Hg [Xe]6s(2)4f(14)5d(10) 27s24/21p18/18d14/14f Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 80.0 Atomic Mass = 202.0 Nuclear Radius = 1.335744E-04 Speed of Light = 137.0359895 S+ P- P+ D- D+ F- F+ Number of Closed Shells 6 4 4 3 3 1 1 Open Shells 0 0 0 0 0 0 0 ENERGIES Total Energy = -1.964884945586376E+04 Mass Energy = -1.964114066595513E+04 Kinetic Energy = 4.228489193613301E+04 Potential Energy = -4.229260072604166E+04 VIRIAL -[+(CORR )]/ = 1.00000001724746 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ P- P+ D- D+ F- F+ 4.7248026405E+07 o 1.2725171365E+07 o o 4.2394508262E+06 o o 1.4579757546E+06 o o 5.3204467075E+05 o o o 2.0199777026E+05 o o o 7.9925086996E+04 o o o 3.2811203807E+04 o o o o o 1.3961970541E+04 o o o o o 6.1513839177E+03 o o o o o 2.8018493763E+03 o o o o o o o 1.3184226134E+03 o o o o o o o 6.3938045630E+02 o o o o o o o 3.1966912137E+02 o o o o o o o 1.6452269489E+02 o o o o o o o 8.6266434624E+01 o o o o o o o 4.6142662749E+01 o o o o o o o 2.5036386504E+01 o o o o o o o 1.3425665315E+01 o o o o o o o 7.0954833835E+00 o o o o o o o 3.6940524183E+00 o o o o o o o 1.8517163420E+00 o o o o o o o 8.7600573164E-01 o o o o o o o 3.8375034912E-01 o o o o o o o 1.5031203227E-01 o o o o o 6.2440210813E-02 o 2.6982770910E-02 o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 4.7248026405E+07 1.0000000000E+00 1.0000000000E+00 2 1.2725171365E+07 1.0000000000E+00 1.0000000000E+00 3 4.2394508262E+06 1.0000000000E+00 1.0000000000E+00 4 1.4579757546E+06 1.0000000000E+00 1.0000000000E+00 5 5.3204467075E+05 1.0000000000E+00 1.0000000000E+00 6 2.0199777026E+05 1.0000000000E+00 1.0000000000E+00 7 7.9925086996E+04 1.0000000000E+00 1.0000000000E+00 8 3.2811203807E+04 1.0000000000E+00 1.0000000000E+00 9 1.3961970541E+04 1.0000000000E+00 1.0000000000E+00 10 6.1513839177E+03 1.0000000000E+00 1.0000000000E+00 11 2.8018493763E+03 1.0000000000E+00 1.0000000000E+00 12 1.3184226134E+03 1.0000000000E+00 1.0000000000E+00 13 6.3938045630E+02 1.0000000000E+00 1.0000000000E+00 14 3.1966912137E+02 1.0000000000E+00 1.0000000000E+00 15 1.6452269489E+02 1.0000000000E+00 1.0000000000E+00 16 8.6266434624E+01 1.0000000000E+00 1.0000000000E+00 17 4.6142662749E+01 1.0000000000E+00 1.0000000000E+00 18 2.5036386504E+01 1.0000000000E+00 1.0000000000E+00 19 1.3425665315E+01 1.0000000000E+00 1.0000000000E+00 20 7.0954833835E+00 1.0000000000E+00 1.0000000000E+00 21 3.6940524183E+00 1.0000000000E+00 1.0000000000E+00 22 1.8517163420E+00 1.0000000000E+00 1.0000000000E+00 23 8.7600573164E-01 1.0000000000E+00 1.0000000000E+00 24 3.8375034912E-01 1.0000000000E+00 1.0000000000E+00 25 1.5031203227E-01 1.0000000000E+00 1.0000000000E+00 26 6.2440210813E-02 1.0000000000E+00 1.0000000000E+00 27 2.6982770910E-02 1.0000000000E+00 1.0000000000E+00 P- 1 1.2725171365E+07 1.0000000000E+00 1.0000000000E+00 2 4.2394508262E+06 1.0000000000E+00 1.0000000000E+00 3 1.4579757546E+06 1.0000000000E+00 1.0000000000E+00 4 5.3204467075E+05 1.0000000000E+00 1.0000000000E+00 5 2.0199777026E+05 1.0000000000E+00 1.0000000000E+00 6 7.9925086996E+04 1.0000000000E+00 1.0000000000E+00 7 3.2811203807E+04 1.0000000000E+00 1.0000000000E+00 8 1.3961970541E+04 1.0000000000E+00 1.0000000000E+00 9 6.1513839177E+03 1.0000000000E+00 1.0000000000E+00 10 2.8018493763E+03 1.0000000000E+00 1.0000000000E+00 11 1.3184226134E+03 1.0000000000E+00 1.0000000000E+00 12 6.3938045630E+02 1.0000000000E+00 1.0000000000E+00 13 3.1966912137E+02 1.0000000000E+00 1.0000000000E+00 14 1.6452269489E+02 1.0000000000E+00 1.0000000000E+00 15 8.6266434624E+01 1.0000000000E+00 1.0000000000E+00 16 4.6142662749E+01 1.0000000000E+00 1.0000000000E+00 17 2.5036386504E+01 1.0000000000E+00 1.0000000000E+00 18 1.3425665315E+01 1.0000000000E+00 1.0000000000E+00 19 7.0954833835E+00 1.0000000000E+00 1.0000000000E+00 20 3.6940524183E+00 1.0000000000E+00 1.0000000000E+00 21 1.8517163420E+00 1.0000000000E+00 1.0000000000E+00 22 8.7600573164E-01 1.0000000000E+00 1.0000000000E+00 23 3.8375034912E-01 1.0000000000E+00 1.0000000000E+00 24 1.5031203227E-01 1.0000000000E+00 1.0000000000E+00 P+ 1 5.3204467075E+05 1.0000000000E+00 1.0000000000E+00 2 2.0199777026E+05 1.0000000000E+00 1.0000000000E+00 3 7.9925086996E+04 1.0000000000E+00 1.0000000000E+00 4 3.2811203807E+04 1.0000000000E+00 1.0000000000E+00 5 1.3961970541E+04 1.0000000000E+00 1.0000000000E+00 6 6.1513839177E+03 1.0000000000E+00 1.0000000000E+00 7 2.8018493763E+03 1.0000000000E+00 1.0000000000E+00 8 1.3184226134E+03 1.0000000000E+00 1.0000000000E+00 9 6.3938045630E+02 1.0000000000E+00 1.0000000000E+00 10 3.1966912137E+02 1.0000000000E+00 1.0000000000E+00 11 1.6452269489E+02 1.0000000000E+00 1.0000000000E+00 12 8.6266434624E+01 1.0000000000E+00 1.0000000000E+00 13 4.6142662749E+01 1.0000000000E+00 1.0000000000E+00 14 2.5036386504E+01 1.0000000000E+00 1.0000000000E+00 15 1.3425665315E+01 1.0000000000E+00 1.0000000000E+00 16 7.0954833835E+00 1.0000000000E+00 1.0000000000E+00 17 3.6940524183E+00 1.0000000000E+00 1.0000000000E+00 18 1.8517163420E+00 1.0000000000E+00 1.0000000000E+00 19 8.7600573164E-01 1.0000000000E+00 1.0000000000E+00 20 3.8375034912E-01 1.0000000000E+00 1.0000000000E+00 21 1.5031203227E-01 1.0000000000E+00 1.0000000000E+00 D- 1 3.2811203807E+04 1.0000000000E+00 1.0000000000E+00 2 1.3961970541E+04 1.0000000000E+00 1.0000000000E+00 3 6.1513839177E+03 1.0000000000E+00 1.0000000000E+00 4 2.8018493763E+03 1.0000000000E+00 1.0000000000E+00 5 1.3184226134E+03 1.0000000000E+00 1.0000000000E+00 6 6.3938045630E+02 1.0000000000E+00 1.0000000000E+00 7 3.1966912137E+02 1.0000000000E+00 1.0000000000E+00 8 1.6452269489E+02 1.0000000000E+00 1.0000000000E+00 9 8.6266434624E+01 1.0000000000E+00 1.0000000000E+00 10 4.6142662749E+01 1.0000000000E+00 1.0000000000E+00 11 2.5036386504E+01 1.0000000000E+00 1.0000000000E+00 12 1.3425665315E+01 1.0000000000E+00 1.0000000000E+00 13 7.0954833835E+00 1.0000000000E+00 1.0000000000E+00 14 3.6940524183E+00 1.0000000000E+00 1.0000000000E+00 15 1.8517163420E+00 1.0000000000E+00 1.0000000000E+00 16 8.7600573164E-01 1.0000000000E+00 1.0000000000E+00 17 3.8375034912E-01 1.0000000000E+00 1.0000000000E+00 18 1.5031203227E-01 1.0000000000E+00 1.0000000000E+00 D+ 1 3.2811203807E+04 1.0000000000E+00 1.0000000000E+00 2 1.3961970541E+04 1.0000000000E+00 1.0000000000E+00 3 6.1513839177E+03 1.0000000000E+00 1.0000000000E+00 4 2.8018493763E+03 1.0000000000E+00 1.0000000000E+00 5 1.3184226134E+03 1.0000000000E+00 1.0000000000E+00 6 6.3938045630E+02 1.0000000000E+00 1.0000000000E+00 7 3.1966912137E+02 1.0000000000E+00 1.0000000000E+00 8 1.6452269489E+02 1.0000000000E+00 1.0000000000E+00 9 8.6266434624E+01 1.0000000000E+00 1.0000000000E+00 10 4.6142662749E+01 1.0000000000E+00 1.0000000000E+00 11 2.5036386504E+01 1.0000000000E+00 1.0000000000E+00 12 1.3425665315E+01 1.0000000000E+00 1.0000000000E+00 13 7.0954833835E+00 1.0000000000E+00 1.0000000000E+00 14 3.6940524183E+00 1.0000000000E+00 1.0000000000E+00 15 1.8517163420E+00 1.0000000000E+00 1.0000000000E+00 16 8.7600573164E-01 1.0000000000E+00 1.0000000000E+00 17 3.8375034912E-01 1.0000000000E+00 1.0000000000E+00 18 1.5031203227E-01 1.0000000000E+00 1.0000000000E+00 F- 1 2.8018493763E+03 1.0000000000E+00 1.0000000000E+00 2 1.3184226134E+03 1.0000000000E+00 1.0000000000E+00 3 6.3938045630E+02 1.0000000000E+00 1.0000000000E+00 4 3.1966912137E+02 1.0000000000E+00 1.0000000000E+00 5 1.6452269489E+02 1.0000000000E+00 1.0000000000E+00 6 8.6266434624E+01 1.0000000000E+00 1.0000000000E+00 7 4.6142662749E+01 1.0000000000E+00 1.0000000000E+00 8 2.5036386504E+01 1.0000000000E+00 1.0000000000E+00 9 1.3425665315E+01 1.0000000000E+00 1.0000000000E+00 10 7.0954833835E+00 1.0000000000E+00 1.0000000000E+00 11 3.6940524183E+00 1.0000000000E+00 1.0000000000E+00 12 1.8517163420E+00 1.0000000000E+00 1.0000000000E+00 13 8.7600573164E-01 1.0000000000E+00 1.0000000000E+00 14 3.8375034912E-01 1.0000000000E+00 1.0000000000E+00 F+ 1 2.8018493763E+03 1.0000000000E+00 1.0000000000E+00 2 1.3184226134E+03 1.0000000000E+00 1.0000000000E+00 3 6.3938045630E+02 1.0000000000E+00 1.0000000000E+00 4 3.1966912137E+02 1.0000000000E+00 1.0000000000E+00 5 1.6452269489E+02 1.0000000000E+00 1.0000000000E+00 6 8.6266434624E+01 1.0000000000E+00 1.0000000000E+00 7 4.6142662749E+01 1.0000000000E+00 1.0000000000E+00 8 2.5036386504E+01 1.0000000000E+00 1.0000000000E+00 9 1.3425665315E+01 1.0000000000E+00 1.0000000000E+00 10 7.0954833835E+00 1.0000000000E+00 1.0000000000E+00 11 3.6940524183E+00 1.0000000000E+00 1.0000000000E+00 12 1.8517163420E+00 1.0000000000E+00 1.0000000000E+00 13 8.7600573164E-01 1.0000000000E+00 1.0000000000E+00 14 3.8375034912E-01 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -3.0742234E+03 -5.5025028E+02 -1.3311269E+02 -3.0647979E+01 -5.1028052E+00 -3.2791218E-01 ------------ ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 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2.9930464E-01 -1.7949841E-01 9.3127731E-02 -4.7498707E-02 -2.0825232E-02 -6.0481975E-03 13 1.7511016E-01 -8.1536213E-02 3.9503693E-02 -2.0098601E-02 -8.9893459E-03 -2.6554981E-03 14 3.1930573E-02 2.6198205E-01 -2.0464022E-01 1.1638000E-01 5.2961615E-02 1.5589694E-02 15 1.7425647E-03 5.4021600E-01 -5.3630606E-01 3.2141727E-01 1.4599914E-01 4.2553188E-02 16 -7.8332141E-04 3.1500799E-01 -3.5108877E-01 2.3465867E-01 1.1366795E-01 3.4101407E-02 17 6.6340693E-04 3.9991273E-02 5.4561085E-01 -5.3652945E-01 -2.8480011E-01 -8.6647584E-02 18 -5.6518402E-04 2.9689995E-03 7.1701827E-01 -9.6097696E-01 -5.2406064E-01 -1.5642334E-01 19 3.8660382E-04 -1.4451009E-03 1.6423189E-01 1.5558444E-01 1.1666010E-01 3.2357014E-02 20 -2.3756184E-04 7.1509888E-04 9.4236527E-03 9.8491714E-01 9.5134883E-01 3.2916751E-01 21 1.3782843E-04 -4.7294027E-04 -9.0155376E-04 3.5731764E-01 4.5756675E-01 1.5451916E-01 22 -7.0437574E-05 2.4692941E-04 6.9489465E-04 7.4308740E-03 -8.5172524E-01 -3.9016999E-01 23 3.2253796E-05 -1.0768289E-04 -4.6626946E-04 4.3091649E-03 -6.5521630E-01 -4.4139483E-01 24 -1.4010952E-05 4.8092255E-05 1.8632363E-04 -1.3056198E-03 -6.4670608E-02 6.1106819E-02 25 6.3436071E-06 -2.1712111E-05 -8.9000460E-05 6.3302138E-04 -1.7127025E-03 6.0664299E-01 26 -3.0216590E-06 1.0354121E-05 4.2731790E-05 -2.9933280E-04 6.7919200E-04 4.9166150E-01 27 8.8863493E-07 -3.0463765E-06 -1.2621021E-05 8.8164675E-05 -2.3916347E-04 5.8013068E-02 *** Small-Component *** 28 3.2434109E-04 -1.2624281E-04 6.0543715E-05 -3.0351624E-05 -1.3291505E-05 -3.8673542E-06 29 9.9524935E-04 -3.8739184E-04 1.8575881E-04 -9.3090033E-05 -4.0743058E-05 -1.1849856E-05 30 2.0160648E-03 -7.8539109E-04 3.7672587E-04 -1.8888074E-04 -8.2724687E-05 -2.4072096E-05 31 4.0575669E-03 -1.5820186E-03 7.5878738E-04 -3.8025250E-04 -1.6641089E-04 -4.8395681E-05 32 7.4909746E-03 -2.9264464E-03 1.4044322E-03 -7.0427444E-04 -3.0849190E-04 -8.9775103E-05 33 1.3498969E-02 -5.2905151E-03 2.5397146E-03 -1.2729145E-03 -5.5703297E-04 -1.6198374E-04 34 2.3190358E-02 -9.1510427E-03 4.3996754E-03 -2.2074604E-03 -9.6717059E-04 -2.8149411E-04 35 3.8120737E-02 -1.5242662E-02 7.3432785E-03 -3.6832858E-03 -1.6118648E-03 -4.6867713E-04 36 5.8334867E-02 -2.3975924E-02 1.1614008E-02 -5.8388923E-03 -2.5600849E-03 -7.4531985E-04 37 7.9975281E-02 -3.4708259E-02 1.6974322E-02 -8.5435701E-03 -3.7405790E-03 -1.0874517E-03 38 9.0249757E-02 -4.3497688E-02 2.1724636E-02 -1.1011052E-02 -4.8408607E-03 -1.4106540E-03 39 7.1505890E-02 -4.0410471E-02 2.0833160E-02 -1.0610407E-02 -4.6502744E-03 -1.3504507E-03 40 2.9815132E-02 -1.3651368E-02 6.7415715E-03 -3.4464327E-03 -1.5411831E-03 -4.5484744E-04 41 3.8973401E-03 2.9074503E-02 -2.2421995E-02 1.2718384E-02 5.7855198E-03 1.7031360E-03 42 1.4604708E-04 4.3981270E-02 -4.3216741E-02 2.5851514E-02 1.1737209E-02 3.4206122E-03 43 -4.5517809E-05 1.8686098E-02 -2.0742842E-02 1.3865579E-02 6.7148217E-03 2.0141907E-03 44 2.7724558E-05 1.7412111E-03 2.3358107E-02 -2.2905519E-02 -1.2152132E-02 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