.1974606498d+07 1.0000000000d+00 1.0000000000d+00 2 8.3181952322d+06 1.0000000000d+00 1.0000000000d+00 3 2.4086692902d+06 1.0000000000d+00 1.0000000000d+00 4 7.5729352635d+05 1.0000000000d+00 1.0000000000d+00 5 2.5392404281d+05 1.0000000000d+00 1.0000000000d+00 6 8.9852849205d+04 1.0000000000d+00 1.0000000000d+00 7 3.3384900507d+04 1.0000000000d+00 1.0000000000d+00 8 1.2999065454d+04 1.0000000000d+00 1.0000000000d+00 9 5.3028140288d+03 1.0000000000d+00 1.0000000000d+00 10 2.2668381327d+03 1.0000000000d+00 1.0000000000d+00 11 1.0129889677d+03 1.0000000000d+00 1.0000000000d+00 12 4.7111316237d+02 1.0000000000d+00 1.0000000000d+00 13 2.2695906793d+02 1.0000000000d+00 1.0000000000d+00 14 1.0983538758d+02 1.0000000000d+00 1.0000000000d+00 15 5.5235406487d+01 1.0000000000d+00 1.0000000000d+00 16 2.6191257267d+01 1.0000000000d+00 1.0000000000d+00 17 1.3267767532d+01 1.0000000000d+00 1.0000000000d+00 18 5.7322531219d+00 1.0000000000d+00 1.0000000000d+00 19 2.7745637502d+00 1.0000000000d+00 1.0000000000d+00 20 9.5381918927d-01 1.0000000000d+00 1.0000000000d+00 21 3.5971781434d-01 1.0000000000d+00 1.0000000000d+00 P+ 1 1.6170613940d+06 1.0000000000d+00 1.0000000000d+00 2 3.2782946996d+05 1.0000000000d+00 1.0000000000d+00 3 9.4094708842d+04 1.0000000000d+00 1.0000000000d+00 4 3.2492021056d+04 1.0000000000d+00 1.0000000000d+00 5 1.2664593834d+04 1.0000000000d+00 1.0000000000d+00 6 5.3858941281d+03 1.0000000000d+00 1.0000000000d+00 7 2.4479409704d+03 1.0000000000d+00 1.0000000000d+00 8 1.1724721125d+03 1.0000000000d+00 1.0000000000d+00 9 5.8526821594d+02 1.0000000000d+00 1.0000000000d+00 10 3.0206824818d+02 1.0000000000d+00 1.0000000000d+00 11 1.5965921190d+02 1.0000000000d+00 1.0000000000d+00 12 8.5128565145d+01 1.0000000000d+00 1.0000000000d+00 13 4.6228399967d+01 1.0000000000d+00 1.0000000000d+00 14 2.4815524441d+01 1.0000000000d+00 1.0000000000d+00 15 1.3521846502d+01 1.0000000000d+00 1.0000000000d+00 16 7.2768762943d+00 1.0000000000d+00 1.0000000000d+00 17 3.8575092840d+00 1.0000000000d+00 1.0000000000d+00 18 1.9539279316d+00 1.0000000000d+00 1.0000000000d+00 19 8.4526473831d-01 1.0000000000d+00 1.0000000000d+00 20 3.7273236052d-01 1.0000000000d+00 1.0000000000d+00 21 1.4858716250d-01 1.0000000000d+00 1.0000000000d+00 D- 1 6.9781373950d+04 1.0000000000d+00 1.0000000000d+00 2 1.6346961610d+04 1.0000000000d+00 1.0000000000d+00 3 5.2532695925d+03 1.0000000000d+00 1.0000000000d+00 4 2.0174259290d+03 1.0000000000d+00 1.0000000000d+00 5 8.7240589249d+02 1.0000000000d+00 1.0000000000d+00 6 4.0879022915d+02 1.0000000000d+00 1.0000000000d+00 7 2.0291556465d+02 1.0000000000d+00 1.0000000000d+00 8 1.0446317881d+02 1.0000000000d+00 1.0000000000d+00 9 5.5132908144d+01 1.0000000000d+00 1.0000000000d+00 10 2.9183691703d+01 1.0000000000d+00 1.0000000000d+00 11 1.5430515456d+01 1.0000000000d+00 1.0000000000d+00 12 8.1258348630d+00 1.0000000000d+00 1.0000000000d+00 13 4.1616234308d+00 1.0000000000d+00 1.0000000000d+00 14 2.0186152339d+00 1.0000000000d+00 1.0000000000d+00 15 8.7036593603d-01 1.0000000000d+00 1.0000000000d+00 D+ 1 2.3113438975d+04 1.0000000000d+00 1.0000000000d+00 2 6.6237397801d+03 1.0000000000d+00 1.0000000000d+00 3 2.4947346075d+03 1.0000000000d+00 1.0000000000d+00 4 1.0838574437d+03 1.0000000000d+00 1.0000000000d+00 5 5.1418389773d+02 1.0000000000d+00 1.0000000000d+00 6 2.5899000533d+02 1.0000000000d+00 1.0000000000d+00 7 1.3560304141d+02 1.0000000000d+00 1.0000000000d+00 8 7.3066992864d+01 1.0000000000d+00 1.0000000000d+00 9 3.9765018965d+01 1.0000000000d+00 1.0000000000d+00 10 2.1465399442d+01 1.0000000000d+00 1.0000000000d+00 11 1.1686384938d+01 1.0000000000d+00 1.0000000000d+00 12 6.2587311599d+00 1.0000000000d+00 1.0000000000d+00 13 3.2484091915d+00 1.0000000000d+00 1.0000000000d+00 14 1.5966078777d+00 1.0000000000d+00 1.0000000000d+00 15 6.9080890221d-01 1.0000000000d+00 1.0000000000d+00 F- 1 2.2424747426d+03 1.0000000000d+00 1.0000000000d+00 2 7.2701229327d+02 1.0000000000d+00 1.0000000000d+00 3 3.0155047816d+02 1.0000000000d+00 1.0000000000d+00 4 1.4148929630d+02 1.0000000000d+00 1.0000000000d+00 5 7.0630624918d+01 1.0000000000d+00 1.0000000000d+00 6 3.6672912454d+01 1.0000000000d+00 1.0000000000d+00 7 1.9257840161d+01 1.0000000000d+00 1.0000000000d+00 8 1.0122580804d+01 1.0000000000d+00 1.0000000000d+00 9 5.2055729707d+00 1.0000000000d+00 1.0000000000d+00 10 2.5679639310d+00 1.0000000000d+00 1.0000000000d+00 11 1.2019804662d+00 1.0000000000d+00 1.0000000000d+00 12 5.2065890693d-01 1.0000000000d+00 1.0000000000d+00 13 1.9766252137d-01 1.0000000000d+00 1.0000000000d+00 F+ 1 1.7564625611d+03 1.0000000000d+00 1.0000000000d+00 2 6.0689781413d+02 1.0000000000d+00 1.0000000000d+00 3 2.6088870457d+02 1.0000000000d+00 1.0000000000d+00 4 1.2492180781d+02 1.0000000000d+00 1.0000000000d+00 5 6.3285753333d+01 1.0000000000d+00 1.0000000000d+00 6 3.3061770253d+01 1.0000000000d+00 1.0000000000d+00 7 1.7420275064d+01 1.0000000000d+00 1.0000000000d+00 8 9.1545785564d+00 1.0000000000d+00 1.0000000000d+00 9 4.6815632035d+00 1.0000000000d+00 1.0000000000d+00 10 2.2978408644d+00 1.0000000000d+00 1.0000000000d+00 11 1.0657364634d+00 1.0000000000d+00 1.0000000000d+00 12 4.5648545923d-01 1.0000000000d+00 1.0000000000d+00 13 1.7115504272d-01 1.0000000000d+00 1.0000000000d+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ 7S+ -5.1253543d+03 -9.9243068d+02 -2.5963610d+02 -7.0659405d+01 -1.6758437d+01 -2.5561003d+00 -2.0100444d-01 ------------ ------------ ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 1.1715876d-03 -5.0543354d-04 2.4878603d-04 -1.3116372d-04 6.7374359d-05 -2.9937742d-05 7.6236249d-06 2 2.4867684d-03 -1.0806447d-03 5.3259492d-04 -2.8088814d-04 1.4429228d-04 -6.4114940d-05 1.6327189d-05 3 4.7758282d-03 -2.0912978d-03 1.0320623d-03 -5.4447170d-04 2.7973493d-04 -1.2431042d-04 3.1655280d-05 4 8.3383768d-03 -3.6967880d-03 1.8282682d-03 -9.6509433d-04 4.9587414d-04 -2.2033776d-04 5.6112144d-05 5 1.4348241d-02 -6.4493029d-03 3.1970200d-03 -1.6884614d-03 8.6781758d-04 -3.8571786d-04 9.8218615d-05 6 2.3992773d-02 -1.0985559d-02 5.4628378d-03 -2.8879138d-03 1.4842641d-03 -6.5947311d-04 1.6795960d-04 7 3.9636091d-02 -1.8520111d-02 9.2414777d-03 -4.8884005d-03 2.5141003d-03 -1.1178892d-03 2.8462726d-04 8 6.4078603d-02 -3.0711299d-02 1.5393289d-02 -8.1555272d-03 4.1928807d-03 -1.8623969d-03 4.7443126d-04 9 1.0113481d-01 -4.9974331d-02 2.5188566d-02 -1.3354868d-02 6.8760063d-03 -3.0598970d-03 7.7888941d-04 10 1.5343572d-01 -7.9082624d-02 4.0187977d-02 -2.1375666d-02 1.0994994d-02 -4.8808435d-03 1.2438761d-03 11 2.1257547d-01 -1.1600011d-01 5.9633228d-02 -3.1765322d-02 1.6391374d-02 -7.3061824d-03 1.8588573d-03 12 2.4096522d-01 -1.3872459d-01 7.2037290d-02 -3.8569349d-02 1.9838662d-02 -8.7873531d-03 2.2421254d-03 13 1.8456066d-01 -8.1426246d-02 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1.3145501d-01 23 -3.3857688d-05 1.8596839d-04 -7.6653253d-04 -3.7562060d-03 1.0299741d+00 -1.0852565d+00 3.1213929d-01 24 1.5313270d-05 -8.0328089d-05 2.6148683d-04 2.1271177d-03 1.9688758d-01 -1.9090822d-02 9.6890995d-03 25 -6.3993341d-06 3.2997926d-05 -1.0136078d-04 -7.1179836d-04 -2.0825772d-03 9.2637226d-01 -3.7577382d-01 26 1.8039083d-06 -9.5214368d-06 3.1390049d-05 1.4807007d-04 1.6658590d-03 4.6782831d-01 -3.3185448d-01 27 -3.5114114d-07 1.8215177d-06 -5.6499414d-06 -3.1336059d-05 -2.1504494d-04 1.1237180d-02 6.6635824d-01 28 1.4394962d-07 -7.4721433d-07 2.3211329d-06 1.2703292d-05 8.5654076d-05 -2.9146745d-03 5.2894667d-01 *** Small Component *** 29 1.2851810d-03 -5.5206682d-04 2.7153545d-04 -1.4312703d-04 7.3517702d-05 -3.2668713d-05 8.3188623d-06 30 3.7774315d-03 -1.6234258d-03 7.9855746d-04 -4.2095770d-04 2.1620833d-04 -9.6061051d-05 2.4462941d-05 31 6.6682391d-03 -2.8700095d-03 1.4121200d-03 -7.4437442d-04 3.8237908d-04 -1.6993111d-04 4.3270240d-05 32 1.1575858d-02 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-2.4226320d-01 7.6723156d-02 13 -2.3454137d-04 -2.9389450d-02 5.5299866d-01 14 4.3662603d-05 -7.4268142d-04 4.3878528d-01 15 -2.6254093d-05 1.9233771d-06 9.7154781d-02 *** Small Component *** 16 4.9329097d-05 2.8432064d-05 1.3264009d-05 17 2.7131904d-04 1.5727377d-04 7.3638076d-05 18 1.1245276d-03 6.5204619d-04 3.0474976d-04 19 3.7737064d-03 2.2064920d-03 1.0349850d-03 20 1.0223752d-02 6.0241986d-03 2.8272379d-03 21 2.1856850d-02 1.3130013d-02 6.1999112d-03 22 3.4611824d-02 2.0876765d-02 9.8517719d-03 23 3.6447777d-02 2.0773572d-02 9.6665435d-03 24 2.0975836d-02 3.8130660d-03 3.4479098d-04 25 5.1020602d-03 -1.7403549d-02 -1.1400776d-02 26 2.8177953d-04 -1.9396680d-02 -1.2183351d-02 27 -8.6956638d-06 -6.6573190d-03 2.1027871d-03 28 -1.6253655d-05 -5.7216853d-04 1.0884581d-02 29 -3.6428787d-06 -7.6402349d-06 6.0166223d-03 30 -3.0968841d-06 1.7613011d-06 8.7365299d-04 3D+ 4D+ 5D+ -1.6261342d+02 -3.6575460d+01 -5.3654272d+00 ------------ ------------ ------------ *** Large Component *** 1 9.3594189d-05 5.4378123d-05 2.5295079d-05 2 8.1540059d-04 4.7433817d-04 2.1983676d-04 3 4.7525582d-03 2.7816160d-03 1.2954867d-03 4 2.0818396d-02 1.2269411d-02 5.7067505d-03 5 7.0007512d-02 4.1922718d-02 1.9633124d-02 6 1.7759875d-01 1.0795419d-01 5.0575205d-02 7 3.1803157d-01 1.9148988d-01 8.9952626d-02 8 3.5631813d-01 1.7680547d-01 7.6295203d-02 9 2.0649261d-01 -9.2338284d-02 -7.6201956d-02 10 4.7091026d-02 -4.4192310d-01 -2.8533318d-01 11 2.1475268d-03 -4.3608506d-01 -2.3567490d-01 12 3.1415726d-04 -1.4547217d-01 2.4383770d-01 13 -1.7084365d-04 -1.1442924d-02 5.5695658d-01 14 1.9933991d-05 -6.1441963d-04 3.4381599d-01 15 -1.6232683d-05 3.2068029d-05 6.2203219d-02 *** Small Component *** 16 8.6950326d-05 5.0377994d-05 2.3439667d-05 17 5.0558987d-04 2.9301550d-04 1.3562807d-04 18 2.0144534d-03 1.1747467d-03 5.4672768d-04 19 6.1716719d-03 3.6244638d-03 1.6842531d-03 20 1.4784440d-02 8.8251149d-03 4.1299826d-03 21 2.7139021d-02 1.6450849d-02 7.7019870d-03 22 3.5525790d-02 2.1347054d-02 1.0023679d-02 23 2.9389887d-02 1.4579333d-02 6.2947596d-03 24 1.2598597d-02 -5.5723013d-03 -4.6047180d-03 25 2.1132332d-03 -1.9743322d-02 -1.2741134d-02 26 7.1068571d-05 -1.4396028d-02 -7.7793024d-03 27 7.6285309d-06 -3.5157562d-03 5.8843472d-03 28 -2.9896858d-06 -1.9931911d-04 9.6900461d-03 29 2.4833507d-07 -7.4732322d-06 4.1941981d-03 30 -1.3151705d-07 2.5096355d-07 4.9913745d-04 4F- 5F- -2.1668808d+01 -4.7282202d-01 ------------ ------------ *** Large Component *** 1 3.1195690d-04 -1.1357466d-04 2 2.7916458d-03 -1.0135296d-03 3 1.5975114d-02 -5.8440107d-03 4 6.1498133d-02 -2.2484858d-02 5 1.6690899d-01 -6.1415782d-02 6 3.0643370d-01 -1.0769153d-01 7 3.7062922d-01 -1.1269012d-01 8 2.5942632d-01 9.0127962d-03 9 8.2639013d-02 2.4218965d-01 10 7.7622434d-03 3.8961862d-01 11 6.4636271d-04 3.5381611d-01 12 1.5623286d-04 2.1490644d-01 13 8.6520233d-05 7.2636423d-02 *** Small Component *** 14 1.1035247d-04 -4.0232477d-05 15 7.1261706d-04 -2.5864803d-04 16 2.8494256d-03 -1.0425616d-03 17 7.7807908d-03 -2.8448363d-03 18 1.5148771d-02 -5.5751227d-03 19 2.0182001d-02 -7.0951065d-03 20 1.7747696d-02 -5.3994486d-03 21 9.0173442d-03 3.1050387d-04 22 2.0582939d-03 6.0429815d-03 23 1.3421037d-04 6.8315585d-03 24 7.1862596d-06 4.2451403d-03 25 1.0848384d-06 1.6971766d-03 26 3.8589919d-07 3.5343396d-04 4F+ 5F+ -2.1020950d+01 -4.0115661d-01 ------------ ------------ *** Large Component *** 1 3.2646028d-04 -1.1632776d-04 2 3.2370962d-03 -1.1522724d-03 3 1.8545735d-02 -6.6410352d-03 4 6.9437498d-02 -2.4897184d-02 5 1.8153329d-01 -6.5297510d-02 6 3.1862519d-01 -1.0885259d-01 7 3.6782647d-01 -1.0529931d-01 8 2.3902659d-01 3.0862325d-02 9 6.8154273d-02 2.6021813d-01 10 5.3229348d-03 3.8812721d-01 11 6.4455694d-04 3.4201204d-01 12 1.3238690d-04 2.0900447d-01 13 9.4277319d-05 7.3158259d-02 *** Small Component *** 14 1.3347475d-04 -4.7542185d-05 15 8.2808682d-04 -2.9457253d-04 16 3.1973468d-03 -1.1443770d-03 17 8.3917565d-03 -3.0075335d-03 18 1.5723154d-02 -5.6536558d-03 19 2.0011356d-02 -6.8348294d-03 20 1.6793867d-02 -4.8076707d-03 21 7.9178304d-03 1.0189322d-03 22 1.6146523d-03 6.1608143d-03 23 8.8440815d-05 6.4394365d-03 24 7.2498651d-06 3.8646760d-03 25 9.9205954d-07 1.5456918d-03 26 4.2310762d-07 3.3129810d-04 * Radial Moments Sym Orb S+ 1 5.74086d+04 1.40526d+02 1.22013d-02 2.11476d-04 4.75452d-06 1.31472d-07 2 9.78771d+03 3.61680d+01 5.02981d-02 3.07351d-03 2.15693d-04 1.71261d-05 3 2.34506d+03 1.30427d+01 1.31377d-01 1.99306d-02 3.33048d-03 6.06756d-04 4 6.52403d+02 5.58257d+00 2.83724d-01 9.10112d-02 3.16723d-02 1.18399d-02 5 1.73017d+02 2.49640d+00 5.82698d-01 3.79528d-01 2.67075d-01 2.01394d-01 6 3.44676d+01 1.03421d+00 1.30005d+00 1.89470d+00 3.02187d+00 5.25026d+00 7 2.29214d+00 2.97084d-01 4.18548d+00 2.00191d+01 1.07881d+02 6.50124d+02 P- 1 3.21731d+03 3.61461d+01 4.03101d-02 2.08314d-03 1.30484d-04 9.60125d-06 2 8.05831d+02 1.29494d+01 1.22948d-01 1.77834d-02 2.86578d-03 5.08730d-04 3 2.22872d+02 5.47357d+00 2.80992d-01 9.00036d-02 3.14302d-02 1.18509d-02 4 5.67840d+01 2.38464d+00 6.01551d-01 4.06395d-01 2.98001d-01 2.35488d-01 5 9.94956d+00 9.25796d-01 1.43763d+00 2.32939d+00 4.15480d+00 8.10318d+00 P+ 1 8.48170d+02 2.48116d+01 5.15050d-02 3.23704d-03 2.40605d-04 2.06765d-05 2 2.16526d+02 9.95099d+00 1.42905d-01 2.37863d-02 4.39113d-03 8.88800d-04 3 6.17072d+01 4.47572d+00 3.18126d-01 1.15018d-01 4.52815d-02 1.92214d-02 4 1.59435d+01 2.01300d+00 6.79263d-01 5.17920d-01 4.28971d-01 3.83250d-01 5 2.46973d+00 7.49985d-01 1.72200d+00 3.36419d+00 7.32447d+00 1.77249d+01 D- 1 1.22340d+02 9.83354d+00 1.22869d-01 1.77284d-02 2.94479d-03 5.54788d-04 2 3.37002d+01 4.29498d+00 3.12370d-01 1.12403d-01 4.46302d-02 1.93472d-02 3 7.76176d+00 1.78959d+00 7.47372d-01 6.34947d-01 5.94871d-01 6.11515d-01 D+ 1 1.05950d+02 9.27709d+00 1.28634d-01 1.93043d-02 3.32230d-03 6.46941d-04 2 2.92754d+01 4.09938d+00 3.23241d-01 1.20127d-01 4.92286d-02 2.20143d-02 3 6.70827d+00 1.71147d+00 7.75076d-01 6.82805d-01 6.63883d-01 7.09166d-01 F- 1 1.78251d+01 3.84589d+00 3.07011d-01 1.09531d-01 4.48288d-02 2.08289d-02 2 2.51892d+00 1.20364d+00 1.10944d+00 1.51183d+00 2.50660d+00 5.05129d+00 F+ 1 1.70767d+01 3.77266d+00 3.12223d-01 1.13124d-01 4.69803d-02 2.21394d-02 2 2.34185d+00 1.16269d+00 1.15329d+00 1.64929d+00 2.90431d+00 6.28804d+00 ------------------------------------------------------------------------------ Fermium [Rn]7s(2)5f(12) Nuclear Charge = 100.0000000000 Atomic Mass = 257.0000000000 Nuclear Radius = 1.435762d-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ F- F+ Number of Closed Shells 7 5 5 3 3 1 1 Open Shells 0 0 0 0 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.30769231 0.0 0.0 0.0 0.0 0.0 6.0 6.0 2 0.52747253 0.0 0.0 0.0 0.0 0.0 5.0 7.0 3 0.16483516 0.0 0.0 0.0 0.0 0.0 4.0 8.0 * Energies Total Energy = -3.486361556768456d+04 Mass Energy = -3.480761226847791d+04 Kinetic Energy = 7.964168122615012d+04 Potential Energy = -7.969768452535677d+04 Correction to Virial = 5.600641936331890d+01 Virials -/ = 1.000703190820993d+00 -(CORR )/ = -7.032299984261176d-04 -[+(CORR )]/ = 9.999999608225666d-01 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 3.6605510035d+07 1.0000000000d+00 1.0000000000d+00 2 8.4979853352d+06 1.0000000000d+00 1.0000000000d+00 3 2.7203853528d+06 1.0000000000d+00 1.0000000000d+00 4 9.7926204179d+05 1.0000000000d+00 1.0000000000d+00 5 3.9275550882d+05 1.0000000000d+00 1.0000000000d+00 6 1.6843568702d+05 1.0000000000d+00 1.0000000000d+00 7 7.7065804220d+04 1.0000000000d+00 1.0000000000d+00 8 3.7047899836d+04 1.0000000000d+00 1.0000000000d+00 9 1.8566181164d+04 1.0000000000d+00 1.0000000000d+00 10 9.5421806400d+03 1.0000000000d+00 1.0000000000d+00 11 4.9690915095d+03 1.0000000000d+00 1.0000000000d+00 12 2.5997599466d+03 1.0000000000d+00 1.0000000000d+00 13 1.3654959249d+03 1.0000000000d+00 1.0000000000d+00 14 7.1930370246d+02 1.0000000000d+00 1.0000000000d+00 15 3.8667984528d+02 1.0000000000d+00 1.0000000000d+00 16 2.1033533641d+02 1.0000000000d+00 1.0000000000d+00 17 1.1427156239d+02 1.0000000000d+00 1.0000000000d+00 18 6.5389527085d+01 1.0000000000d+00 1.0000000000d+00 19 3.6849384880d+01 1.0000000000d+00 1.0000000000d+00 20 1.9601762394d+01 1.0000000000d+00 1.0000000000d+00 21 1.1154637567d+01 1.0000000000d+00 1.0000000000d+00 22 5.8655915469d+00 1.0000000000d+00 1.0000000000d+00 23 3.1837180066d+00 1.0000000000d+00 1.0000000000d+00 24 1.5739459092d+00 1.0000000000d+00 1.0000000000d+00 25 7.8004895938d-01 1.0000000000d+00 1.0000000000d+00 26 3.5567271933d-01 1.0000000000d+00 1.0000000000d+00 27 7.2252862750d-02 1.0000000000d+00 1.0000000000d+00 28 2.8284190887d-02 1.0000000000d+00 1.0000000000d+00 P- 1 3.2107313099d+07 1.0000000000d+00 1.0000000000d+00 2 8.4405019175d+06 1.0000000000d+00 1.0000000000d+00 3 2.4615243158d+06 1.0000000000d+00 1.0000000000d+00 4 7.7825306087d+05 1.0000000000d+00 1.0000000000d+00 5 2.6191066530d+05 1.0000000000d+00 1.0000000000d+00 6 9.2929270517d+04 1.0000000000d+00 1.0000000000d+00 7 3.4605843149d+04 1.0000000000d+00 1.0000000000d+00 8 1.3490273360d+04 1.0000000000d+00 1.0000000000d+00 9 5.5051123388d+03 1.0000000000d+00 1.0000000000d+00 10 2.3533281535d+03 1.0000000000d+00 1.0000000000d+00 11 1.0511547027d+03 1.0000000000d+00 1.0000000000d+00 12 4.8840973158d+02 1.0000000000d+00 1.0000000000d+00 13 2.3510408020d+02 1.0000000000d+00 1.0000000000d+00 14 1.1370451975d+02 1.0000000000d+00 1.0000000000d+00 15 5.7172134243d+01 1.0000000000d+00 1.0000000000d+00 16 2.7113748403d+01 1.0000000000d+00 1.0000000000d+00 17 1.3759165533d+01 1.0000000000d+00 1.0000000000d+00 18 5.9620062175d+00 1.0000000000d+00 1.0000000000d+00 19 2.8871562175d+00 1.0000000000d+00 1.0000000000d+00 20 9.9357961604d-01 1.0000000000d+00 1.0000000000d+00 21 3.7371756597d-01 1.0000000000d+00 1.0000000000d+00 P+ 1 1.6117832699d+06 1.0000000000d+00 1.0000000000d+00 2 3.2721650115d+05 1.0000000000d+00 1.0000000000d+00 3 9.3922641968d+04 1.0000000000d+00 1.0000000000d+00 4 3.2426992159d+04 1.0000000000d+00 1.0000000000d+00 5 1.2634015051d+04 1.0000000000d+00 1.0000000000d+00 6 5.3723721064d+03 1.0000000000d+00 1.0000000000d+00 7 2.4427820539d+03 1.0000000000d+00 1.0000000000d+00 8 1.1708308922d+03 1.0000000000d+00 1.0000000000d+00 9 5.8508973276d+02 1.0000000000d+00 1.0000000000d+00 10 3.0237037369d+02 1.0000000000d+00 1.0000000000d+00 11 1.6006310917d+02 1.0000000000d+00 1.0000000000d+00 12 8.5581264005d+01 1.0000000000d+00 1.0000000000d+00 13 4.6508655645d+01 1.0000000000d+00 1.0000000000d+00 14 2.4945156020d+01 1.0000000000d+00 1.0000000000d+00 15 1.3639219978d+01 1.0000000000d+00 1.0000000000d+00 16 7.3396105570d+00 1.0000000000d+00 1.0000000000d+00 17 3.9042580818d+00 1.0000000000d+00 1.0000000000d+00 18 1.9810607152d+00 1.0000000000d+00 1.0000000000d+00 19 8.5927054397d-01 1.0000000000d+00 1.0000000000d+00 20 3.7806758686d-01 1.0000000000d+00 1.0000000000d+00 21 1.5049362068d-01 1.0000000000d+00 1.0000000000d+00 D- 1 6.9892304389d+04 1.0000000000d+00 1.0000000000d+00 2 1.6363859895d+04 1.0000000000d+00 1.0000000000d+00 3 5.2554648993d+03 1.0000000000d+00 1.0000000000d+00 4 2.0176337797d+03 1.0000000000d+00 1.0000000000d+00 5 8.7255890706d+02 1.0000000000d+00 1.0000000000d+00 6 4.0923194226d+02 1.0000000000d+00 1.0000000000d+00 7 2.0346297446d+02 1.0000000000d+00 1.0000000000d+00 8 1.0498640469d+02 1.0000000000d+00 1.0000000000d+00 9 5.5525446413d+01 1.0000000000d+00 1.0000000000d+00 10 2.9458490262d+01 1.0000000000d+00 1.0000000000d+00 11 1.5634586586d+01 1.0000000000d+00 1.0000000000d+00 12 8.2564587692d+00 1.0000000000d+00 1.0000000000d+00 13 4.2434794571d+00 1.0000000000d+00 1.0000000000d+00 14 2.0632115570d+00 1.0000000000d+00 1.0000000000d+00 15 8.9074264547d-01 1.0000000000d+00 1.0000000000d+00 D+ 1 2.3063914253d+04 1.0000000000d+00 1.0000000000d+00 2 6.6050554988d+03 1.0000000000d+00 1.0000000000d+00 3 2.4861333472d+03 1.0000000000d+00 1.0000000000d+00 4 1.0798337938d+03 1.0000000000d+00 1.0000000000d+00 5 5.1262119666d+02 1.0000000000d+00 1.0000000000d+00 6 2.5869570837d+02 1.0000000000d+00 1.0000000000d+00 7 1.3581672353d+02 1.0000000000d+00 1.0000000000d+00 8 7.3424294812d+01 1.0000000000d+00 1.0000000000d+00 9 4.0088923378d+01 1.0000000000d+00 1.0000000000d+00 10 2.1712273041d+01 1.0000000000d+00 1.0000000000d+00 11 1.1866400099d+01 1.0000000000d+00 1.0000000000d+00 12 6.3779201544d+00 1.0000000000d+00 1.0000000000d+00 13 3.3179588688d+00 1.0000000000d+00 1.0000000000d+00 14 1.6332758283d+00 1.0000000000d+00 1.0000000000d+00 15 7.0643251137d-01 1.0000000000d+00 1.0000000000d+00 F- 1 2.2532664709d+03 1.0000000000d+00 1.0000000000d+00 2 7.3148381204d+02 1.0000000000d+00 1.0000000000d+00 3 3.0336767903d+02 1.0000000000d+00 1.0000000000d+00 4 1.4246544361d+02 1.0000000000d+00 1.0000000000d+00 5 7.1312723066d+01 1.0000000000d+00 1.0000000000d+00 6 3.7112176255d+01 1.0000000000d+00 1.0000000000d+00 7 1.9540077611d+01 1.0000000000d+00 1.0000000000d+00 8 1.0311274277d+01 1.0000000000d+00 1.0000000000d+00 9 5.3289859528d+00 1.0000000000d+00 1.0000000000d+00 10 2.6428351450d+00 1.0000000000d+00 1.0000000000d+00 11 1.2433074947d+00 1.0000000000d+00 1.0000000000d+00 12 5.4143159480d-01 1.0000000000d+00 1.0000000000d+00 13 2.0701310818d-01 1.0000000000d+00 1.0000000000d+00 F+ 1 1.7601802019d+03 1.0000000000d+00 1.0000000000d+00 2 6.1037164347d+02 1.0000000000d+00 1.0000000000d+00 3 2.6334602695d+02 1.0000000000d+00 1.0000000000d+00 4 1.2631686753d+02 1.0000000000d+00 1.0000000000d+00 5 6.4100472294d+01 1.0000000000d+00 1.0000000000d+00 6 3.3559289496d+01 1.0000000000d+00 1.0000000000d+00 7 1.7734814674d+01 1.0000000000d+00 1.0000000000d+00 8 9.3508996386d+00 1.0000000000d+00 1.0000000000d+00 9 4.8009481668d+00 1.0000000000d+00 1.0000000000d+00 10 2.3667379571d+00 1.0000000000d+00 1.0000000000d+00 11 1.1024616810d+00 1.0000000000d+00 1.0000000000d+00 12 4.7417107359d-01 1.0000000000d+00 1.0000000000d+00 13 1.7866558255d-01 1.0000000000d+00 1.0000000000d+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ 7S+ -5.2562920d+03 -1.0217852d+03 -2.6800628d+02 -7.3246157d+01 -1.7424600d+01 -2.6340632d+00 -2.0361774d-01 ------------ ------------ ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 1.2521468d-03 -5.4330859d-04 2.6771040d-04 -1.4141483d-04 7.2948662d-05 -3.2450848d-05 8.1775391d-06 2 2.6499170d-03 -1.1583654d-03 5.7151814d-04 -3.0200307d-04 1.5579850d-04 -6.9305062d-05 1.7465122d-05 3 5.0712389d-03 -2.2341262d-03 1.1037741d-03 -5.8344430d-04 3.0103371d-04 -1.3392463d-04 3.3748379d-05 4 8.8201746d-03 -3.9350831d-03 1.9483841d-03 -1.0305238d-03 5.3174620d-04 -2.3654257d-04 5.9611831d-05 5 1.5117109d-02 -6.8394154d-03 3.3944987d-03 -1.7963229d-03 9.2719641d-04 -4.1256991d-04 1.0396194d-04 6 2.5128258d-02 -1.1585061d-02 5.7683692d-03 -3.0555188d-03 1.5770955d-03 -7.0150976d-04 1.7680700d-04 7 4.1105202d-02 -1.9343573d-02 9.6651197d-03 -5.1228536d-03 2.6460041d-03 -1.1778621d-03 2.9676960d-04 8 6.5677850d-02 -3.1710076d-02 1.5916150d-02 -8.4496025d-03 4.3624801d-03 -1.9398952d-03 4.8904432d-04 9 1.0253535d-01 -5.1028150d-02 2.5754167d-02 -1.3682654d-02 7.0754714d-03 -3.1522934d-03 7.9401082d-04 10 1.5389321d-01 -7.9843869d-02 4.0628682d-02 -2.1653344d-02 1.1184246d-02 -4.9702288d-03 1.2535745d-03 11 2.1134129d-01 -1.1580589d-01 5.9579233d-02 -3.1797523d-02 1.6480596d-02 -7.3547166d-03 1.8514875d-03 12 2.3836669d-01 -1.3693532d-01 7.1054844d-02 -3.8096177d-02 1.9669949d-02 -8.7209767d-03 2.2025089d-03 13 1.8181342d-01 -7.6733807d-02 3.4318559d-02 -1.7360036d-02 8.9740176d-03 -4.0603435d-03 1.0131886d-03 14 6.7219334d-02 1.4681239d-01 -1.2263429d-01 7.3552472d-02 -3.9641976d-02 1.7979476d-02 -4.5163379d-03 15 6.0795922d-03 4.3220129d-01 -4.0059233d-01 2.5113804d-01 -1.3531314d-01 6.0553103d-02 -1.5332257d-02 16 7.6217713d-04 4.1666982d-01 -4.7065939d-01 3.1306497d-01 -1.7458702d-01 7.9953101d-02 -2.0109200d-02 17 -5.2910511d-04 1.3175613d-01 1.0430119d-01 -1.2260473d-01 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1.8312903d-06 -4.5664387d-06 -2.5932604d-05 -2.1052783d-04 1.0972765d-02 6.6373469d-01 28 1.4873677d-07 -7.5013237d-07 1.8742910d-06 1.0484387d-05 8.3651574d-05 -2.8433681d-03 5.2940568d-01 *** Small Component *** 29 1.3638245d-03 -5.8919551d-04 2.9009777d-04 -1.5320771d-04 7.9030040d-05 -3.5157288d-05 8.8593323d-06 30 3.9993428d-03 -1.7286469d-03 8.5120256d-04 -4.4957702d-04 2.3188783d-04 -1.0314284d-04 2.5992933d-05 31 7.0385607d-03 -3.0468471d-03 1.5006968d-03 -7.9260452d-04 4.0888576d-04 -1.8191250d-04 4.5838661d-05 32 1.2183188d-02 -5.2824582d-03 2.6026633d-03 -1.3749160d-03 7.0914268d-04 -3.1538815d-04 7.9485622d-05 33 1.8834078d-02 -8.1898192d-03 4.0373219d-03 -2.1326790d-03 1.1003954d-03 -4.8965860d-04 1.2337483d-04 34 2.8610779d-02 -1.2494670d-02 6.1649947d-03 -3.2583462d-03 1.6804663d-03 -7.4721115d-04 1.8833966d-04 35 4.0451375d-02 -1.7798079d-02 8.7950649d-03 -4.6482073d-03 2.3993333d-03 -1.0681062d-03 2.6907517d-04 36 5.5374613d-02 -2.4663684d-02 1.2220262d-02 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-3.6031629d-07 1.8640739d-05 1.1275000d-03 56 9.7830414d-09 -4.4016600d-09 5.6243834d-09 6.1053823d-09 9.0061806d-08 -3.0222094d-06 5.6267635d-04 2P- 3P- 4P- 5P- 6P- -9.8743392d+02 -2.5227151d+02 -6.5911469d+01 -1.4326040d+01 -1.6251004d+00 ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 2.3414170d-04 -1.2248730d-04 6.4827062d-05 -3.2672274d-05 -1.3499469d-05 2 6.5897994d-04 -3.4479659d-04 1.8247493d-04 -9.1971031d-05 -3.7999017d-05 3 1.4144528d-03 -7.4024654d-04 3.9183598d-04 -1.9748390d-04 -8.1597875d-05 4 2.7995026d-03 -1.4661219d-03 7.7602219d-04 -3.9116986d-04 -1.6161406d-04 5 5.3576983d-03 -2.8083470d-03 1.4873783d-03 -7.4966510d-04 -3.0977893d-04 6 1.0180546d-02 -5.3515348d-03 2.8344617d-03 -1.4293108d-03 -5.9050086d-04 7 1.9642891d-02 -1.0368776d-02 5.5040815d-03 -2.7749481d-03 -1.1470160d-03 8 3.9228721d-02 -2.0928922d-02 1.1118566d-02 -5.6142497d-03 -2.3193619d-03 9 8.0938300d-02 -4.3806896d-02 2.3428967d-02 -1.1827386d-02 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7.5131411d-01 4.7637853d-01 18 1.8510378d-06 2.8355332d-04 -1.7208963d-03 4.3175878d-01 2.1920854d-01 19 1.7570250d-07 -1.1849479d-04 3.9731779d-04 4.4678464d-02 -4.6174132d-01 20 -1.0308422d-07 4.7562672d-05 -1.5007591d-04 -1.5250557d-03 -6.0192996d-01 21 3.8108330d-08 -1.2726994d-05 3.4512827d-05 3.9615703d-04 -1.7353394d-01 *** Small Component *** 22 4.6459936d-05 -2.5682245d-05 -1.3818892d-05 -6.9103377d-06 -2.5744678d-06 23 2.2397319d-04 -1.2397064d-04 -6.6629190d-05 -3.3277028d-05 -1.2427540d-05 24 7.9882474d-04 -4.4242245d-04 -2.3815118d-04 -1.1909637d-04 -4.4378362d-05 25 2.3840219d-03 -1.3247763d-03 -7.1281916d-04 -3.5613779d-04 -1.3299176d-04 26 6.1977453d-03 -3.4615634d-03 -1.8673944d-03 -9.3438368d-04 -3.4825525d-04 27 1.4177591d-02 -8.0146604d-03 -4.3322679d-03 -2.1672194d-03 -8.0951548d-04 28 2.8192217d-02 -1.6275426d-02 -8.8590527d-03 -4.4438184d-03 -1.6570309d-03 29 4.6547996d-02 -2.7843200d-02 -1.5280901d-02 -7.6754487d-03 -2.8705825d-03 30 5.8688892d-02 -3.6676406d-02 -2.0434207d-02 -1.0319603d-02 -3.8504000d-03 31 4.8293748d-02 -2.8833325d-02 -1.5658393d-02 -7.8266020d-03 -2.9345796d-03 32 2.0601525d-02 3.4875886d-03 5.6638992d-03 3.4201823d-03 1.3544414d-03 33 3.0770787d-03 3.4193029d-02 3.0700189d-02 1.7615533d-02 6.7337492d-03 34 6.2735107d-05 2.6339502d-02 2.2044237d-02 1.2116637d-02 4.6840497d-03 35 1.3211044d-06 5.9324260d-03 -1.1816651d-02 -1.0585577d-02 -4.5646605d-03 36 -3.5372968d-06 1.7920099d-04 -2.0882700d-02 -2.0516335d-02 -8.7902344d-03 37 7.2354560d-07 3.4909442d-05 -5.9211375d-03 3.7944530d-05 6.8087339d-04 38 -8.6148659d-08 -1.4198084d-05 -2.9348577d-04 1.2112578d-02 7.6786029d-03 39 1.0419358d-07 2.9684472d-06 -2.0004359d-05 4.9589232d-03 2.5175442d-03 40 -3.1149082d-08 -7.8109974d-07 3.0949399d-06 3.3804751d-04 -3.4919068d-03 41 1.3090163d-08 1.8973369d-07 -7.8974838d-07 -7.6842395d-06 -3.0196691d-03 42 -3.7718847d-09 -2.6160356d-08 1.1962322d-07 1.2630574d-06 -5.4924835d-04 3D- 4D- 5D- -1.7691558d+02 -4.0359575d+01 -6.1220946d+00 ------------ ------------ ------------ *** Large Component *** 1 1.3196763d-04 7.6336735d-05 3.5879403d-05 2 6.6598734d-04 3.8637715d-04 1.8179992d-04 3 2.9642566d-03 1.7243223d-03 8.1145804d-04 4 1.2090462d-02 7.0905866d-03 3.3455043d-03 5 4.2846450d-02 2.5353464d-02 1.1981482d-02 6 1.2350042d-01 7.4477030d-02 3.5386535d-02 7 2.6451855d-01 1.5992995d-01 7.5972214d-02 8 3.7522765d-01 2.1279250d-01 9.9275273d-02 9 2.8928760d-01 4.2974469d-02 -1.4464848d-03 10 9.5116326d-02 -3.4527876d-01 -2.2815358d-01 11 8.0395315d-03 -5.0857550d-01 -3.1993850d-01 12 5.0956343d-04 -2.3305908d-01 9.4741256d-02 13 -2.3779170d-04 -2.7219355d-02 5.5743759d-01 14 3.9380260d-05 -7.8232936d-04 4.2801163d-01 15 -2.6108227d-05 3.6706916d-06 9.2488751d-02 *** Small Component *** 16 5.2425120d-05 3.0346781d-05 1.4257603d-05 17 2.8744201d-04 1.6727167d-04 7.8794379d-05 18 1.1872241d-03 6.9139994d-04 3.2538962d-04 19 3.9672535d-03 2.3293281d-03 1.0994615d-03 20 1.0674546d-02 6.3190053d-03 2.9863118d-03 21 2.2602834d-02 1.3638702d-02 6.4813943d-03 22 3.5305663d-02 2.1372168d-02 1.0155107d-02 23 3.6556166d-02 2.0784904d-02 9.7050667d-03 24 2.0597328d-02 3.1115654d-03 -7.2554928d-05 25 4.8829751d-03 -1.8021479d-02 -1.1903664d-02 26 2.5487075d-04 -1.9385722d-02 -1.2199352d-02 27 -9.9329467d-06 -6.4551263d-03 2.6187797d-03 28 -1.6672455d-05 -5.3442797d-04 1.1079294d-02 29 -3.8156676d-06 -8.2180348d-06 5.9332799d-03 30 -3.1989196d-06 1.8498295d-06 8.4125977d-04 3D+ 4D+ 5D+ -1.6716806d+02 -3.7855205d+01 -5.5719175d+00 ------------ ------------ ------------ *** Large Component *** 1 9.9383878d-05 5.7997666d-05 2.7148946d-05 2 8.6430137d-04 5.0497208d-04 2.3552484d-04 3 5.0271322d-03 2.9558472d-03 1.3854221d-03 4 2.1908397d-02 1.2971919d-02 6.0724159d-03 5 7.2977294d-02 4.3924816d-02 2.0706440d-02 6 1.8249227d-01 1.1141984d-01 5.2533257d-02 7 3.2124278d-01 1.9395621d-01 9.1669119d-02 8 3.5246876d-01 1.7213811d-01 7.3940063d-02 9 2.0021031d-01 -1.0302625d-01 -8.3059961d-02 10 4.4635185d-02 -4.4733370d-01 -2.9172629d-01 11 1.9635180d-03 -4.2871933d-01 -2.2824147d-01 12 2.7968153d-04 -1.3943944d-01 2.5837653d-01 13 -1.6661530d-04 -1.0762043d-02 5.5597000d-01 14 1.4714912d-05 -6.1202713d-04 3.3503360d-01 15 -1.5734613d-05 1.9018118d-05 5.9417031d-02 *** Small Component *** 16 9.2018689d-05 5.3549447d-05 2.5071839d-05 17 5.3463288d-04 3.1116508d-04 1.4494220d-04 18 2.1265330d-03 1.2457215d-03 5.8344686d-04 19 6.4826161d-03 3.8244956d-03 1.7886207d-03 20 1.5390305d-02 9.2332209d-03 4.3493882d-03 21 2.7874282d-02 1.6970507d-02 7.9960510d-03 22 3.5916764d-02 2.1641184d-02 1.0224026d-02 23 2.9147266d-02 1.4232909d-02 6.1177752d-03 24 1.2265927d-02 -6.2465636d-03 -5.0409798d-03 25 2.0149146d-03 -2.0100038d-02 -1.3101397d-02 26 6.5372386d-05 -1.4262070d-02 -7.5923928d-03 27 6.9176021d-06 -3.4019370d-03 6.2945035d-03 28 -2.9746758d-06 -1.8949340d-04 9.7759237d-03 29 1.9738957d-07 -7.5177903d-06 4.1337525d-03 30 -1.3178949d-07 1.4493070d-07 4.8214169d-04 4F- 5F- -2.2662072d+01 -5.0475889d-01 ------------ ------------ *** Large Component *** 1 3.3095768d-04 -1.2271016d-04 2 2.9435631d-03 -1.0894147d-03 3 1.6775717d-02 -6.2519412d-03 4 6.3813816d-02 -2.3786010d-02 5 1.7099473d-01 -6.4082989d-02 6 3.1008014d-01 -1.1078169d-01 7 3.6945269d-01 -1.1303729d-01 8 2.5271210d-01 1.6216982d-02 9 7.8493322d-02 2.5099877d-01 10 7.2785405d-03 3.9045835d-01 11 6.6267797d-04 3.4766314d-01 12 1.7290363d-04 2.0767106d-01 13 8.8539183d-05 6.8703261d-02 *** Small Component *** 14 1.1721821d-04 -4.3514335d-05 15 7.5324385d-04 -2.7871101d-04 16 3.0003984d-03 -1.1183712d-03 17 8.1005587d-03 -3.0194661d-03 18 1.5592733d-02 -5.8447296d-03 19 2.0542992d-02 -7.3420309d-03 20 1.7819817d-02 -5.4556850d-03 21 8.8649673d-03 5.6600464d-04 22 1.9776944d-03 6.3365111d-03 23 1.2750375d-04 6.9452854d-03 24 7.4886176d-06 4.2423847d-03 25 1.2360527d-06 1.6724183d-03 26 4.0303432d-07 3.4210693d-04 4F+ 5F+ -2.1974130d+01 -4.2492713d-01 ------------ ------------ *** Large Component *** 1 3.4736735d-04 -1.2598504d-04 2 3.3938290d-03 -1.2308767d-03 3 1.9226862d-02 -7.0106363d-03 4 7.1495199d-02 -2.6121244d-02 5 1.8512047d-01 -6.7779138d-02 6 3.2127204d-01 -1.1155016d-01 7 3.6628916d-01 -1.0532536d-01 8 2.3334780d-01 3.7731684d-02 9 6.4923526d-02 2.6812284d-01 10 5.0374126d-03 3.8830112d-01 11 6.5491704d-04 3.3625192d-01 12 1.5344181d-04 2.0261248d-01 13 9.5714997d-05 6.9581502d-02 *** Small Component *** 14 1.4204400d-04 -5.1492727d-05 15 8.7028939d-04 -3.1542843d-04 16 3.3294413d-03 -1.2133789d-03 17 8.6873883d-03 -3.1724927d-03 18 1.6135982d-02 -5.9058184d-03 19 2.0328388d-02 -7.0565016d-03 20 1.6874154d-02 -4.8522331d-03 21 7.8123435d-03 1.2594520d-03 22 1.5576297d-03 6.4283901d-03 23 8.4947318d-05 6.5381869d-03 24 7.4930130d-06 3.8645006d-03 25 1.1696817d-06 1.5271710d-03 26 4.3898700d-07 3.2194029d-04 * Radial Moments Sym Orb S+ 1 6.03295d+04 1.43394d+02 1.20051d-02 2.05096d-04 4.54952d-06 1.24200d-07 2 1.03962d+04 3.70058d+01 4.94631d-02 2.97528d-03 2.05620d-04 1.60821d-05 3 2.49537d+03 1.33214d+01 1.29298d-01 1.93119d-02 3.17750d-03 5.70022d-04 4 6.96748d+02 5.70083d+00 2.79022d-01 8.80329d-02 3.01304d-02 1.10763d-02 5 1.86292d+02 2.55448d+00 5.71598d-01 3.65261d-01 2.52156d-01 1.86507d-01 6 3.71821d+01 1.05710d+00 1.27477d+00 1.82224d+00 2.85135d+00 4.86183d+00 7 2.42015d+00 3.00939d-01 4.13331d+00 1.95366d+01 1.04118d+02 6.20910d+02 P- 1 3.43763d+03 3.70017d+01 3.95657d-02 2.01040d-03 1.23924d-04 8.97900d-06 2 8.63711d+02 1.32317d+01 1.20911d-01 1.72079d-02 2.72889d-03 4.76773d-04 3 2.39841d+02 5.59264d+00 2.76136d-01 8.69361d-02 2.98373d-02 1.10553d-02 4 6.16409d+01 2.44245d+00 5.89464d-01 3.90291d-01 2.80454d-01 2.17137d-01 5 1.08087d+01 9.46928d-01 1.40848d+00 2.23663d+00 3.91085d+00 7.47941d+00 P+ 1 8.68880d+02 2.51067d+01 5.09120d-02 3.16336d-03 2.32472d-04 1.97528d-05 2 2.22546d+02 1.00834d+01 1.41126d-01 2.32017d-02 4.23051d-03 8.45699d-04 3 6.37229d+01 4.54473d+00 3.13613d-01 1.11785d-01 4.33813d-02 1.81484d-02 4 1.65940d+01 2.05076d+00 6.67725d-01 5.00548d-01 4.07573d-01 3.57936d-01 5 2.54685d+00 7.60565d-01 1.69888d+00 3.27667d+00 7.04894d+00 1.68708d+01 D- 1 1.25728d+02 9.96577d+00 1.21265d-01 1.72699d-02 2.83134d-03 5.26450d-04 2 3.48292d+01 4.36457d+00 3.07558d-01 1.08968d-01 4.25907d-02 1.81697d-02 3 8.10419d+00 1.82718d+00 7.32882d-01 6.10641d-01 5.61001d-01 5.65430d-01 D+ 1 1.08529d+02 9.38957d+00 1.27083d-01 1.88397d-02 3.20260d-03 6.15908d-04 2 3.01624d+01 4.16177d+00 3.18463d-01 1.16597d-01 4.70626d-02 2.07226d-02 3 6.97997d+00 1.74564d+00 7.60623d-01 6.57661d-01 6.27531d-01 6.57784d-01 F- 1 1.84238d+01 3.91127d+00 3.01657d-01 1.05666d-01 4.24318d-02 1.93317d-02 2 2.67407d+00 1.24138d+00 1.07508d+00 1.41734d+00 2.26938d+00 4.41152d+00 F+ 1 1.76348d+01 3.83536d+00 3.06869d-01 1.09192d-01 4.45023d-02 2.05679d-02 2 2.48194d+00 1.19823d+00 1.11843d+00 1.54892d+00 2.63777d+00 5.52010d+00 -------------------------------------------------------------------------------- Mendelevium [Rn]7s(2)5f(13) Nuclear Charge = 101.0000000000 Atomic Mass = 258.0000000000 Nuclear Radius = 1.437441d-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ F- F+ Number of Closed Shells 7 5 5 3 3 1 1 Open Shells 0 0 0 0 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.57142857 0.0 0.0 0.0 0.0 0.0 6.0 7.0 2 0.42857143 0.0 0.0 0.0 0.0 0.0 5.0 8.0 * Energies Total Energy = -3.579289930887587d+04 Mass Energy = -3.573119456838074d+04 Kinetic Energy = 8.209399424947784d+04 Potential Energy = -8.215569898997297d+04 Correction to Virial = 6.170578851386976d+01 Virials -/ = 1.000751635257356d+00 -(CORR )/ = -7.516480234394521d-04 -[+(CORR )]/ = 9.999999872339170d-01 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 3.6568056706d+07 1.0000000000d+00 1.0000000000d+00 2 8.4841276600d+06 1.0000000000d+00 1.0000000000d+00 3 2.7140956654d+06 1.0000000000d+00 1.0000000000d+00 4 9.7607397922d+05 1.0000000000d+00 1.0000000000d+00 5 3.9129579368d+05 1.0000000000d+00 1.0000000000d+00 6 1.6786309586d+05 1.0000000000d+00 1.0000000000d+00 7 7.6898306449d+04 1.0000000000d+00 1.0000000000d+00 8 3.7073798617d+04 1.0000000000d+00 1.0000000000d+00 9 1.8689555333d+04 1.0000000000d+00 1.0000000000d+00 10 9.6731926167d+03 1.0000000000d+00 1.0000000000d+00 11 5.0659600407d+03 1.0000000000d+00 1.0000000000d+00 12 2.6629907163d+03 1.0000000000d+00 1.0000000000d+00 13 1.4051114177d+03 1.0000000000d+00 1.0000000000d+00 14 7.4376628957d+02 1.0000000000d+00 1.0000000000d+00 15 4.0039360880d+02 1.0000000000d+00 1.0000000000d+00 16 2.1797115196d+02 1.0000000000d+00 1.0000000000d+00 17 1.1863620659d+02 1.0000000000d+00 1.0000000000d+00 18 6.7854246750d+01 1.0000000000d+00 1.0000000000d+00 19 3.8260788448d+01 1.0000000000d+00 1.0000000000d+00 20 2.0330362643d+01 1.0000000000d+00 1.0000000000d+00 21 1.1588876430d+01 1.0000000000d+00 1.0000000000d+00 22 6.0926263009d+00 1.0000000000d+00 1.0000000000d+00 23 3.3047018995d+00 1.0000000000d+00 1.0000000000d+00 24 1.6262041179d+00 1.0000000000d+00 1.0000000000d+00 25 8.0684650812d-01 1.0000000000d+00 1.0000000000d+00 26 3.6735205470d-01 1.0000000000d+00 1.0000000000d+00 27 7.4094501625d-02 1.0000000000d+00 1.0000000000d+00 28 2.8881298842d-02 1.0000000000d+00 1.0000000000d+00 P- 1 3.2145130438d+07 1.0000000000d+00 1.0000000000d+00 2 8.4818929996d+06 1.0000000000d+00 1.0000000000d+00 3 2.4823390067d+06 1.0000000000d+00 1.0000000000d+00 4 7.8644844628d+05 1.0000000000d+00 1.0000000000d+00 5 2.6493422044d+05 1.0000000000d+00 1.0000000000d+00 6 9.4136709545d+04 1.0000000000d+00 1.0000000000d+00 7 3.5109009246d+04 1.0000000000d+00 1.0000000000d+00 8 1.3711642577d+04 1.0000000000d+00 1.0000000000d+00 9 5.6076489169d+03 1.0000000000d+00 1.0000000000d+00 10 2.4019311763d+03 1.0000000000d+00 1.0000000000d+00 11 1.0746653873d+03 1.0000000000d+00 1.0000000000d+00 12 5.0001667248d+02 1.0000000000d+00 1.0000000000d+00 13 2.4091985693d+02 1.0000000000d+00 1.0000000000d+00 14 1.1672161706d+02 1.0000000000d+00 1.0000000000d+00 15 5.8757701497d+01 1.0000000000d+00 1.0000000000d+00 16 2.7921303072d+01 1.0000000000d+00 1.0000000000d+00 17 1.4204540216d+01 1.0000000000d+00 1.0000000000d+00 18 6.1837620510d+00 1.0000000000d+00 1.0000000000d+00 19 2.9949186172d+00 1.0000000000d+00 1.0000000000d+00 20 1.0331433239d+00 1.0000000000d+00 1.0000000000d+00 21 3.8763647432d-01 1.0000000000d+00 1.0000000000d+00 P+ 1 1.5934637283d+06 1.0000000000d+00 1.0000000000d+00 2 3.2287331962d+05 1.0000000000d+00 1.0000000000d+00 3 9.2622249430d+04 1.0000000000d+00 1.0000000000d+00 4 3.1949155547d+04 1.0000000000d+00 1.0000000000d+00 5 1.2444111142d+04 1.0000000000d+00 1.0000000000d+00 6 5.2927148438d+03 1.0000000000d+00 1.0000000000d+00 7 2.4090668873d+03 1.0000000000d+00 1.0000000000d+00 8 1.1574672048d+03 1.0000000000d+00 1.0000000000d+00 9 5.8022564076d+02 1.0000000000d+00 1.0000000000d+00 10 3.0069136935d+02 1.0000000000d+00 1.0000000000d+00 11 1.5957510265d+02 1.0000000000d+00 1.0000000000d+00 12 8.5681335266d+01 1.0000000000d+00 1.0000000000d+00 13 4.6652991057d+01 1.0000000000d+00 1.0000000000d+00 14 2.5054591642d+01 1.0000000000d+00 1.0000000000d+00 15 1.3748556604d+01 1.0000000000d+00 1.0000000000d+00 16 7.3994668994d+00 1.0000000000d+00 1.0000000000d+00 17 3.9445223815d+00 1.0000000000d+00 1.0000000000d+00 18 2.0039894057d+00 1.0000000000d+00 1.0000000000d+00 19 8.7211076748d-01 1.0000000000d+00 1.0000000000d+00 20 3.8295947535d-01 1.0000000000d+00 1.0000000000d+00 21 1.5223718374d-01 1.0000000000d+00 1.0000000000d+00 D- 1 6.9573837408d+04 1.0000000000d+00 1.0000000000d+00 2 1.6270957449d+04 1.0000000000d+00 1.0000000000d+00 3 5.2256165136d+03 1.0000000000d+00 1.0000000000d+00 4 2.0059354572d+03 1.0000000000d+00 1.0000000000d+00 5 8.6778088101d+02 1.0000000000d+00 1.0000000000d+00 6 4.0753270509d+02 1.0000000000d+00 1.0000000000d+00 7 2.0298387621d+02 1.0000000000d+00 1.0000000000d+00 8 1.0499350368d+02 1.0000000000d+00 1.0000000000d+00 9 5.5644720338d+01 1.0000000000d+00 1.0000000000d+00 10 2.9585278718d+01 1.0000000000d+00 1.0000000000d+00 11 1.5765526206d+01 1.0000000000d+00 1.0000000000d+00 12 8.3493595216d+00 1.0000000000d+00 1.0000000000d+00 13 4.3059178388d+00 1.0000000000d+00 1.0000000000d+00 14 2.0990286404d+00 1.0000000000d+00 1.0000000000d+00 15 9.0748610789d-01 1.0000000000d+00 1.0000000000d+00 D+ 1 2.3024743225d+04 1.0000000000d+00 1.0000000000d+00 2 6.5972546920d+03 1.0000000000d+00 1.0000000000d+00 3 2.4837837314d+03 1.0000000000d+00 1.0000000000d+00 4 1.0788992819d+03 1.0000000000d+00 1.0000000000d+00 5 5.1205137246d+02 1.0000000000d+00 1.0000000000d+00 6 2.5837950333d+02 1.0000000000d+00 1.0000000000d+00 7 1.3571597164d+02 1.0000000000d+00 1.0000000000d+00 8 7.3483774141d+01 1.0000000000d+00 1.0000000000d+00 9 4.0213950162d+01 1.0000000000d+00 1.0000000000d+00 10 2.1847265992d+01 1.0000000000d+00 1.0000000000d+00 11 1.1985834579d+01 1.0000000000d+00 1.0000000000d+00 12 6.4664750174d+00 1.0000000000d+00 1.0000000000d+00 13 3.3714937688d+00 1.0000000000d+00 1.0000000000d+00 14 1.6621244099d+00 1.0000000000d+00 1.0000000000d+00 15 7.1845671197d-01 1.0000000000d+00 1.0000000000d+00 F- 1 2.2573457834d+03 1.0000000000d+00 1.0000000000d+00 2 7.3234576578d+02 1.0000000000d+00 1.0000000000d+00 3 3.0344987676d+02 1.0000000000d+00 1.0000000000d+00 4 1.4245496581d+02 1.0000000000d+00 1.0000000000d+00 5 7.1390189201d+01 1.0000000000d+00 1.0000000000d+00 6 3.7238024999d+01 1.0000000000d+00 1.0000000000d+00 7 1.9686186431d+01 1.0000000000d+00 1.0000000000d+00 8 1.0439641714d+01 1.0000000000d+00 1.0000000000d+00 9 5.4254901225d+00 1.0000000000d+00 1.0000000000d+00 10 2.7060931998d+00 1.0000000000d+00 1.0000000000d+00 11 1.2798414530d+00 1.0000000000d+00 1.0000000000d+00 12 5.6041957463d-01 1.0000000000d+00 1.0000000000d+00 13 2.1566113991d-01 1.0000000000d+00 1.0000000000d+00 F+ 1 1.7786725716d+03 1.0000000000d+00 1.0000000000d+00 2 6.1500330309d+02 1.0000000000d+00 1.0000000000d+00 3 2.6474367831d+02 1.0000000000d+00 1.0000000000d+00 4 1.2708958795d+02 1.0000000000d+00 1.0000000000d+00 5 6.4606161469d+01 1.0000000000d+00 1.0000000000d+00 6 3.3883703456d+01 1.0000000000d+00 1.0000000000d+00 7 1.7970401807d+01 1.0000000000d+00 1.0000000000d+00 8 9.5173676322d+00 1.0000000000d+00 1.0000000000d+00 9 4.9101368972d+00 1.0000000000d+00 1.0000000000d+00 10 2.4316159436d+00 1.0000000000d+00 1.0000000000d+00 11 1.1372283485d+00 1.0000000000d+00 1.0000000000d+00 12 4.9140019764d-01 1.0000000000d+00 1.0000000000d+00 13 1.8629261117d-01 1.0000000000d+00 1.0000000000d+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ 7S+ -5.3900683d+03 -1.0519126d+03 -2.7659457d+02 -7.5899203d+01 -1.8106628d+01 -2.7135490d+00 -2.0628197d-01 ------------ ------------ ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 1.3307884d-03 -5.8079248d-04 2.8647208d-04 -1.5160952d-04 7.8524612d-05 -3.4968843d-05 8.7251109d-06 2 2.8086744d-03 -1.2350502d-03 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-1.4398257d-06 1.4939349d-04 -2.0812091d-02 -2.0638769d-02 -8.8049505d-03 37 -8.6724353d-08 3.3201672d-05 -5.6112864d-03 9.4972281d-04 1.1654721d-03 38 2.2069400d-07 -1.3719458d-05 -2.5374098d-04 1.2245637d-02 7.7480721d-03 39 9.1016666d-09 2.8441619d-06 -2.0735673d-05 4.7476956d-03 2.2816077d-03 40 -8.7144914d-09 -7.4259703d-07 3.3019994d-06 3.1146443d-04 -3.5694681d-03 41 7.5248781d-09 1.7796497d-07 -8.4217745d-07 -6.3149715d-06 -3.0008790d-03 42 -3.0102158d-09 -2.4376296d-08 1.2731047d-07 1.0386237d-06 -5.4227056d-04 3D- 4D- 5D- -1.8198810d+02 -4.1788096d+01 -6.3650164d+00 ------------ ------------ ------------ *** Large Component *** 1 1.4078264d-04 8.1760227d-05 3.8668628d-05 2 7.1000570d-04 4.1351928d-04 1.9572900d-04 3 3.1533041d-03 1.8420021d-03 8.7241472d-04 4 1.2820066d-02 7.5493332d-03 3.5831513d-03 5 4.5076680d-02 2.6796696d-02 1.2747402d-02 6 1.2841876d-01 7.7782609d-02 3.7179336d-02 7 2.7046283d-01 1.6406077d-01 7.8442048d-02 8 3.7539109d-01 2.1185965d-01 9.9032986d-02 9 2.8157541d-01 3.0176147d-02 -9.0009492d-03 10 8.9474207d-02 -3.5796338d-01 -2.3835710d-01 11 7.1527381d-03 -5.0335451d-01 -3.1611398d-01 12 4.7500590d-04 -2.2179645d-01 1.1687426d-01 13 -2.3996774d-04 -2.4695463d-02 5.6150086d-01 14 3.5161319d-05 -8.0895588d-04 4.1504657d-01 15 -2.5741469d-05 6.0716128d-06 8.7143467d-02 *** Small Component *** 16 5.6203040d-05 3.2671474d-05 1.5453213d-05 17 3.0710905d-04 1.7939626d-04 8.4984224d-05 18 1.2632104d-03 7.3881342d-04 3.5000027d-04 19 4.2018838d-03 2.4771987d-03 1.1761366d-03 20 1.1209903d-02 6.6668112d-03 3.1716727d-03 21 2.3464049d-02 1.4220989d-02 6.7987110d-03 22 3.6063276d-02 2.1903992d-02 1.0475876d-02 23 3.6574169d-02 2.0698680d-02 9.6844428d-03 24 2.0064136d-02 2.2007756d-03 -6.1164259d-04 25 4.5964330d-03 -1.8724750d-02 -1.2463516d-02 26 2.2152311d-04 -1.9266822d-02 -1.2104625d-02 27 -1.1157906d-05 -6.1770010d-03 3.2501750d-03 28 -1.6992450d-05 -4.8761523d-04 1.1241855d-02 29 -3.9640998d-06 -8.6156079d-06 5.8031816d-03 30 -3.2846613d-06 1.9368273d-06 7.9992763d-04 3D+ 4D+ 5D+ -1.7177778d+02 -3.9148634d+01 -5.7784429d+00 ------------ ------------ ------------ *** Large Component *** 1 1.0528150d-04 6.1704868d-05 2.9054550d-05 2 9.1182682d-04 5.3499760d-04 2.5102307d-04 3 5.2836400d-03 3.1205683d-03 1.4713646d-03 4 2.2926277d-02 1.3635897d-02 6.4219580d-03 5 7.5953432d-02 4.5942423d-02 2.1790857d-02 6 1.8804522d-01 1.1530026d-01 5.4691477d-02 7 3.2578218d-01 1.9715038d-01 9.3694898d-02 8 3.4871857d-01 1.6656454d-01 7.0939914d-02 9 1.9263365d-01 -1.1678453d-01 -9.1795546d-02 10 4.1523534d-02 -4.5424775d-01 -2.9901501d-01 11 1.7396914d-03 -4.1890116d-01 -2.1734504d-01 12 2.3671042d-04 -1.3174499d-01 2.7613941d-01 13 -1.5886783d-04 -9.9119457d-03 5.5401664d-01 14 8.7561767d-06 -5.9685211d-04 3.2418578d-01 15 -1.4882892d-05 5.7278511d-06 5.6018249d-02 *** Small Component *** 16 9.7156836d-05 5.6782590d-05 2.6741490d-05 17 5.6304648d-04 3.2905952d-04 1.5419129d-04 18 2.2328378d-03 1.3137554d-03 6.1897059d-04 19 6.7797242d-03 4.0175153d-03 1.8902388d-03 20 1.6010260d-02 9.6520883d-03 4.5745923d-03 21 2.8708384d-02 1.7552082d-02 8.3199326d-03 22 3.6416060d-02 2.1992482d-02 1.0447580d-02 23 2.8853510d-02 1.3782415d-02 5.8750263d-03 24 1.1821198d-02 -7.0967882d-03 -5.5818325d-03 25 1.8807076d-03 -2.0474871d-02 -1.3470797d-02 26 5.8074934d-05 -1.4006137d-02 -7.2670768d-03 27 5.9756586d-06 -3.2364764d-03 6.7740913d-03 28 -2.8922519d-06 -1.7597346d-04 9.8199039d-03 29 1.3683305d-07 -7.3820131d-06 4.0351064d-03 30 -1.2908078d-07 3.4029767d-08 4.5841382d-04 4F- 5F- -2.3668074d+01 -5.3585257d-01 ------------ ------------ *** Large Component *** 1 3.5362158d-04 -1.3328166d-04 2 3.1399023d-03 -1.1829222d-03 3 1.7823059d-02 -6.7548484d-03 4 6.7115183d-02 -2.5467746d-02 5 1.7717926d-01 -6.7492358d-02 6 3.1470284d-01 -1.1400261d-01 7 3.6688131d-01 -1.1218097d-01 8 2.4403259d-01 2.5460450d-02 9 7.3514680d-02 2.6034853d-01 10 6.7238384d-03 3.9041523d-01 11 6.6618646d-04 3.4072904d-01 12 1.9104241d-04 2.0034522d-01 13 8.8895118d-05 6.4973259d-02 *** Small Component *** 14 1.2533702d-04 -4.7284945d-05 15 8.0398419d-04 -3.0284375d-04 16 3.1884328d-03 -1.2085824d-03 17 8.5201056d-03 -3.2331626d-03 18 1.6165816d-02 -6.1592478d-03 19 2.0884793d-02 -7.5685575d-03 20 1.7761500d-02 -5.4347966d-03 21 8.6131534d-03 8.9571722d-04 22 1.8685139d-03 6.6317643d-03 23 1.1900575d-04 7.0270595d-03 24 7.6237109d-06 4.2183842d-03 25 1.4029217d-06 1.6414542d-03 26 4.1118195d-07 3.3021756d-04 4F+ 5F+ -2.2938298d+01 -4.4740047d-01 ------------ ------------ *** Large Component *** 1 3.6262107d-04 -1.3361502d-04 2 3.5704286d-03 -1.3173182d-03 3 2.0163286d-02 -7.4730256d-03 4 7.4157646d-02 -2.7564986d-02 5 1.8984718d-01 -7.0614221d-02 6 3.2472057d-01 -1.1432641d-01 7 3.6358478d-01 -1.0437765d-01 8 2.2635845d-01 4.5640118d-02 9 6.1440195d-02 2.7560229d-01 10 4.7516438d-03 3.8789917d-01 11 6.6058585d-04 3.3033826d-01 12 1.7379753d-04 1.9637655d-01 13 9.6870513d-05 6.6595519d-02 *** Small Component *** 14 1.4881929d-04 -5.4804173d-05 15 9.1860245d-04 -3.3869485d-04 16 3.5001947d-03 -1.2965552d-03 17 9.0378527d-03 -3.3578026d-03 18 1.6612933d-02 -6.1769112d-03 19 2.0645571d-02 -7.2669198d-03 20 1.6860774d-02 -4.8406415d-03 21 7.6457054d-03 1.5373843d-03 22 1.4907541d-03 6.6824394d-03 23 8.1224020d-05 6.6203330d-03 24 7.6767358d-06 3.8559346d-03 25 1.3467926d-06 1.5068196d-03 26 4.5377071d-07 3.1463298d-04 * Radial Moments Sym Orb S+ 1 6.34614d+04 1.46354d+02 1.18112d-02 1.98893d-04 4.35307d-06 1.17323d-07 2 1.10555d+04 3.78731d+01 4.86394d-02 2.87998d-03 1.96002d-04 1.51004d-05 3 2.65831d+03 1.36083d+01 1.27252d-01 1.87128d-02 3.03169d-03 5.35554d-04 4 7.44860d+02 5.82192d+00 2.74418d-01 8.51649d-02 2.86705d-02 1.03655d-02 5 2.00714d+02 2.61351d+00 5.60831d-01 3.51686d-01 2.38231d-01 1.72882d-01 6 4.01329d+01 1.08025d+00 1.25031d+00 1.75349d+00 2.69261d+00 4.50699d+00 7 2.55946d+00 3.04862d-01 4.08174d+00 1.90651d+01 1.00478d+02 5.92909d+02 P- 1 3.67778d+03 3.78885d+01 3.88309d-02 1.93991d-03 1.17673d-04 8.39566d-06 2 9.26916d+02 1.35226d+01 1.18908d-01 1.66511d-02 2.59863d-03 4.46840d-04 3 2.58395d+02 5.71460d+00 2.71386d-01 8.39875d-02 2.83329d-02 1.03169d-02 4 6.69620d+01 2.50120d+00 5.77768d-01 3.75019d-01 2.64147d-01 2.00427d-01 5 1.17504d+01 9.68301d-01 1.38034d+00 2.14885d+00 3.68461d+00 6.91241d+00 P+ 1 8.89936d+02 2.54030d+01 5.03308d-02 3.09199d-03 2.24683d-04 1.88782d-05 2 2.28689d+02 1.02165d+01 1.39386d-01 2.26367d-02 4.07722d-03 8.05074d-04 3 6.57837d+01 4.61401d+00 3.09218d-01 1.08682d-01 4.15833d-02 1.71481d-02 4 1.72574d+01 2.08840d+00 6.56621d-01 4.84112d-01 3.87672d-01 3.34798d-01 5 2.62340d+00 7.70873d-01 1.67696d+00 3.19480d+00 6.79466d+00 1.60926d+01 D- 1 1.29181d+02 1.00986d+01 1.19697d-01 1.68275d-02 2.72332d-03 4.99824d-04 2 3.59826d+01 4.43437d+00 3.02885d-01 1.05684d-01 4.06723d-02 1.70800d-02 3 8.45326d+00 1.86460d+00 7.19025d-01 5.87845d-01 5.29858d-01 5.23896d-01 D+ 1 1.11141d+02 9.50216d+00 1.25568d-01 1.83915d-02 3.08851d-03 5.86699d-04 2 3.10630d+01 4.22417d+00 3.13827d-01 1.13223d-01 4.50242d-02 1.95260d-02 3 7.25490d+00 1.77954d+00 7.46820d-01 6.34094d-01 5.94100d-01 6.11433d-01 F- 1 1.90315d+01 3.97652d+00 2.96502d-01 1.02015d-01 4.02116d-02 1.79727d-02 2 2.83019d+00 1.27825d+00 1.04361d+00 1.33380d+00 2.06727d+00 3.88675d+00 F+ 1 1.82002d+01 3.89785d+00 3.01718d-01 1.05478d-01 4.22071d-02 1.91412d-02 2 2.62218d+00 1.23281d+00 1.08660d+00 1.46040d+00 2.41088d+00 4.88881d+00 -------------------------------------------------------------------------------- Nobelium [Rn]7s(2)5f(14) Nuclear Charge = 102.0000000000 Atomic Mass = 259.0000000000 Nuclear Radius = 1.439117d-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ F- F+ Number of Closed Shells 7 5 5 3 3 2 2 Open Shells 0 0 0 0 0 0 0 * Energies Total Energy = -3.674074170200909d+04 Mass Energy = -3.667273608260149d+04 Kinetic Energy = 8.461856840814248d+04 Potential Energy = -8.468657402755007d+04 Correction to Virial = 6.800315183493301d+01 Virials -/ = 1.000803672535318d+00 -(CORR )/ = -8.036433741933804d-04 -[+(CORR )]/ = 1.000000029161125d+00 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 3.6535162444d+07 1.0000000000d+00 1.0000000000d+00 2 8.4729997733d+06 1.0000000000d+00 1.0000000000d+00 3 2.7098744379d+06 1.0000000000d+00 1.0000000000d+00 4 9.7410594828d+05 1.0000000000d+00 1.0000000000d+00 5 3.9046126947d+05 1.0000000000d+00 1.0000000000d+00 6 1.6757815962d+05 1.0000000000d+00 1.0000000000d+00 7 7.6853874023d+04 1.0000000000d+00 1.0000000000d+00 8 3.7111863320d+04 1.0000000000d+00 1.0000000000d+00 9 1.8750417499d+04 1.0000000000d+00 1.0000000000d+00 10 9.7161346198d+03 1.0000000000d+00 1.0000000000d+00 11 5.0887007980d+03 1.0000000000d+00 1.0000000000d+00 12 2.6748620812d+03 1.0000000000d+00 1.0000000000d+00 13 1.4115888303d+03 1.0000000000d+00 1.0000000000d+00 14 7.4661044468d+02 1.0000000000d+00 1.0000000000d+00 15 4.0253873691d+02 1.0000000000d+00 1.0000000000d+00 16 2.1954256624d+02 1.0000000000d+00 1.0000000000d+00 17 1.1948116192d+02 1.0000000000d+00 1.0000000000d+00 18 6.8485882789d+01 1.0000000000d+00 1.0000000000d+00 19 3.8682634730d+01 1.0000000000d+00 1.0000000000d+00 20 2.0700477916d+01 1.0000000000d+00 1.0000000000d+00 21 1.1825096147d+01 1.0000000000d+00 1.0000000000d+00 22 6.2879588982d+00 1.0000000000d+00 1.0000000000d+00 23 3.3972262393d+00 1.0000000000d+00 1.0000000000d+00 24 1.6633678425d+00 1.0000000000d+00 1.0000000000d+00 25 8.2865125862d-01 1.0000000000d+00 1.0000000000d+00 26 3.7771844814d-01 1.0000000000d+00 1.0000000000d+00 27 7.6057146735d-02 1.0000000000d+00 1.0000000000d+00 28 2.9501880301d-02 1.0000000000d+00 1.0000000000d+00 P- 1 3.2153384385d+07 1.0000000000d+00 1.0000000000d+00 2 8.4930447625d+06 1.0000000000d+00 1.0000000000d+00 3 2.4866018759d+06 1.0000000000d+00 1.0000000000d+00 4 7.8762553604d+05 1.0000000000d+00 1.0000000000d+00 5 2.6538270380d+05 1.0000000000d+00 1.0000000000d+00 6 9.4244948528d+04 1.0000000000d+00 1.0000000000d+00 7 3.5113136641d+04 1.0000000000d+00 1.0000000000d+00 8 1.3703217715d+04 1.0000000000d+00 1.0000000000d+00 9 5.6032436172d+03 1.0000000000d+00 1.0000000000d+00 10 2.4011908649d+03 1.0000000000d+00 1.0000000000d+00 11 1.0754518244d+03 1.0000000000d+00 1.0000000000d+00 12 5.0119361784d+02 1.0000000000d+00 1.0000000000d+00 13 2.4190288878d+02 1.0000000000d+00 1.0000000000d+00 14 1.1780687944d+02 1.0000000000d+00 1.0000000000d+00 15 5.9530693328d+01 1.0000000000d+00 1.0000000000d+00 16 2.8445928080d+01 1.0000000000d+00 1.0000000000d+00 17 1.4534425395d+01 1.0000000000d+00 1.0000000000d+00 18 6.3802676683d+00 1.0000000000d+00 1.0000000000d+00 19 3.0889327110d+00 1.0000000000d+00 1.0000000000d+00 20 1.0709676389d+00 1.0000000000d+00 1.0000000000d+00 21 4.0095908120d-01 1.0000000000d+00 1.0000000000d+00 P+ 1 1.6051165766d+06 1.0000000000d+00 1.0000000000d+00 2 3.2333370819d+05 1.0000000000d+00 1.0000000000d+00 3 9.2281522898d+04 1.0000000000d+00 1.0000000000d+00 4 3.1784206156d+04 1.0000000000d+00 1.0000000000d+00 5 1.2372375801d+04 1.0000000000d+00 1.0000000000d+00 6 5.2616367457d+03 1.0000000000d+00 1.0000000000d+00 7 2.3963617901d+03 1.0000000000d+00 1.0000000000d+00 8 1.1521994592d+03 1.0000000000d+00 1.0000000000d+00 9 5.7794007151d+02 1.0000000000d+00 1.0000000000d+00 10 2.9958672936d+02 1.0000000000d+00 1.0000000000d+00 11 1.5901199438d+02 1.0000000000d+00 1.0000000000d+00 12 8.5644364253d+01 1.0000000000d+00 1.0000000000d+00 13 4.6683603172d+01 1.0000000000d+00 1.0000000000d+00 14 2.5059876337d+01 1.0000000000d+00 1.0000000000d+00 15 1.3799845514d+01 1.0000000000d+00 1.0000000000d+00 16 7.4248526586d+00 1.0000000000d+00 1.0000000000d+00 17 3.9618429585d+00 1.0000000000d+00 1.0000000000d+00 18 2.0147909603d+00 1.0000000000d+00 1.0000000000d+00 19 8.8038878325d-01 1.0000000000d+00 1.0000000000d+00 20 3.8597419096d-01 1.0000000000d+00 1.0000000000d+00 21 1.5329024486d-01 1.0000000000d+00 1.0000000000d+00 D- 1 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-3.7722130d-02 -2.1145854d-02 -1.0761303d-02 -3.9740421d-03 31 4.7228523d-02 -2.7472327d-02 -1.4809922d-02 -7.4498590d-03 -2.7662253d-03 32 1.8831403d-02 6.8683042d-03 8.2432189d-03 4.9166263d-03 1.9121590d-03 33 2.5310454d-03 3.5733898d-02 3.2498001d-02 1.8813679d-02 7.1208258d-03 34 6.3434841d-05 2.5172045d-02 2.0235895d-02 1.1097326d-02 4.2498528d-03 35 -9.0221710d-06 5.1815725d-03 -1.4217351d-02 -1.2851027d-02 -5.4941697d-03 36 1.4076477d-06 1.1223103d-04 -2.0614269d-02 -2.0606145d-02 -8.7473084d-03 37 -1.2146818d-06 3.2861681d-05 -5.2328182d-03 2.0472619d-03 1.7437112d-03 38 6.5358493d-07 -1.3710450d-05 -2.1071947d-04 1.2317398d-02 7.7801156d-03 39 -1.2723744d-07 2.8920429d-06 -2.0975806d-05 4.4717742d-03 1.9884918d-03 40 2.4526640d-08 -7.4967387d-07 3.4439105d-06 2.7962377d-04 -3.6530218d-03 41 -9.3833318d-10 1.7901940d-07 -8.7563011d-07 -4.8294465d-06 -2.9651085d-03 42 -1.7233851d-09 -2.4874082d-08 1.3167005d-07 7.9293570d-07 -5.2920479d-04 3D- 4D- 5D- -1.8713275d+02 -4.3236104d+01 -6.6097622d+00 ------------ ------------ ------------ *** Large Component *** 1 1.4878293d-04 8.6742393d-05 4.1267824d-05 2 7.5129813d-04 4.3921549d-04 2.0905220d-04 3 3.3394946d-03 1.9587806d-03 9.3340313d-04 4 1.3547626d-02 8.0093244d-03 3.8226343d-03 5 4.7348936d-02 2.8275475d-02 1.3535995d-02 6 1.3368647d-01 8.1312072d-02 3.9083573d-02 7 2.7742606d-01 1.6880967d-01 8.1217204d-02 8 3.7612083d-01 2.1074370d-01 9.8545210d-02 9 2.7285818d-01 1.4786397d-02 -1.8156195d-02 10 8.2990675d-02 -3.7331185d-01 -2.5046110d-01 11 6.1603240d-03 -4.9676525d-01 -3.0969402d-01 12 4.3066825d-04 -2.0794737d-01 1.4480837d-01 13 -2.3891806d-04 -2.1635078d-02 5.6513493d-01 14 3.0704939d-05 -8.3722768d-04 3.9858822d-01 15 -2.5029047d-05 1.3622980d-05 8.0735525d-02 *** Small Component *** 16 5.9634285d-05 3.4810621d-05 1.6571304d-05 17 3.2574532d-04 1.9097683d-04 9.0946006d-05 18 1.3386909d-03 7.8626402d-04 3.7483068d-04 19 4.4382182d-03 2.6268447d-03 1.2540299d-03 20 1.1759717d-02 7.0257994d-03 3.3637594d-03 21 2.4387250d-02 1.4842940d-02 7.1356508d-03 22 3.6927459d-02 2.2500556d-02 1.0828807d-02 23 3.6589413d-02 2.0562594d-02 9.6250026d-03 24 1.9415127d-02 1.0999984d-03 -1.2637782d-03 25 4.2538217d-03 -1.9522081d-02 -1.3092852d-02 26 1.8341463d-04 -1.9039628d-02 -1.1875425d-02 27 -1.2525944d-05 -5.8032765d-03 4.0375382d-03 28 -1.7128466d-05 -4.2778071d-04 1.1357561d-02 29 -4.0752544d-06 -9.0282294d-06 5.6020020d-03 30 -3.3443612d-06 2.0581540d-06 7.4556317d-04 3D+ 4D+ 5D+ -1.7644286d+02 -4.0456083d+01 -5.9852283d+00 ------------ ------------ ------------ *** Large Component *** 1 1.1126099d-04 6.5481449d-05 3.1006123d-05 2 9.6041726d-04 5.6586056d-04 2.6698111d-04 3 5.5445209d-03 3.2888439d-03 1.5595151d-03 4 2.3948723d-02 1.4307264d-02 6.7762480d-03 5 7.8851582d-02 4.7923681d-02 2.2863546d-02 6 1.9340360d-01 1.1907606d-01 5.6799542d-02 7 3.3062503d-01 2.0048074d-01 9.5771579d-02 8 3.4581599d-01 1.6080750d-01 6.7649347d-02 9 1.8481299d-01 -1.3344918d-01 -1.0239005d-01 10 3.7825524d-02 -4.6457774d-01 -3.0861365d-01 11 1.4778566d-03 -4.0656313d-01 -2.0075723d-01 12 1.7168507d-04 -1.2071702d-01 3.0266895d-01 13 -1.4163320d-04 -8.4887373d-03 5.5051110d-01 14 4.5992575d-07 -5.8687049d-04 3.0699187d-01 15 -1.3051027d-05 -1.5374716d-07 5.0645236d-02 *** Small Component *** 16 1.0239326d-04 6.0090103d-05 2.8458363d-05 17 5.9214135d-04 3.4747747d-04 1.6372077d-04 18 2.3413507d-03 1.3834726d-03 6.5550704d-04 19 7.0795685d-03 4.2134895d-03 1.9935952d-03 20 1.6619825d-02 1.0066874d-02 4.7989996d-03 21 2.9526896d-02 1.8126272d-02 8.6401857d-03 22 3.6957905d-02 2.2364203d-02 1.0679307d-02 23 2.8611167d-02 1.3308046d-02 5.6046768d-03 24 1.1338078d-02 -8.1118240d-03 -6.2259796d-03 25 1.7134708d-03 -2.0939593d-02 -1.3902507d-02 26 4.9205524d-05 -1.3600935d-02 -6.7168449d-03 27 4.4412511d-06 -2.9683345d-03 7.4323357d-03 28 -2.6183471d-06 -1.5097465d-04 9.7715384d-03 29 4.4429242d-08 -7.2575699d-06 3.8281374d-03 30 -1.1708519d-07 -1.7629931d-08 4.1492706d-04 4F- 5F- -2.4687144d+01 -5.6618201d-01 ------------ ------------ *** Large Component *** 1 3.8016582d-04 -1.4492233d-04 2 3.3586165d-03 -1.2814435d-03 3 1.8919352d-02 -7.2550726d-03 4 7.0586021d-02 -2.7130143d-02 5 1.8420787d-01 -7.0949903d-02 6 3.2155941d-01 -1.1743685d-01 7 3.6576891d-01 -1.1032636d-01 8 2.3341868d-01 3.9219460d-02 9 6.6185368d-02 2.7431356d-01 10 5.3114473d-03 3.9052087d-01 11 2.5081285d-04 3.3065522d-01 12 -3.3325326d-05 1.8990601d-01 13 1.3438799d-05 5.9833794d-02 *** Small Component *** 14 1.3482233d-04 -5.1431062d-05 15 8.5972337d-04 -3.2798882d-04 16 3.3845584d-03 -1.2980650d-03 17 8.9605388d-03 -3.4441717d-03 18 1.6807601d-02 -6.4750764d-03 19 2.1336717d-02 -7.7956225d-03 20 1.7708796d-02 -5.3457440d-03 21 8.2429509d-03 1.3822126d-03 22 1.6842957d-03 6.9985661d-03 23 9.3878332d-05 7.0510823d-03 24 2.4918092d-06 4.1149590d-03 25 -4.3876006d-07 1.5684894d-03 26 2.7037633d-08 3.0778479d-04 4F+ 5F+ -2.3913733d+01 -4.6862796d-01 ------------ ------------ *** Large Component *** 1 3.8330539d-04 -1.4271161d-04 2 3.7455863d-03 -1.3985339d-03 3 2.1181719d-02 -7.9367930d-03 4 7.7548201d-02 -2.9175356d-02 5 1.9632325d-01 -7.3766097d-02 6 3.3099695d-01 -1.1741705d-01 7 3.6164888d-01 -1.0185080d-01 8 2.1619890d-01 5.8848258d-02 9 5.5365711d-02 2.8769804d-01 10 3.6516369d-03 3.8703339d-01 11 2.4926152d-04 3.2113547d-01 12 -4.9825733d-05 1.8735542d-01 13 1.7027961d-05 6.1977243d-02 *** Small Component *** 14 1.5745733d-04 -5.8584317d-05 15 9.6628982d-04 -3.6055379d-04 16 3.6863292d-03 -1.3804726d-03 17 9.4666420d-03 -3.5597704d-03 18 1.7205617d-02 -6.4622828d-03 19 2.1068416d-02 -7.4717773d-03 20 1.6793048d-02 -4.7299018d-03 21 7.3165077d-03 1.9867973d-03 22 1.3472270d-03 6.9956535d-03 23 6.2695084d-05 6.6327043d-03 24 2.8946820d-06 3.7704488d-03 25 -3.7299364d-07 1.4492108d-03 26 7.7660526d-08 2.9599238d-04 * Radial Moments Sym Orb S+ 1 6.67883d+04 1.49402d+02 1.16198d-02 1.92865d-04 4.16496d-06 1.10832d-07 2 1.17639d+04 3.87698d+01 4.78274d-02 2.78756d-03 1.86821d-04 1.41779d-05 3 2.83352d+03 1.39034d+01 1.25241d-01 1.81328d-02 2.89273d-03 5.03215d-04 4 7.96663d+02 5.94585d+00 2.69910d-01 8.24032d-02 2.72879d-02 9.70359d-03 5 2.16279d+02 2.67352d+00 5.50383d-01 3.38758d-01 2.25221d-01 1.60392d-01 6 4.33226d+01 1.10370d+00 1.22661d+00 1.68812d+00 2.54446d+00 4.18177d+00 7 2.70992d+00 3.08863d-01 4.03071d+00 1.86041d+01 9.69586d+01 5.66118d+02 P- 1 3.93918d+03 3.88082d+01 3.81053d-02 1.87157d-03 1.11716d-04 7.84873d-06 2 9.95829d+02 1.38226d+01 1.16937d-01 1.61124d-02 2.47461d-03 4.18792d-04 3 2.78655d+02 5.83960d+00 2.66738d-01 8.11517d-02 2.69108d-02 9.63091d-03 4 7.27861d+01 2.56096d+00 5.66436d-01 3.60515d-01 2.48966d-01 1.85178d-01 5 1.27827d+01 9.89963d-01 1.35310d+00 2.06562d+00 3.47444d+00 6.39638d+00 P+ 1 9.11344d+02 2.57004d+01 4.97611d-02 3.02283d-03 2.17221d-04 1.80497d-05 2 2.34956d+02 1.03502d+01 1.37683d-01 2.20906d-02 3.93085d-03 7.66763d-04 3 6.78906d+01 4.68356d+00 3.04935d-01 1.05701d-01 3.98807d-02 1.62145d-02 4 1.79341d+01 2.12596d+00 6.45922d-01 4.68535d-01 3.69125d-01 3.13596d-01 5 2.69954d+00 7.80941d-01 1.65609d+00 3.11795d+00 6.55918d+00 1.53814d+01 D- 1 1.32701d+02 1.02321d+01 1.18164d-01 1.64004d-02 2.62042d-03 4.74789d-04 2 3.71609d+01 4.50439d+00 2.98346d-01 1.02543d-01 3.88659d-02 1.60702d-02 3 8.80925d+00 1.90188d+00 7.05749d-01 5.66416d-01 5.01139d-01 4.86329d-01 D+ 1 1.13788d+02 9.61486d+00 1.24087d-01 1.79587d-02 2.97972d-03 5.59186d-04 2 3.19775d+01 4.28657d+00 3.09327d-01 1.09997d-01 4.31038d-02 1.84161d-02 3 7.53319d+00 1.81318d+00 7.33612d-01 6.11953d-01 5.63268d-01 5.69480d-01 F- 1 1.96599d+01 4.04311d+00 2.91367d-01 9.84136d-02 3.80370d-02 1.66432d-02 2 2.97581d+00 1.31291d+00 1.01477d+00 1.25947d+00 1.89348d+00 3.45175d+00 F+ 1 1.87842d+01 3.96159d+00 2.96584d-01 1.01812d-01 3.99555d-02 1.77410d-02 2 2.75159d+00 1.26509d+00 1.05756d+00 1.38201d+00 2.21694d+00 4.36976d+00