Pt [Xe]6s(1)4f(14)5d(9) 27s24/21p18/18d14/14f Nucleus Model : Gaussian Charge Distribution Nuclear Charge = 78.0 Atomic Mass = 195.0 Parameter Alpha = 1.430988E+08 Speed of Light = 137.0359895 S+ P- P+ D- D+ F- F+ Number of Closed Shells 5 4 4 2 2 1 1 Open Shells 1 0 0 1 1 0 0 Conf Weight Open Shell Occupation Numbers 1 0.60000000 1.0 0.0 0.0 4.0 5.0 0.0 0.0 2 0.40000000 1.0 0.0 0.0 3.0 6.0 0.0 0.0 ENERGIES Total Energy = -1.843491551829803E+04 Mass Energy = -1.842869120088709E+04 Kinetic Energy = 3.950113607501406E+04 Potential Energy = -3.950736039242500E+04 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ P- P+ D- D+ F- F+ 7.1619067572E+07 o 1.9809352934E+07 o o 6.0033842299E+06 o o 1.9231785708E+06 o o 6.5772978372E+05 o o o 2.3747145153E+05 o o o 9.0143132829E+04 o o o 3.5808169424E+04 o o o o o 1.4833600740E+04 o o o o o 6.3881651085E+03 o o o o o 2.8539267304E+03 o o o o o o o 1.3208076695E+03 o o o o o o o 6.3155736641E+02 o o o o o o o 3.1164411657E+02 o o o o o o o 1.5850055217E+02 o o o o o o o 8.2169524095E+01 o o o o o o o 4.3467246317E+01 o o o o o o o 2.3343117379E+01 o o o o o o o 1.2369081656E+01 o o o o o o o 6.4367206067E+00 o o o o o o o 3.2863170610E+00 o o o o o o o 1.6072040102E+00 o o o o o o o 7.3886718702E-01 o o o o o o o 3.1053125462E-01 o o o o o o o 1.1554404416E-01 o o o o o 4.7280844891E-02 o 1.8895205493E-02 o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 7.1619067572E+07 1.0000000000E+00 1.0000000000E+00 2 1.9809352934E+07 1.0000000000E+00 1.0000000000E+00 3 6.0033842299E+06 1.0000000000E+00 1.0000000000E+00 4 1.9231785708E+06 1.0000000000E+00 1.0000000000E+00 5 6.5772978372E+05 1.0000000000E+00 1.0000000000E+00 6 2.3747145153E+05 1.0000000000E+00 1.0000000000E+00 7 9.0143132829E+04 1.0000000000E+00 1.0000000000E+00 8 3.5808169424E+04 1.0000000000E+00 1.0000000000E+00 9 1.4833600740E+04 1.0000000000E+00 1.0000000000E+00 10 6.3881651085E+03 1.0000000000E+00 1.0000000000E+00 11 2.8539267304E+03 1.0000000000E+00 1.0000000000E+00 12 1.3208076695E+03 1.0000000000E+00 1.0000000000E+00 13 6.3155736641E+02 1.0000000000E+00 1.0000000000E+00 14 3.1164411657E+02 1.0000000000E+00 1.0000000000E+00 15 1.5850055217E+02 1.0000000000E+00 1.0000000000E+00 16 8.2169524095E+01 1.0000000000E+00 1.0000000000E+00 17 4.3467246317E+01 1.0000000000E+00 1.0000000000E+00 18 2.3343117379E+01 1.0000000000E+00 1.0000000000E+00 19 1.2369081656E+01 1.0000000000E+00 1.0000000000E+00 20 6.4367206067E+00 1.0000000000E+00 1.0000000000E+00 21 3.2863170610E+00 1.0000000000E+00 1.0000000000E+00 22 1.6072040102E+00 1.0000000000E+00 1.0000000000E+00 23 7.3886718702E-01 1.0000000000E+00 1.0000000000E+00 24 3.1053125462E-01 1.0000000000E+00 1.0000000000E+00 25 1.1554404416E-01 1.0000000000E+00 1.0000000000E+00 26 4.7280844891E-02 1.0000000000E+00 1.0000000000E+00 27 1.8895205493E-02 1.0000000000E+00 1.0000000000E+00 P- 1 1.9809352934E+07 1.0000000000E+00 1.0000000000E+00 2 6.0033842299E+06 1.0000000000E+00 1.0000000000E+00 3 1.9231785708E+06 1.0000000000E+00 1.0000000000E+00 4 6.5772978372E+05 1.0000000000E+00 1.0000000000E+00 5 2.3747145153E+05 1.0000000000E+00 1.0000000000E+00 6 9.0143132829E+04 1.0000000000E+00 1.0000000000E+00 7 3.5808169424E+04 1.0000000000E+00 1.0000000000E+00 8 1.4833600740E+04 1.0000000000E+00 1.0000000000E+00 9 6.3881651085E+03 1.0000000000E+00 1.0000000000E+00 10 2.8539267304E+03 1.0000000000E+00 1.0000000000E+00 11 1.3208076695E+03 1.0000000000E+00 1.0000000000E+00 12 6.3155736641E+02 1.0000000000E+00 1.0000000000E+00 13 3.1164411657E+02 1.0000000000E+00 1.0000000000E+00 14 1.5850055217E+02 1.0000000000E+00 1.0000000000E+00 15 8.2169524095E+01 1.0000000000E+00 1.0000000000E+00 16 4.3467246317E+01 1.0000000000E+00 1.0000000000E+00 17 2.3343117379E+01 1.0000000000E+00 1.0000000000E+00 18 1.2369081656E+01 1.0000000000E+00 1.0000000000E+00 19 6.4367206067E+00 1.0000000000E+00 1.0000000000E+00 20 3.2863170610E+00 1.0000000000E+00 1.0000000000E+00 21 1.6072040102E+00 1.0000000000E+00 1.0000000000E+00 22 7.3886718702E-01 1.0000000000E+00 1.0000000000E+00 23 3.1053125462E-01 1.0000000000E+00 1.0000000000E+00 24 1.1554404416E-01 1.0000000000E+00 1.0000000000E+00 P+ 1 6.5772978372E+05 1.0000000000E+00 1.0000000000E+00 2 2.3747145153E+05 1.0000000000E+00 1.0000000000E+00 3 9.0143132829E+04 1.0000000000E+00 1.0000000000E+00 4 3.5808169424E+04 1.0000000000E+00 1.0000000000E+00 5 1.4833600740E+04 1.0000000000E+00 1.0000000000E+00 6 6.3881651085E+03 1.0000000000E+00 1.0000000000E+00 7 2.8539267304E+03 1.0000000000E+00 1.0000000000E+00 8 1.3208076695E+03 1.0000000000E+00 1.0000000000E+00 9 6.3155736641E+02 1.0000000000E+00 1.0000000000E+00 10 3.1164411657E+02 1.0000000000E+00 1.0000000000E+00 11 1.5850055217E+02 1.0000000000E+00 1.0000000000E+00 12 8.2169524095E+01 1.0000000000E+00 1.0000000000E+00 13 4.3467246317E+01 1.0000000000E+00 1.0000000000E+00 14 2.3343117379E+01 1.0000000000E+00 1.0000000000E+00 15 1.2369081656E+01 1.0000000000E+00 1.0000000000E+00 16 6.4367206067E+00 1.0000000000E+00 1.0000000000E+00 17 3.2863170610E+00 1.0000000000E+00 1.0000000000E+00 18 1.6072040102E+00 1.0000000000E+00 1.0000000000E+00 19 7.3886718702E-01 1.0000000000E+00 1.0000000000E+00 20 3.1053125462E-01 1.0000000000E+00 1.0000000000E+00 21 1.1554404416E-01 1.0000000000E+00 1.0000000000E+00 D- 1 3.5808169424E+04 1.0000000000E+00 1.0000000000E+00 2 1.4833600740E+04 1.0000000000E+00 1.0000000000E+00 3 6.3881651085E+03 1.0000000000E+00 1.0000000000E+00 4 2.8539267304E+03 1.0000000000E+00 1.0000000000E+00 5 1.3208076695E+03 1.0000000000E+00 1.0000000000E+00 6 6.3155736641E+02 1.0000000000E+00 1.0000000000E+00 7 3.1164411657E+02 1.0000000000E+00 1.0000000000E+00 8 1.5850055217E+02 1.0000000000E+00 1.0000000000E+00 9 8.2169524095E+01 1.0000000000E+00 1.0000000000E+00 10 4.3467246317E+01 1.0000000000E+00 1.0000000000E+00 11 2.3343117379E+01 1.0000000000E+00 1.0000000000E+00 12 1.2369081656E+01 1.0000000000E+00 1.0000000000E+00 13 6.4367206067E+00 1.0000000000E+00 1.0000000000E+00 14 3.2863170610E+00 1.0000000000E+00 1.0000000000E+00 15 1.6072040102E+00 1.0000000000E+00 1.0000000000E+00 16 7.3886718702E-01 1.0000000000E+00 1.0000000000E+00 17 3.1053125462E-01 1.0000000000E+00 1.0000000000E+00 18 1.1554404416E-01 1.0000000000E+00 1.0000000000E+00 D+ 1 3.5808169424E+04 1.0000000000E+00 1.0000000000E+00 2 1.4833600740E+04 1.0000000000E+00 1.0000000000E+00 3 6.3881651085E+03 1.0000000000E+00 1.0000000000E+00 4 2.8539267304E+03 1.0000000000E+00 1.0000000000E+00 5 1.3208076695E+03 1.0000000000E+00 1.0000000000E+00 6 6.3155736641E+02 1.0000000000E+00 1.0000000000E+00 7 3.1164411657E+02 1.0000000000E+00 1.0000000000E+00 8 1.5850055217E+02 1.0000000000E+00 1.0000000000E+00 9 8.2169524095E+01 1.0000000000E+00 1.0000000000E+00 10 4.3467246317E+01 1.0000000000E+00 1.0000000000E+00 11 2.3343117379E+01 1.0000000000E+00 1.0000000000E+00 12 1.2369081656E+01 1.0000000000E+00 1.0000000000E+00 13 6.4367206067E+00 1.0000000000E+00 1.0000000000E+00 14 3.2863170610E+00 1.0000000000E+00 1.0000000000E+00 15 1.6072040102E+00 1.0000000000E+00 1.0000000000E+00 16 7.3886718702E-01 1.0000000000E+00 1.0000000000E+00 17 3.1053125462E-01 1.0000000000E+00 1.0000000000E+00 18 1.1554404416E-01 1.0000000000E+00 1.0000000000E+00 F- 1 2.8539267304E+03 1.0000000000E+00 1.0000000000E+00 2 1.3208076695E+03 1.0000000000E+00 1.0000000000E+00 3 6.3155736641E+02 1.0000000000E+00 1.0000000000E+00 4 3.1164411657E+02 1.0000000000E+00 1.0000000000E+00 5 1.5850055217E+02 1.0000000000E+00 1.0000000000E+00 6 8.2169524095E+01 1.0000000000E+00 1.0000000000E+00 7 4.3467246317E+01 1.0000000000E+00 1.0000000000E+00 8 2.3343117379E+01 1.0000000000E+00 1.0000000000E+00 9 1.2369081656E+01 1.0000000000E+00 1.0000000000E+00 10 6.4367206067E+00 1.0000000000E+00 1.0000000000E+00 11 3.2863170610E+00 1.0000000000E+00 1.0000000000E+00 12 1.6072040102E+00 1.0000000000E+00 1.0000000000E+00 13 7.3886718702E-01 1.0000000000E+00 1.0000000000E+00 14 3.1053125462E-01 1.0000000000E+00 1.0000000000E+00 F+ 1 2.8539267304E+03 1.0000000000E+00 1.0000000000E+00 2 1.3208076695E+03 1.0000000000E+00 1.0000000000E+00 3 6.3155736641E+02 1.0000000000E+00 1.0000000000E+00 4 3.1164411657E+02 1.0000000000E+00 1.0000000000E+00 5 1.5850055217E+02 1.0000000000E+00 1.0000000000E+00 6 8.2169524095E+01 1.0000000000E+00 1.0000000000E+00 7 4.3467246317E+01 1.0000000000E+00 1.0000000000E+00 8 2.3343117379E+01 1.0000000000E+00 1.0000000000E+00 9 1.2369081656E+01 1.0000000000E+00 1.0000000000E+00 10 6.4367206067E+00 1.0000000000E+00 1.0000000000E+00 11 3.2863170610E+00 1.0000000000E+00 1.0000000000E+00 12 1.6072040102E+00 1.0000000000E+00 1.0000000000E+00 13 7.3886718702E-01 1.0000000000E+00 1.0000000000E+00 14 3.1053125462E-01 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -2.8998629E+03 -5.1468797E+02 -1.2333352E+02 -2.7812608E+01 -4.4079986E+00 -2.8397492E-01 ------------ ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 1.4022905E-04 -5.4193691E-05 2.5911935E-05 -1.2903907E-05 -5.5124908E-06 -1.5109145E-06 2 3.8084145E-04 -1.4765843E-04 7.0634922E-05 -3.5176534E-05 -1.5025341E-05 -4.1177913E-06 3 9.1875515E-04 -3.5778827E-04 1.7128459E-04 -8.5325803E-05 -3.6454923E-05 -9.9923500E-06 4 1.9945566E-03 -7.8223305E-04 3.7488022E-04 -1.8676888E-04 -7.9780877E-05 -2.1863919E-05 5 4.2738852E-03 -1.6924922E-03 8.1244522E-04 -4.0500516E-04 -1.7307787E-04 -4.7445393E-05 6 9.0941395E-03 -3.6479094E-03 1.7544687E-03 -8.7477614E-04 -3.7370070E-04 -1.0240537E-04 7 1.9452554E-02 -7.9317899E-03 3.8254467E-03 -1.9093506E-03 -8.1632558E-04 -2.2381975E-04 8 4.1437070E-02 -1.7260342E-02 8.3515675E-03 -4.1695373E-03 -1.7813826E-03 -4.8808316E-04 9 8.5942061E-02 -3.6971090E-02 1.7992374E-02 -9.0017351E-03 -3.8519342E-03 -1.0564980E-03 10 1.6513782E-01 -7.5067151E-02 3.6871016E-02 -1.8470063E-02 -7.8940700E-03 -2.1623490E-03 11 2.6797638E-01 -1.3499418E-01 6.7616219E-02 -3.4086667E-02 -1.4623514E-02 -4.0147613E-03 12 3.1033473E-01 -1.8379540E-01 9.4907929E-02 -4.8074037E-02 -2.0564054E-02 -5.6261393E-03 13 1.9071289E-01 -1.0120244E-01 5.1247118E-02 -2.6144499E-02 -1.1386143E-02 -3.1607769E-03 14 3.6755130E-02 2.4100582E-01 -1.8561976E-01 1.0447764E-01 4.6362699E-02 1.2864784E-02 15 1.7990212E-03 5.4896957E-01 -5.3602067E-01 3.1763983E-01 1.4045966E-01 3.8518029E-02 16 -7.2330095E-04 3.3088888E-01 -3.7629012E-01 2.4929080E-01 1.1739511E-01 3.3146922E-02 17 6.2692948E-04 4.1722759E-02 5.4187842E-01 -5.2362827E-01 -2.6987276E-01 -7.7263586E-02 18 -5.3877516E-04 3.1998926E-03 7.2859942E-01 -9.7018203E-01 -5.1376035E-01 -1.4378804E-01 19 3.6323073E-04 -1.5960152E-03 1.5966653E-01 1.7993592E-01 1.2919760E-01 3.3818043E-02 20 -2.1764096E-04 7.9134898E-04 8.9468681E-03 9.8953658E-01 9.2596962E-01 2.9907657E-01 21 1.2304359E-04 -5.0249330E-04 -1.0338866E-03 3.3306994E-01 4.0956394E-01 1.2713735E-01 22 -6.1329357E-05 2.5577886E-04 7.4104730E-04 3.8805864E-03 -8.6568909E-01 -3.6386139E-01 23 2.7381744E-05 -1.0963638E-04 -4.6389248E-04 4.1212469E-03 -6.2031366E-01 -3.9849034E-01 24 -1.1617808E-05 4.7617060E-05 1.8401658E-04 -1.2517760E-03 -5.0137404E-02 6.6113538E-02 25 5.3048093E-06 -2.1725556E-05 -8.7468556E-05 5.9324291E-04 -2.9812021E-03 6.3382512E-01 26 -2.5463548E-06 1.0414666E-05 4.2713531E-05 -2.9028006E-04 8.9455983E-04 4.6815639E-01 27 7.1944385E-07 -2.9487611E-06 -1.2017151E-05 8.0387823E-05 -3.7917244E-04 3.1564673E-02 *** Small-Component *** 28 1.6010841E-04 -6.1737714E-05 2.9510853E-05 -1.4698055E-05 -6.2810179E-06 -1.7220323E-06 29 6.5403847E-04 -2.5217678E-04 1.2051697E-04 -5.9995798E-05 -2.5619010E-05 -7.0196224E-06 30 1.5466057E-03 -5.9671852E-04 2.8525675E-04 -1.4207161E-04 -6.0708953E-05 -1.6643433E-05 31 3.2469220E-03 -1.2536577E-03 5.9926246E-04 -2.9833184E-04 -1.2738655E-04 -3.4902572E-05 32 6.3002578E-03 -2.4367464E-03 1.1653762E-03 -5.8050417E-04 -2.4808477E-04 -6.8017822E-05 33 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