Pd [Kr]4d(10) 22s21/18p14/14d Nucleus Model : Gaussian Charge Distribution Nuclear Charge = 46.0 Atomic Mass = 106.0 Parameter Alpha = 2.050094E+08 Speed of Light = 137.0359895 S+ P- P+ D- D+ Number of Closed Shells 4 3 3 2 2 Open Shells 0 0 0 0 0 ENERGIES Total Energy = -5.044400357594164E+03 Mass Energy = -5.044219237011030E+03 Kinetic Energy = 1.031385047273770E+04 Potential Energy = -1.031403159332084E+04 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ P- P+ D- D+ 5.4993191629E+07 o 1.0442960584E+07 o o 2.5455035166E+06 o o 7.1348337320E+05 o o 2.2325886585E+05 o o o 7.6266194199E+04 o o o 2.8051985110E+04 o o o 1.0975165129E+04 o o o 4.5158799551E+03 o o o 1.9350388055E+03 o o o o o 8.5916558846E+02 o o o o o 3.9484063281E+02 o o o o o 1.8694821945E+02 o o o o o 9.0925468581E+01 o o o o o 4.5392596653E+01 o o o o o 2.2868456805E+01 o o o o o 1.1533305410E+01 o o o o o 5.8639142174E+00 o o o o o 2.8991317963E+00 o o o o o 1.3938911870E+00 o o o o o 6.3089304690E-01 o o o o o 2.5861084585E-01 o o o o o 9.3890252332E-02 o o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 5.4993191629E+07 1.0000000000E+00 1.0000000000E+00 2 1.0442960584E+07 1.0000000000E+00 1.0000000000E+00 3 2.5455035166E+06 1.0000000000E+00 1.0000000000E+00 4 7.1348337320E+05 1.0000000000E+00 1.0000000000E+00 5 2.2325886585E+05 1.0000000000E+00 1.0000000000E+00 6 7.6266194199E+04 1.0000000000E+00 1.0000000000E+00 7 2.8051985110E+04 1.0000000000E+00 1.0000000000E+00 8 1.0975165129E+04 1.0000000000E+00 1.0000000000E+00 9 4.5158799551E+03 1.0000000000E+00 1.0000000000E+00 10 1.9350388055E+03 1.0000000000E+00 1.0000000000E+00 11 8.5916558846E+02 1.0000000000E+00 1.0000000000E+00 12 3.9484063281E+02 1.0000000000E+00 1.0000000000E+00 13 1.8694821945E+02 1.0000000000E+00 1.0000000000E+00 14 9.0925468581E+01 1.0000000000E+00 1.0000000000E+00 15 4.5392596653E+01 1.0000000000E+00 1.0000000000E+00 16 2.2868456805E+01 1.0000000000E+00 1.0000000000E+00 17 1.1533305410E+01 1.0000000000E+00 1.0000000000E+00 18 5.8639142174E+00 1.0000000000E+00 1.0000000000E+00 19 2.8991317963E+00 1.0000000000E+00 1.0000000000E+00 20 1.3938911870E+00 1.0000000000E+00 1.0000000000E+00 21 6.3089304690E-01 1.0000000000E+00 1.0000000000E+00 22 2.5861084585E-01 1.0000000000E+00 1.0000000000E+00 P- 1 1.0442960584E+07 1.0000000000E+00 1.0000000000E+00 2 2.5455035166E+06 1.0000000000E+00 1.0000000000E+00 3 7.1348337320E+05 1.0000000000E+00 1.0000000000E+00 4 2.2325886585E+05 1.0000000000E+00 1.0000000000E+00 5 7.6266194199E+04 1.0000000000E+00 1.0000000000E+00 6 2.8051985110E+04 1.0000000000E+00 1.0000000000E+00 7 1.0975165129E+04 1.0000000000E+00 1.0000000000E+00 8 4.5158799551E+03 1.0000000000E+00 1.0000000000E+00 9 1.9350388055E+03 1.0000000000E+00 1.0000000000E+00 10 8.5916558846E+02 1.0000000000E+00 1.0000000000E+00 11 3.9484063281E+02 1.0000000000E+00 1.0000000000E+00 12 1.8694821945E+02 1.0000000000E+00 1.0000000000E+00 13 9.0925468581E+01 1.0000000000E+00 1.0000000000E+00 14 4.5392596653E+01 1.0000000000E+00 1.0000000000E+00 15 2.2868456805E+01 1.0000000000E+00 1.0000000000E+00 16 1.1533305410E+01 1.0000000000E+00 1.0000000000E+00 17 5.8639142174E+00 1.0000000000E+00 1.0000000000E+00 18 2.8991317963E+00 1.0000000000E+00 1.0000000000E+00 19 1.3938911870E+00 1.0000000000E+00 1.0000000000E+00 20 6.3089304690E-01 1.0000000000E+00 1.0000000000E+00 21 2.5861084585E-01 1.0000000000E+00 1.0000000000E+00 P+ 1 2.2325886585E+05 1.0000000000E+00 1.0000000000E+00 2 7.6266194199E+04 1.0000000000E+00 1.0000000000E+00 3 2.8051985110E+04 1.0000000000E+00 1.0000000000E+00 4 1.0975165129E+04 1.0000000000E+00 1.0000000000E+00 5 4.5158799551E+03 1.0000000000E+00 1.0000000000E+00 6 1.9350388055E+03 1.0000000000E+00 1.0000000000E+00 7 8.5916558846E+02 1.0000000000E+00 1.0000000000E+00 8 3.9484063281E+02 1.0000000000E+00 1.0000000000E+00 9 1.8694821945E+02 1.0000000000E+00 1.0000000000E+00 10 9.0925468581E+01 1.0000000000E+00 1.0000000000E+00 11 4.5392596653E+01 1.0000000000E+00 1.0000000000E+00 12 2.2868456805E+01 1.0000000000E+00 1.0000000000E+00 13 1.1533305410E+01 1.0000000000E+00 1.0000000000E+00 14 5.8639142174E+00 1.0000000000E+00 1.0000000000E+00 15 2.8991317963E+00 1.0000000000E+00 1.0000000000E+00 16 1.3938911870E+00 1.0000000000E+00 1.0000000000E+00 17 6.3089304690E-01 1.0000000000E+00 1.0000000000E+00 18 2.5861084585E-01 1.0000000000E+00 1.0000000000E+00 D- 1 1.9350388055E+03 1.0000000000E+00 1.0000000000E+00 2 8.5916558846E+02 1.0000000000E+00 1.0000000000E+00 3 3.9484063281E+02 1.0000000000E+00 1.0000000000E+00 4 1.8694821945E+02 1.0000000000E+00 1.0000000000E+00 5 9.0925468581E+01 1.0000000000E+00 1.0000000000E+00 6 4.5392596653E+01 1.0000000000E+00 1.0000000000E+00 7 2.2868456805E+01 1.0000000000E+00 1.0000000000E+00 8 1.1533305410E+01 1.0000000000E+00 1.0000000000E+00 9 5.8639142174E+00 1.0000000000E+00 1.0000000000E+00 10 2.8991317963E+00 1.0000000000E+00 1.0000000000E+00 11 1.3938911870E+00 1.0000000000E+00 1.0000000000E+00 12 6.3089304690E-01 1.0000000000E+00 1.0000000000E+00 13 2.5861084585E-01 1.0000000000E+00 1.0000000000E+00 14 9.3890252332E-02 1.0000000000E+00 1.0000000000E+00 D+ 1 1.9350388055E+03 1.0000000000E+00 1.0000000000E+00 2 8.5916558846E+02 1.0000000000E+00 1.0000000000E+00 3 3.9484063281E+02 1.0000000000E+00 1.0000000000E+00 4 1.8694821945E+02 1.0000000000E+00 1.0000000000E+00 5 9.0925468581E+01 1.0000000000E+00 1.0000000000E+00 6 4.5392596653E+01 1.0000000000E+00 1.0000000000E+00 7 2.2868456805E+01 1.0000000000E+00 1.0000000000E+00 8 1.1533305410E+01 1.0000000000E+00 1.0000000000E+00 9 5.8639142174E+00 1.0000000000E+00 1.0000000000E+00 10 2.8991317963E+00 1.0000000000E+00 1.0000000000E+00 11 1.3938911870E+00 1.0000000000E+00 1.0000000000E+00 12 6.3089304690E-01 1.0000000000E+00 1.0000000000E+00 13 2.5861084585E-01 1.0000000000E+00 1.0000000000E+00 14 9.3890252332E-02 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ -9.0009766E+02 -1.3444786E+02 -2.5542414E+01 -3.8419586E+00 ------------ ------------ ------------ ------------ *** Large-Component *** 1 2.5313811E-05 -8.5604125E-06 -3.7062162E-06 1.5265290E-06 2 8.1763743E-05 -2.7716499E-05 -1.2003151E-05 4.9446216E-06 3 2.3308604E-04 -7.9281144E-05 -3.4353325E-05 1.4151215E-05 4 6.3294081E-04 -2.1627629E-04 -9.3762793E-05 3.8635426E-05 5 1.7085935E-03 -5.8708302E-04 -2.5476133E-04 1.0496447E-04 6 4.5908764E-03 -1.5875309E-03 -6.8933781E-04 2.8416429E-04 7 1.2164347E-02 -4.2443322E-03 -1.8459172E-03 7.6076312E-04 8 3.1249446E-02 -1.1069460E-02 -4.8225602E-03 1.9895778E-03 9 7.5831647E-02 -2.7715972E-02 -1.2136007E-02 5.0073475E-03 10 1.6515649E-01 -6.4453231E-02 -2.8473925E-02 1.1781555E-02 11 2.9083404E-01 -1.3025813E-01 -5.8805765E-02 2.4399516E-02 12 3.4166118E-01 -1.9741658E-01 -9.2709009E-02 3.8854167E-02 13 1.9149618E-01 -1.3377506E-01 -6.6965453E-02 2.8265799E-02 14 2.7566415E-02 2.2482181E-01 1.4245553E-01 -6.2821787E-02 15 1.9028886E-03 5.7747046E-01 4.8921748E-01 -2.3164857E-01 16 -9.7392793E-04 3.4213161E-01 3.8060784E-01 -1.9035080E-01 17 6.8871523E-04 4.0828311E-02 -4.3449248E-01 2.6460971E-01 18 -5.1166680E-04 3.5789921E-03 -7.6592291E-01 7.7916960E-01 19 2.8045669E-04 -1.1579753E-03 -1.8359470E-01 7.7118286E-02 20 -1.3068453E-04 4.4631926E-04 -4.0802541E-03 -8.4199109E-01 21 4.9801342E-05 -2.3883937E-04 -1.6854658E-03 -4.7987177E-01 22 -1.1105148E-05 4.6593693E-05 1.5794861E-05 -3.6382737E-02 *** Small-Component *** 23 5.7068805E-05 -1.9266135E-05 -8.3398821E-06 3.4345173E-06 24 2.1528799E-04 -7.2680698E-05 -3.1455586E-05 1.2957807E-05 25 5.4745983E-04 -1.8488276E-04 -8.0037438E-05 3.2960035E-05 26 1.2588666E-03 -4.2529357E-04 -1.8407466E-04 7.5833647E-05 27 2.6731039E-03 -9.0422207E-04 -3.9155555E-04 1.6124241E-04 28 5.3472758E-03 -1.8132698E-03 -7.8519544E-04 3.2353688E-04 29 1.0109048E-02 -3.4495410E-03 -1.4957270E-03 6.1603540E-04 30 1.8062841E-02 -6.2483362E-03 -2.7133027E-03 1.1187482E-03 31 3.0074820E-02 -1.0732414E-02 -4.6843548E-03 1.9315083E-03 32 4.4696702E-02 -1.7044352E-02 -7.5068174E-03 3.1043410E-03 33 5.3759995E-02 -2.3560528E-02 -1.0607444E-02 4.3988192E-03 34 4.3416754E-02 -2.4602306E-02 -1.1528973E-02 4.8299272E-03 35 1.6862548E-02 -1.1636412E-02 -5.8248148E-03 2.4586304E-03 36 1.6974384E-03 1.3459372E-02 8.4939863E-03 -3.7426830E-03 37 8.2772763E-05 2.4612830E-02 2.0792585E-02 -9.8414219E-03 38 -3.0307328E-05 1.0368658E-02 1.1514984E-02 -5.7584477E-03 39 1.5269237E-05 8.7865235E-04 -9.3177411E-03 5.6702572E-03 40 -8.0874919E-06 5.5073939E-05 -1.1725744E-02 1.1922594E-02 41 3.1323439E-06 -1.2591284E-05 -1.9769673E-03 8.3134761E-04 42 -1.0191268E-06 3.3839672E-06 -3.0380799E-05 -6.2826097E-03 43 2.6380867E-07 -1.2182870E-06 -8.4906158E-06 -2.4089445E-03 44 -3.8540638E-08 1.5419508E-07 5.7363083E-08 -1.1694563E-04 2P- 3P- 4P- -1.2430126E+02 -2.1489824E+01 -2.5198754E+00 ------------ ------------ ------------ *** Large-Component *** 1 1.2738596E-05 -5.7090187E-06 2.2171197E-06 2 2.4129021E-05 -1.0813346E-05 4.1989055E-06 3 6.3961886E-05 -2.8671547E-05 1.1136082E-05 4 1.3520713E-04 -6.0604372E-05 2.3530120E-05 5 3.0094217E-04 -1.3503794E-04 5.2473897E-05 6 6.6437237E-04 -2.9819289E-04 1.1575125E-04 7 1.6005651E-03 -7.2098910E-04 2.8051657E-04 8 4.2377428E-03 -1.9131561E-03 7.4304461E-04 9 1.2236248E-02 -5.5755949E-03 2.1743630E-03 10 3.5654252E-02 -1.6440953E-02 6.4093465E-03 11 9.6391944E-02 -4.5782344E-02 1.7989368E-02 12 2.1639897E-01 -1.0713241E-01 4.2299948E-02 13 3.4976706E-01 -1.8410392E-01 7.3929471E-02 14 3.2874566E-01 -1.5718792E-01 6.0708317E-02 15 1.3190594E-01 1.2727302E-01 -7.2876793E-02 16 1.3914216E-02 4.8697688E-01 -2.7300169E-01 17 1.2235231E-03 4.2840336E-01 -2.6424193E-01 18 -3.3161279E-04 9.6256365E-02 2.3102909E-01 19 1.0503113E-04 3.3933537E-03 5.8589866E-01 20 -7.9941058E-05 8.9131720E-04 3.5230467E-01 21 1.0745368E-05 3.3382397E-05 5.2833231E-02 *** Small-Component *** 22 2.4707730E-06 -1.1091588E-06 4.3149798E-07 23 6.2915575E-06 -2.8168700E-06 1.0914002E-06 24 1.6398096E-05 -7.3740176E-06 2.8721081E-06 25 4.0469364E-05 -1.8138739E-05 7.0262800E-06 26 1.0015322E-04 -4.5125793E-05 1.7584541E-05 27 2.4653949E-04 -1.1077718E-04 4.2937736E-05 28 6.0728882E-04 -2.7440771E-04 1.0694133E-04 29 1.4732993E-03 -6.6576334E-04 2.5845628E-04 30 3.4689456E-03 -1.5823905E-03 6.1739632E-04 31 7.5950749E-03 -3.5033662E-03 1.3656506E-03 32 1.4780907E-02 -7.0235016E-03 2.7601062E-03 33 2.3500533E-02 -1.1642347E-02 4.5972293E-03 34 2.6835647E-02 -1.4145398E-02 5.6816050E-03 35 1.7882663E-02 -8.5799275E-03 3.3163396E-03 36 5.0265765E-03 4.9740361E-03 -2.8417826E-03 37 3.1078292E-04 1.3497600E-02 -7.5619965E-03 38 -2.5866950E-05 8.4703453E-03 -5.2235799E-03 39 -3.0501881E-05 1.3395972E-03 3.2061339E-03 40 -2.0876460E-05 3.4153733E-05 5.6413763E-03 41 -6.7386455E-06 6.1976048E-06 2.2824764E-03 42 -1.1056463E-05 8.8017876E-07 2.1800223E-04 2P+ 3P+ 4P+ -1.1841195E+02 -2.0429013E+01 -2.3469380E+00 ------------ ------------ ------------ *** Large-Component *** 1 7.7430451E-06 -3.4948444E-06 1.3491865E-06 2 2.6105564E-05 -1.1861238E-05 4.6095036E-06 3 1.2781701E-04 -5.7772805E-05 2.2299835E-05 4 5.3689942E-04 -2.4424354E-04 9.4831826E-05 5 2.1818410E-03 -9.9149848E-04 3.8342006E-04 6 8.2623213E-03 -3.7899944E-03 1.4726042E-03 7 2.8317584E-02 -1.3124814E-02 5.0961587E-03 8 8.4273952E-02 -4.0208378E-02 1.5730208E-02 9 2.0188884E-01 -1.0033626E-01 3.9455988E-02 10 3.4450117E-01 -1.8249570E-01 7.2947240E-02 11 3.4369553E-01 -1.7317256E-01 6.7634925E-02 12 1.4939044E-01 9.5002935E-02 -5.6880692E-02 13 1.7842302E-02 4.7193371E-01 -2.6109795E-01 14 1.3752954E-03 4.5291157E-01 -2.8400799E-01 15 -3.4463562E-04 1.1329539E-01 1.9096095E-01 16 1.1187128E-04 4.4318824E-03 5.7947964E-01 17 -8.7210972E-05 1.1477625E-03 3.8112934E-01 18 1.1515708E-05 1.6162360E-05 6.5455537E-02 *** Small-Component *** 19 1.4274642E-05 -6.4191528E-06 2.4725071E-06 20 3.8994858E-05 -1.7689479E-05 6.8804847E-06 21 1.3117822E-04 -5.9069012E-05 2.2769783E-05 22 3.8687538E-04 -1.7546133E-04 6.8110111E-05 23 1.0770513E-03 -4.8769897E-04 1.8844913E-04 24 2.7917084E-03 -1.2763761E-03 4.9568135E-04 25 6.5512126E-03 -3.0266087E-03 1.1744815E-03 26 1.3440910E-02 -6.3940853E-03 2.5002338E-03 27 2.2368169E-02 -1.1088162E-02 4.3583637E-03 28 2.6758523E-02 -1.4144798E-02 5.6520349E-03 29 1.8915846E-02 -9.5189652E-03 3.7178377E-03 30 5.8424471E-03 3.6925822E-03 -2.2109141E-03 31 4.9567755E-04 1.3072180E-02 -7.2293628E-03 32 2.7206720E-05 8.9508981E-03 -5.6112722E-03 33 -4.7921315E-06 1.5746348E-03 2.6518739E-03 34 1.0767771E-06 4.2704080E-05 5.5818522E-03 35 -5.6451859E-07 7.4403283E-06 2.4699462E-03 36 4.7393122E-08 6.7031277E-08 2.7159022E-04 3D- 4D- -1.3319471E+01 -3.4021723E-01 ------------ ------------ *** Large-Component *** 1 3.0674217E-04 -9.1379421E-05 2 8.5514997E-04 -2.5886285E-04 3 4.4085243E-03 -1.3181976E-03 4 1.7049443E-02 -5.1734879E-03 5 5.6129342E-02 -1.7028054E-02 6 1.4654751E-01 -4.5399065E-02 7 2.8385874E-01 -8.6566754E-02 8 3.6667483E-01 -1.0708707E-01 9 2.7515408E-01 -3.8418805E-02 10 8.7761064E-02 1.7158895E-01 11 6.7274751E-03 3.5189270E-01 12 8.5922001E-04 3.7659006E-01 13 -1.7920863E-04 2.7407811E-01 14 5.9964118E-05 1.0268406E-01 *** Small-Component *** 15 8.8454081E-05 -2.6294357E-05 16 2.2042961E-04 -6.6769252E-05 17 7.7780722E-04 -2.3248314E-04 18 2.1839240E-03 -6.6274911E-04 19 5.0800363E-03 -1.5411022E-03 20 9.4637694E-03 -2.9319658E-03 21 1.3053468E-02 -3.9814654E-03 22 1.2000612E-02 -3.5055524E-03 23 6.4224887E-03 -8.9716098E-04 24 1.4391911E-03 2.8192390E-03 25 7.4627337E-05 4.0101366E-03 26 5.9545221E-06 2.8872969E-03 27 -1.1884234E-06 1.3454376E-03 28 8.3958329E-08 3.0370290E-04 3D+ 4D+ -1.3110102E+01 -3.1950820E-01 ------------ ------------ *** Large-Component *** 1 1.9325511E-04 -5.6659725E-05 2 7.3784358E-04 -2.2052577E-04 3 3.8768287E-03 -1.1431989E-03 4 1.6015219E-02 -4.7941633E-03 5 5.3928289E-02 -1.6139743E-02 6 1.4326425E-01 -4.3783536E-02 7 2.8055108E-01 -8.4518779E-02 8 3.6706934E-01 -1.0613703E-01 9 2.7987288E-01 -4.1377009E-02 10 9.1160628E-02 1.6353478E-01 11 7.1828346E-03 3.4457533E-01 12 9.0300476E-04 3.7645188E-01 13 -1.8615660E-04 2.8262828E-01 14 6.2869137E-05 1.1558003E-01 *** Small-Component *** 15 7.5847829E-05 -2.2215682E-05 16 2.0154045E-04 -6.0225809E-05 17 7.2593338E-04 -2.1395018E-04 18 2.0889883E-03 -6.2513434E-04 19 4.9326750E-03 -1.4757482E-03 20 9.2925566E-03 -2.8391280E-03 21 1.2937595E-02 -3.8966759E-03 22 1.2030850E-02 -3.4780835E-03 23 6.5433520E-03 -9.6770171E-04 24 1.4988686E-03 2.6874225E-03 25 8.1870086E-05 3.9270442E-03 26 6.9334685E-06 2.8864717E-03 27 -9.1705775E-07 1.3874718E-03 28 1.8686270E-07 3.4188397E-04 RADIAL MOMENTS Sym Orb S+ 1 4.96561E+03 4.82408E+01 3.18442E-02 1.37047E-03 7.44288E-05 4.88797E-06 2 5.59173E+02 1.11120E+01 1.37734E-01 2.24316E-02 4.16247E-03 8.70922E-04 3 1.06501E+02 3.88355E+00 3.76888E-01 1.62567E-01 7.75101E-02 4.05324E-02 4 1.86277E+01 1.42965E+00 9.56757E-01 1.03792E+00 1.24447E+00 1.64155E+00 P- 1 1.79680E+02 1.10546E+01 1.17232E-01 1.68829E-02 2.89054E-03 5.75156E-04 2 3.40246E+01 3.77918E+00 3.69707E-01 1.58880E-01 7.63553E-02 4.06777E-02 3 5.56171E+00 1.30678E+00 1.03456E+00 1.22888E+00 1.63641E+00 2.43524E+00 P+ 1 1.47987E+02 1.04220E+01 1.22157E-01 1.82043E-02 3.21421E-03 6.58287E-04 2 2.82943E+01 3.62906E+00 3.80068E-01 1.67714E-01 8.27249E-02 4.52181E-02 3 4.65160E+00 1.26210E+00 1.06448E+00 1.30167E+00 1.78611E+00 2.74192E+00 D- 1 1.50361E+01 3.44767E+00 3.54395E-01 1.49636E-01 7.38316E-02 4.19290E-02 2 1.54898E+00 8.96509E-01 1.52839E+00 2.93004E+00 6.96138E+00 2.02849E+01 D+ 1 1.46284E+01 3.40819E+00 3.57814E-01 1.52389E-01 7.58001E-02 4.33815E-02 2 1.47813E+00 8.77714E-01 1.56420E+00 3.08169E+00 7.54957E+00 2.27004E+01