W [Xe]6s(2)4f(14)5d(4) 27s24/21p18/18d14/14f Nucleus Model : Gaussian Charge Distribution Nuclear Charge = 74.0 Atomic Mass = 184.0 Parameter Alpha = 1.481369E+08 Speed of Light = 137.0359895 S+ P- P+ D- D+ F- F+ Number of Closed Shells 6 4 4 2 2 1 1 Open Shells 0 0 0 1 1 0 0 Conf Weight Open Shell Occupation Numbers 1 0.00476190 0.0 0.0 0.0 4.0 0.0 0.0 0.0 2 0.11428571 0.0 0.0 0.0 3.0 1.0 0.0 0.0 3 0.42857143 0.0 0.0 0.0 2.0 2.0 0.0 0.0 4 0.38095238 0.0 0.0 0.0 1.0 3.0 0.0 0.0 5 0.07142857 0.0 0.0 0.0 0.0 4.0 0.0 0.0 ENERGIES Total Energy = -1.615618394245490E+04 Mass Energy = -1.615202911925045E+04 Kinetic Energy = 3.434182550925491E+04 Potential Energy = -3.434598033245935E+04 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ P- P+ D- D+ F- F+ 6.8452015125E+07 o 1.7910080659E+07 o o 5.2807211220E+06 o o 1.6664745706E+06 o o 5.6518931446E+05 o o o 2.0299904460E+05 o o o 7.6915483934E+04 o o o 3.0564405576E+04 o o o o o 1.2676485642E+04 o o o o o 5.4732559489E+03 o o o o o 2.4533961792E+03 o o o o o o o 1.1392741069E+03 o o o o o o o 5.4651771075E+02 o o o o o o o 2.7043637536E+02 o o o o o o o 1.3783278286E+02 o o o o o o o 7.1511343212E+01 o o o o o o o 3.7811154495E+01 o o o o o o o 2.0291556957E+01 o o o o o o o 1.0720630210E+01 o o o o o o o 5.5348795389E+00 o o o o o o o 2.7881958218E+00 o o o o o o o 1.3447283562E+00 o o o o o o o 6.1589210856E-01 o o o o o o o 2.5840866426E-01 o o o o o o o 9.5228996892E-02 o o o o o 3.8081673694E-02 o 1.1051938556E-02 o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 6.8452015125E+07 1.0000000000E+00 1.0000000000E+00 2 1.7910080659E+07 1.0000000000E+00 1.0000000000E+00 3 5.2807211220E+06 1.0000000000E+00 1.0000000000E+00 4 1.6664745706E+06 1.0000000000E+00 1.0000000000E+00 5 5.6518931446E+05 1.0000000000E+00 1.0000000000E+00 6 2.0299904460E+05 1.0000000000E+00 1.0000000000E+00 7 7.6915483934E+04 1.0000000000E+00 1.0000000000E+00 8 3.0564405576E+04 1.0000000000E+00 1.0000000000E+00 9 1.2676485642E+04 1.0000000000E+00 1.0000000000E+00 10 5.4732559489E+03 1.0000000000E+00 1.0000000000E+00 11 2.4533961792E+03 1.0000000000E+00 1.0000000000E+00 12 1.1392741069E+03 1.0000000000E+00 1.0000000000E+00 13 5.4651771075E+02 1.0000000000E+00 1.0000000000E+00 14 2.7043637536E+02 1.0000000000E+00 1.0000000000E+00 15 1.3783278286E+02 1.0000000000E+00 1.0000000000E+00 16 7.1511343212E+01 1.0000000000E+00 1.0000000000E+00 17 3.7811154495E+01 1.0000000000E+00 1.0000000000E+00 18 2.0291556957E+01 1.0000000000E+00 1.0000000000E+00 19 1.0720630210E+01 1.0000000000E+00 1.0000000000E+00 20 5.5348795389E+00 1.0000000000E+00 1.0000000000E+00 21 2.7881958218E+00 1.0000000000E+00 1.0000000000E+00 22 1.3447283562E+00 1.0000000000E+00 1.0000000000E+00 23 6.1589210856E-01 1.0000000000E+00 1.0000000000E+00 24 2.5840866426E-01 1.0000000000E+00 1.0000000000E+00 25 9.5228996892E-02 1.0000000000E+00 1.0000000000E+00 26 3.8081673694E-02 1.0000000000E+00 1.0000000000E+00 27 1.1051938556E-02 1.0000000000E+00 1.0000000000E+00 P- 1 1.7910080659E+07 1.0000000000E+00 1.0000000000E+00 2 5.2807211220E+06 1.0000000000E+00 1.0000000000E+00 3 1.6664745706E+06 1.0000000000E+00 1.0000000000E+00 4 5.6518931446E+05 1.0000000000E+00 1.0000000000E+00 5 2.0299904460E+05 1.0000000000E+00 1.0000000000E+00 6 7.6915483934E+04 1.0000000000E+00 1.0000000000E+00 7 3.0564405576E+04 1.0000000000E+00 1.0000000000E+00 8 1.2676485642E+04 1.0000000000E+00 1.0000000000E+00 9 5.4732559489E+03 1.0000000000E+00 1.0000000000E+00 10 2.4533961792E+03 1.0000000000E+00 1.0000000000E+00 11 1.1392741069E+03 1.0000000000E+00 1.0000000000E+00 12 5.4651771075E+02 1.0000000000E+00 1.0000000000E+00 13 2.7043637536E+02 1.0000000000E+00 1.0000000000E+00 14 1.3783278286E+02 1.0000000000E+00 1.0000000000E+00 15 7.1511343212E+01 1.0000000000E+00 1.0000000000E+00 16 3.7811154495E+01 1.0000000000E+00 1.0000000000E+00 17 2.0291556957E+01 1.0000000000E+00 1.0000000000E+00 18 1.0720630210E+01 1.0000000000E+00 1.0000000000E+00 19 5.5348795389E+00 1.0000000000E+00 1.0000000000E+00 20 2.7881958218E+00 1.0000000000E+00 1.0000000000E+00 21 1.3447283562E+00 1.0000000000E+00 1.0000000000E+00 22 6.1589210856E-01 1.0000000000E+00 1.0000000000E+00 23 2.5840866426E-01 1.0000000000E+00 1.0000000000E+00 24 9.5228996892E-02 1.0000000000E+00 1.0000000000E+00 P+ 1 5.6518931446E+05 1.0000000000E+00 1.0000000000E+00 2 2.0299904460E+05 1.0000000000E+00 1.0000000000E+00 3 7.6915483934E+04 1.0000000000E+00 1.0000000000E+00 4 3.0564405576E+04 1.0000000000E+00 1.0000000000E+00 5 1.2676485642E+04 1.0000000000E+00 1.0000000000E+00 6 5.4732559489E+03 1.0000000000E+00 1.0000000000E+00 7 2.4533961792E+03 1.0000000000E+00 1.0000000000E+00 8 1.1392741069E+03 1.0000000000E+00 1.0000000000E+00 9 5.4651771075E+02 1.0000000000E+00 1.0000000000E+00 10 2.7043637536E+02 1.0000000000E+00 1.0000000000E+00 11 1.3783278286E+02 1.0000000000E+00 1.0000000000E+00 12 7.1511343212E+01 1.0000000000E+00 1.0000000000E+00 13 3.7811154495E+01 1.0000000000E+00 1.0000000000E+00 14 2.0291556957E+01 1.0000000000E+00 1.0000000000E+00 15 1.0720630210E+01 1.0000000000E+00 1.0000000000E+00 16 5.5348795389E+00 1.0000000000E+00 1.0000000000E+00 17 2.7881958218E+00 1.0000000000E+00 1.0000000000E+00 18 1.3447283562E+00 1.0000000000E+00 1.0000000000E+00 19 6.1589210856E-01 1.0000000000E+00 1.0000000000E+00 20 2.5840866426E-01 1.0000000000E+00 1.0000000000E+00 21 9.5228996892E-02 1.0000000000E+00 1.0000000000E+00 D- 1 3.0564405576E+04 1.0000000000E+00 1.0000000000E+00 2 1.2676485642E+04 1.0000000000E+00 1.0000000000E+00 3 5.4732559489E+03 1.0000000000E+00 1.0000000000E+00 4 2.4533961792E+03 1.0000000000E+00 1.0000000000E+00 5 1.1392741069E+03 1.0000000000E+00 1.0000000000E+00 6 5.4651771075E+02 1.0000000000E+00 1.0000000000E+00 7 2.7043637536E+02 1.0000000000E+00 1.0000000000E+00 8 1.3783278286E+02 1.0000000000E+00 1.0000000000E+00 9 7.1511343212E+01 1.0000000000E+00 1.0000000000E+00 10 3.7811154495E+01 1.0000000000E+00 1.0000000000E+00 11 2.0291556957E+01 1.0000000000E+00 1.0000000000E+00 12 1.0720630210E+01 1.0000000000E+00 1.0000000000E+00 13 5.5348795389E+00 1.0000000000E+00 1.0000000000E+00 14 2.7881958218E+00 1.0000000000E+00 1.0000000000E+00 15 1.3447283562E+00 1.0000000000E+00 1.0000000000E+00 16 6.1589210856E-01 1.0000000000E+00 1.0000000000E+00 17 2.5840866426E-01 1.0000000000E+00 1.0000000000E+00 18 9.5228996892E-02 1.0000000000E+00 1.0000000000E+00 D+ 1 3.0564405576E+04 1.0000000000E+00 1.0000000000E+00 2 1.2676485642E+04 1.0000000000E+00 1.0000000000E+00 3 5.4732559489E+03 1.0000000000E+00 1.0000000000E+00 4 2.4533961792E+03 1.0000000000E+00 1.0000000000E+00 5 1.1392741069E+03 1.0000000000E+00 1.0000000000E+00 6 5.4651771075E+02 1.0000000000E+00 1.0000000000E+00 7 2.7043637536E+02 1.0000000000E+00 1.0000000000E+00 8 1.3783278286E+02 1.0000000000E+00 1.0000000000E+00 9 7.1511343212E+01 1.0000000000E+00 1.0000000000E+00 10 3.7811154495E+01 1.0000000000E+00 1.0000000000E+00 11 2.0291556957E+01 1.0000000000E+00 1.0000000000E+00 12 1.0720630210E+01 1.0000000000E+00 1.0000000000E+00 13 5.5348795389E+00 1.0000000000E+00 1.0000000000E+00 14 2.7881958218E+00 1.0000000000E+00 1.0000000000E+00 15 1.3447283562E+00 1.0000000000E+00 1.0000000000E+00 16 6.1589210856E-01 1.0000000000E+00 1.0000000000E+00 17 2.5840866426E-01 1.0000000000E+00 1.0000000000E+00 18 9.5228996892E-02 1.0000000000E+00 1.0000000000E+00 F- 1 2.4533961792E+03 1.0000000000E+00 1.0000000000E+00 2 1.1392741069E+03 1.0000000000E+00 1.0000000000E+00 3 5.4651771075E+02 1.0000000000E+00 1.0000000000E+00 4 2.7043637536E+02 1.0000000000E+00 1.0000000000E+00 5 1.3783278286E+02 1.0000000000E+00 1.0000000000E+00 6 7.1511343212E+01 1.0000000000E+00 1.0000000000E+00 7 3.7811154495E+01 1.0000000000E+00 1.0000000000E+00 8 2.0291556957E+01 1.0000000000E+00 1.0000000000E+00 9 1.0720630210E+01 1.0000000000E+00 1.0000000000E+00 10 5.5348795389E+00 1.0000000000E+00 1.0000000000E+00 11 2.7881958218E+00 1.0000000000E+00 1.0000000000E+00 12 1.3447283562E+00 1.0000000000E+00 1.0000000000E+00 13 6.1589210856E-01 1.0000000000E+00 1.0000000000E+00 14 2.5840866426E-01 1.0000000000E+00 1.0000000000E+00 F+ 1 2.4533961792E+03 1.0000000000E+00 1.0000000000E+00 2 1.1392741069E+03 1.0000000000E+00 1.0000000000E+00 3 5.4651771075E+02 1.0000000000E+00 1.0000000000E+00 4 2.7043637536E+02 1.0000000000E+00 1.0000000000E+00 5 1.3783278286E+02 1.0000000000E+00 1.0000000000E+00 6 7.1511343212E+01 1.0000000000E+00 1.0000000000E+00 7 3.7811154495E+01 1.0000000000E+00 1.0000000000E+00 8 2.0291556957E+01 1.0000000000E+00 1.0000000000E+00 9 1.0720630210E+01 1.0000000000E+00 1.0000000000E+00 10 5.5348795389E+00 1.0000000000E+00 1.0000000000E+00 11 2.7881958218E+00 1.0000000000E+00 1.0000000000E+00 12 1.3447283562E+00 1.0000000000E+00 1.0000000000E+00 13 6.1589210856E-01 1.0000000000E+00 1.0000000000E+00 14 2.5840866426E-01 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -2.5712940E+03 -4.4880773E+02 -1.0563319E+02 -2.2988784E+01 -3.4585161E+00 -2.6645711E-01 ------------ ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 1.2046469E-04 -4.5713992E-05 2.1702242E-05 1.0665189E-05 4.3512445E-06 1.2278731E-06 2 3.3094592E-04 -1.2599201E-04 5.9841388E-05 2.9408603E-05 1.1997217E-05 3.3849884E-06 3 8.0612329E-04 -3.0824953E-04 1.4651823E-04 7.2026874E-05 2.9388938E-05 8.2936950E-06 4 1.7856117E-03 -6.8755538E-04 3.2714554E-04 1.6083547E-04 6.5616101E-05 1.8512607E-05 5 3.9140135E-03 -1.5214269E-03 7.2506614E-04 3.5667717E-04 1.4556536E-04 4.1083957E-05 6 8.5503200E-03 -3.3647561E-03 1.6063978E-03 7.9032385E-04 3.2245407E-04 9.0965669E-05 7 1.8737429E-02 -7.4897539E-03 3.5853297E-03 1.7657789E-03 7.2092159E-04 2.0351691E-04 8 4.0877363E-02 -1.6681534E-02 8.0098430E-03 3.9454821E-03 1.6099564E-03 4.5408140E-04 9 8.6425354E-02 -3.6438299E-02 1.7598773E-02 8.6876790E-03 3.5496173E-03 1.0024734E-03 10 1.6795210E-01 -7.5029072E-02 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-3.4793880E-01 -4.4718097E-01 -1.4319147E-01 22 -5.7184174E-05 2.3047994E-04 6.8478334E-04 -4.3183121E-03 7.5984000E-01 3.0021504E-01 23 2.5869780E-05 -9.9981975E-05 -4.2649180E-04 -4.5739140E-03 6.8658012E-01 4.7681554E-01 24 -1.0814409E-05 4.2888528E-05 1.6651927E-04 1.4674967E-03 6.2058622E-02 -5.0487856E-02 25 4.5849399E-06 -1.8142161E-05 -7.3838098E-05 -6.4718967E-04 1.4922953E-03 -7.2315829E-01 26 -1.8637256E-06 7.3813120E-06 3.0229305E-05 2.6239455E-04 -6.9059284E-04 -4.2249984E-01 27 4.0255440E-07 -1.5949904E-06 -6.5562864E-06 -5.6785585E-05 1.8320401E-04 -8.4140637E-03 *** Small-Component *** 28 1.4985189E-04 -5.6737362E-05 2.6928223E-05 1.3235031E-05 5.4008983E-06 1.5245390E-06 29 5.9513909E-04 -2.2532882E-04 1.0692125E-04 5.2526541E-05 2.1423297E-05 6.0431077E-06 30 1.4056105E-03 -5.3251795E-04 2.5276217E-04 1.2423149E-04 5.0695104E-05 1.4309595E-05 31 2.9703094E-03 -1.1261063E-03 5.3445693E-04 2.6256076E-04 1.0708264E-04 3.0203953E-05 32 5.8194083E-03 -2.2100225E-03 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