Ce [Xe]6s(2)4f(1)5d(1) 26s23/20p18/18d13/13f Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 58.0 Atomic Mass = 140.0 Nuclear Radius = 1.198082E-04 Speed of Light = 137.0359895 S+ P- P+ D- D+ F- F+ Number of Closed Shells 6 4 4 2 2 0 0 Open Shells 0 0 0 1 1 1 1 Conf Weight Open Shell Occupation Numbers 1 0.17142857 0.0 0.0 0.0 1.0 0.0 1.0 0.0 2 0.22857143 0.0 0.0 0.0 1.0 0.0 0.0 1.0 3 0.25714286 0.0 0.0 0.0 0.0 1.0 1.0 0.0 4 0.34285714 0.0 0.0 0.0 0.0 1.0 0.0 1.0 ENERGIES Total Energy = -8.861068578153513E+03 Mass Energy = -8.860302307376953E+03 Kinetic Energy = 1.836604479521284E+04 Potential Energy = -1.836681106598940E+04 VIRIAL -[+(CORR )]/ = 1.00000002132656 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ P- P+ D- D+ F- F+ 4.7955055301E+07 o 1.0408332678E+07 o o 2.8625446407E+06 o o 8.7058415812E+05 o o 2.8913951205E+05 o o o 1.0293843033E+05 o o o 3.8980922713E+04 o o o 1.5575872415E+04 o o o o o 6.5303853927E+03 o o o o o 2.8591417371E+03 o o o o o 1.3014957183E+03 o o o o o 6.1392950571E+02 o o o o o o o 2.9857244115E+02 o o o o o o o 1.4938551654E+02 o o o o o o o 7.6791842985E+01 o o o o o o o 3.9961950175E+01 o o o o o o o 2.1054815362E+01 o o o o o o o 1.1272201105E+01 o o o o o o o 5.9104296183E+00 o o o o o o o 3.0446140698E+00 o o o o o o o 1.5423003100E+00 o o o o o o o 7.4158988433E-01 o o o o o o o 3.4132504093E-01 o o o o o o o 1.4234970794E-01 o o o o o o o 5.4245714267E-02 o o o 2.2081836914E-02 o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 4.7955055301E+07 1.0000000000E+00 1.0000000000E+00 2 1.0408332678E+07 1.0000000000E+00 1.0000000000E+00 3 2.8625446407E+06 1.0000000000E+00 1.0000000000E+00 4 8.7058415812E+05 1.0000000000E+00 1.0000000000E+00 5 2.8913951205E+05 1.0000000000E+00 1.0000000000E+00 6 1.0293843033E+05 1.0000000000E+00 1.0000000000E+00 7 3.8980922713E+04 1.0000000000E+00 1.0000000000E+00 8 1.5575872415E+04 1.0000000000E+00 1.0000000000E+00 9 6.5303853927E+03 1.0000000000E+00 1.0000000000E+00 10 2.8591417371E+03 1.0000000000E+00 1.0000000000E+00 11 1.3014957183E+03 1.0000000000E+00 1.0000000000E+00 12 6.1392950571E+02 1.0000000000E+00 1.0000000000E+00 13 2.9857244115E+02 1.0000000000E+00 1.0000000000E+00 14 1.4938551654E+02 1.0000000000E+00 1.0000000000E+00 15 7.6791842985E+01 1.0000000000E+00 1.0000000000E+00 16 3.9961950175E+01 1.0000000000E+00 1.0000000000E+00 17 2.1054815362E+01 1.0000000000E+00 1.0000000000E+00 18 1.1272201105E+01 1.0000000000E+00 1.0000000000E+00 19 5.9104296183E+00 1.0000000000E+00 1.0000000000E+00 20 3.0446140698E+00 1.0000000000E+00 1.0000000000E+00 21 1.5423003100E+00 1.0000000000E+00 1.0000000000E+00 22 7.4158988433E-01 1.0000000000E+00 1.0000000000E+00 23 3.4132504093E-01 1.0000000000E+00 1.0000000000E+00 24 1.4234970794E-01 1.0000000000E+00 1.0000000000E+00 25 5.4245714267E-02 1.0000000000E+00 1.0000000000E+00 26 2.2081836914E-02 1.0000000000E+00 1.0000000000E+00 P- 1 1.0408332678E+07 1.0000000000E+00 1.0000000000E+00 2 2.8625446407E+06 1.0000000000E+00 1.0000000000E+00 3 8.7058415812E+05 1.0000000000E+00 1.0000000000E+00 4 2.8913951205E+05 1.0000000000E+00 1.0000000000E+00 5 1.0293843033E+05 1.0000000000E+00 1.0000000000E+00 6 3.8980922713E+04 1.0000000000E+00 1.0000000000E+00 7 1.5575872415E+04 1.0000000000E+00 1.0000000000E+00 8 6.5303853927E+03 1.0000000000E+00 1.0000000000E+00 9 2.8591417371E+03 1.0000000000E+00 1.0000000000E+00 10 1.3014957183E+03 1.0000000000E+00 1.0000000000E+00 11 6.1392950571E+02 1.0000000000E+00 1.0000000000E+00 12 2.9857244115E+02 1.0000000000E+00 1.0000000000E+00 13 1.4938551654E+02 1.0000000000E+00 1.0000000000E+00 14 7.6791842985E+01 1.0000000000E+00 1.0000000000E+00 15 3.9961950175E+01 1.0000000000E+00 1.0000000000E+00 16 2.1054815362E+01 1.0000000000E+00 1.0000000000E+00 17 1.1272201105E+01 1.0000000000E+00 1.0000000000E+00 18 5.9104296183E+00 1.0000000000E+00 1.0000000000E+00 19 3.0446140698E+00 1.0000000000E+00 1.0000000000E+00 20 1.5423003100E+00 1.0000000000E+00 1.0000000000E+00 21 7.4158988433E-01 1.0000000000E+00 1.0000000000E+00 22 3.4132504093E-01 1.0000000000E+00 1.0000000000E+00 23 1.4234970794E-01 1.0000000000E+00 1.0000000000E+00 P+ 1 2.8913951205E+05 1.0000000000E+00 1.0000000000E+00 2 1.0293843033E+05 1.0000000000E+00 1.0000000000E+00 3 3.8980922713E+04 1.0000000000E+00 1.0000000000E+00 4 1.5575872415E+04 1.0000000000E+00 1.0000000000E+00 5 6.5303853927E+03 1.0000000000E+00 1.0000000000E+00 6 2.8591417371E+03 1.0000000000E+00 1.0000000000E+00 7 1.3014957183E+03 1.0000000000E+00 1.0000000000E+00 8 6.1392950571E+02 1.0000000000E+00 1.0000000000E+00 9 2.9857244115E+02 1.0000000000E+00 1.0000000000E+00 10 1.4938551654E+02 1.0000000000E+00 1.0000000000E+00 11 7.6791842985E+01 1.0000000000E+00 1.0000000000E+00 12 3.9961950175E+01 1.0000000000E+00 1.0000000000E+00 13 2.1054815362E+01 1.0000000000E+00 1.0000000000E+00 14 1.1272201105E+01 1.0000000000E+00 1.0000000000E+00 15 5.9104296183E+00 1.0000000000E+00 1.0000000000E+00 16 3.0446140698E+00 1.0000000000E+00 1.0000000000E+00 17 1.5423003100E+00 1.0000000000E+00 1.0000000000E+00 18 7.4158988433E-01 1.0000000000E+00 1.0000000000E+00 19 3.4132504093E-01 1.0000000000E+00 1.0000000000E+00 20 1.4234970794E-01 1.0000000000E+00 1.0000000000E+00 D- 1 1.5575872415E+04 1.0000000000E+00 1.0000000000E+00 2 6.5303853927E+03 1.0000000000E+00 1.0000000000E+00 3 2.8591417371E+03 1.0000000000E+00 1.0000000000E+00 4 1.3014957183E+03 1.0000000000E+00 1.0000000000E+00 5 6.1392950571E+02 1.0000000000E+00 1.0000000000E+00 6 2.9857244115E+02 1.0000000000E+00 1.0000000000E+00 7 1.4938551654E+02 1.0000000000E+00 1.0000000000E+00 8 7.6791842985E+01 1.0000000000E+00 1.0000000000E+00 9 3.9961950175E+01 1.0000000000E+00 1.0000000000E+00 10 2.1054815362E+01 1.0000000000E+00 1.0000000000E+00 11 1.1272201105E+01 1.0000000000E+00 1.0000000000E+00 12 5.9104296183E+00 1.0000000000E+00 1.0000000000E+00 13 3.0446140698E+00 1.0000000000E+00 1.0000000000E+00 14 1.5423003100E+00 1.0000000000E+00 1.0000000000E+00 15 7.4158988433E-01 1.0000000000E+00 1.0000000000E+00 16 3.4132504093E-01 1.0000000000E+00 1.0000000000E+00 17 1.4234970794E-01 1.0000000000E+00 1.0000000000E+00 18 5.4245714267E-02 1.0000000000E+00 1.0000000000E+00 D+ 1 1.5575872415E+04 1.0000000000E+00 1.0000000000E+00 2 6.5303853927E+03 1.0000000000E+00 1.0000000000E+00 3 2.8591417371E+03 1.0000000000E+00 1.0000000000E+00 4 1.3014957183E+03 1.0000000000E+00 1.0000000000E+00 5 6.1392950571E+02 1.0000000000E+00 1.0000000000E+00 6 2.9857244115E+02 1.0000000000E+00 1.0000000000E+00 7 1.4938551654E+02 1.0000000000E+00 1.0000000000E+00 8 7.6791842985E+01 1.0000000000E+00 1.0000000000E+00 9 3.9961950175E+01 1.0000000000E+00 1.0000000000E+00 10 2.1054815362E+01 1.0000000000E+00 1.0000000000E+00 11 1.1272201105E+01 1.0000000000E+00 1.0000000000E+00 12 5.9104296183E+00 1.0000000000E+00 1.0000000000E+00 13 3.0446140698E+00 1.0000000000E+00 1.0000000000E+00 14 1.5423003100E+00 1.0000000000E+00 1.0000000000E+00 15 7.4158988433E-01 1.0000000000E+00 1.0000000000E+00 16 3.4132504093E-01 1.0000000000E+00 1.0000000000E+00 17 1.4234970794E-01 1.0000000000E+00 1.0000000000E+00 18 5.4245714267E-02 1.0000000000E+00 1.0000000000E+00 F- 1 6.1392950571E+02 1.0000000000E+00 1.0000000000E+00 2 2.9857244115E+02 1.0000000000E+00 1.0000000000E+00 3 1.4938551654E+02 1.0000000000E+00 1.0000000000E+00 4 7.6791842985E+01 1.0000000000E+00 1.0000000000E+00 5 3.9961950175E+01 1.0000000000E+00 1.0000000000E+00 6 2.1054815362E+01 1.0000000000E+00 1.0000000000E+00 7 1.1272201105E+01 1.0000000000E+00 1.0000000000E+00 8 5.9104296183E+00 1.0000000000E+00 1.0000000000E+00 9 3.0446140698E+00 1.0000000000E+00 1.0000000000E+00 10 1.5423003100E+00 1.0000000000E+00 1.0000000000E+00 11 7.4158988433E-01 1.0000000000E+00 1.0000000000E+00 12 3.4132504093E-01 1.0000000000E+00 1.0000000000E+00 13 1.4234970794E-01 1.0000000000E+00 1.0000000000E+00 F+ 1 6.1392950571E+02 1.0000000000E+00 1.0000000000E+00 2 2.9857244115E+02 1.0000000000E+00 1.0000000000E+00 3 1.4938551654E+02 1.0000000000E+00 1.0000000000E+00 4 7.6791842985E+01 1.0000000000E+00 1.0000000000E+00 5 3.9961950175E+01 1.0000000000E+00 1.0000000000E+00 6 2.1054815362E+01 1.0000000000E+00 1.0000000000E+00 7 1.1272201105E+01 1.0000000000E+00 1.0000000000E+00 8 5.9104296183E+00 1.0000000000E+00 1.0000000000E+00 9 3.0446140698E+00 1.0000000000E+00 1.0000000000E+00 10 1.5423003100E+00 1.0000000000E+00 1.0000000000E+00 11 7.4158988433E-01 1.0000000000E+00 1.0000000000E+00 12 3.4132504093E-01 1.0000000000E+00 1.0000000000E+00 13 1.4234970794E-01 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -1.4949177E+03 -2.4333966E+02 -5.4117277E+01 -1.1694665E+01 -1.8856142E+00 -1.8247472E-01 ------------ ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 6.9694664E-05 -2.4712271E-05 1.1267296E-05 -5.3174696E-06 -2.1550123E-06 6.1661405E-07 2 1.8711776E-04 -6.6562375E-05 3.0360835E-05 -1.4328876E-05 -5.8065922E-06 1.6610856E-06 3 4.7928389E-04 -1.7119783E-04 7.8143894E-05 -3.6889356E-05 -1.4951739E-05 4.2786401E-06 4 1.1608119E-03 -4.1719491E-04 1.9057461E-04 -8.9967979E-05 -3.6458660E-05 1.0428384E-05 5 2.8160810E-03 -1.0198875E-03 4.6651099E-04 -2.2033925E-04 -8.9323662E-05 2.5566494E-05 6 6.8351033E-03 -2.4987021E-03 1.1441780E-03 -5.4040182E-04 -2.1899210E-04 6.2624012E-05 7 1.6554764E-02 -6.1261309E-03 2.8114695E-03 -1.3289824E-03 -5.3892826E-04 1.5430789E-04 8 3.9266200E-02 -1.4803440E-02 6.8093747E-03 -3.2189557E-03 -1.3044889E-03 3.7289926E-04 9 8.8175315E-02 -3.4410753E-02 1.5925119E-02 -7.5428907E-03 -3.0608005E-03 8.7688798E-04 10 1.7728488E-01 -7.4069274E-02 3.4618090E-02 -1.6419350E-02 -6.6568998E-03 1.9017563E-03 11 2.8900510E-01 -1.3826192E-01 6.6168203E-02 -3.1587202E-02 -1.2846733E-02 3.6860073E-03 12 3.1852900E-01 -1.9190515E-01 9.5431682E-02 -4.5856057E-02 -1.8622059E-02 5.3063963E-03 13 1.7364475E-01 -1.0785216E-01 5.6040618E-02 -2.7465199E-02 -1.1322827E-02 3.3093031E-03 14 2.6568017E-02 2.4225657E-01 -1.6982000E-01 8.8686478E-02 3.7018121E-02 -1.0794012E-02 15 1.6869466E-03 5.5340318E-01 -5.0659935E-01 2.7925073E-01 1.1651578E-01 -3.3119577E-02 16 -8.4876169E-04 3.3617709E-01 -3.9175704E-01 2.3967402E-01 1.0503111E-01 -3.1234918E-02 17 6.5535690E-04 4.6510910E-02 4.3857383E-01 -3.5039469E-01 -1.6442786E-01 4.9884635E-02 18 -5.4207805E-04 3.3428166E-03 7.6336562E-01 -9.3283324E-01 -4.6312194E-01 1.3325335E-01 19 3.4655145E-04 -1.3197829E-03 2.0717513E-01 -6.9386068E-02 -2.1856995E-02 1.2613684E-02 20 -2.0279206E-04 5.7536120E-04 1.0120417E-02 9.6135231E-01 7.3245252E-01 -2.4456300E-01 21 1.1413136E-04 -4.3177941E-04 7.0077191E-04 4.5821007E-01 6.1522776E-01 -1.9527857E-01 22 -5.6536455E-05 2.1511302E-04 8.8060424E-05 1.4211299E-02 -6.2860135E-01 2.3201944E-01 23 2.5399608E-05 -9.0970498E-05 -2.0133946E-04 5.4493642E-03 -8.0570567E-01 5.1733101E-01 24 -1.0397118E-05 3.8921303E-05 6.0291764E-05 -1.6947894E-03 -9.2447702E-02 7.4816715E-02 25 4.0650467E-06 -1.5156860E-05 -2.7128373E-05 7.1234646E-04 2.7993733E-03 -7.6958424E-01 26 -1.1828932E-06 4.4150478E-06 8.0533998E-06 -2.0910160E-04 -4.9476500E-04 -4.5678124E-01 *** Small-Component *** 27 1.2022728E-04 -4.2533241E-05 1.9387918E-05 -9.1501887E-06 -3.7087878E-06 1.0615191E-06 28 4.1517032E-04 -1.4688908E-04 6.6939670E-05 -3.1583593E-05 -1.2796547E-05 3.6596119E-06 29 9.6084972E-04 -3.4011067E-04 1.5505196E-04 -7.3181857E-05 -2.9664301E-05 8.4915310E-06 30 2.0911764E-03 -7.4068030E-04 3.3757751E-04 -1.5927287E-04 -6.4526875E-05 1.8450529E-05 31 4.2231553E-03 -1.4982116E-03 6.8328820E-04 -3.2254411E-04 -1.3075656E-04 3.7436180E-05 32 8.1318258E-03 -2.8938672E-03 1.3198081E-03 -6.2275756E-04 -2.5228466E-04 7.2122878E-05 33 1.4852242E-02 -5.3236022E-03 2.4320364E-03 -1.1485424E-03 -4.6570102E-04 1.3336638E-04 34 2.5645912E-02 -9.3338728E-03 4.2715116E-03 -2.0168913E-03 -8.1707939E-04 2.3351890E-04 35 4.0926809E-02 -1.5399169E-02 7.0901479E-03 -3.3545759E-03 -1.3609840E-03 3.8994470E-04 36 5.7769867E-02 -2.3280033E-02 1.0826160E-02 -5.1291459E-03 -2.0789178E-03 5.9382941E-04 37 6.5869316E-02 -3.0447165E-02 1.4506012E-02 -6.9182209E-03 -2.8131636E-03 8.0718436E-04 38 5.0914554E-02 -2.9741948E-02 1.4740181E-02 -7.0778060E-03 -2.8738114E-03 8.1885713E-04 39 1.9566017E-02 -1.1966031E-02 6.2304849E-03 -3.0542812E-03 -1.2589547E-03 3.6778520E-04 40 2.1284170E-03 1.8532850E-02 -1.2907508E-02 6.7321605E-03 2.8094980E-03 -8.1935783E-04 41 9.6023122E-05 3.0704331E-02 -2.7971518E-02 1.5406128E-02 6.4270121E-03 -1.8267914E-03 42 -3.4956098E-05 1.3494038E-02 -1.5682420E-02 9.5919194E-03 4.2028135E-03 -1.2497403E-03 43 1.9589284E-05 1.3563178E-03 1.2695835E-02 -1.0129098E-02 -4.7518914E-03 1.4417181E-03 44 -1.1806254E-05 7.1181420E-05 1.6210217E-02 -1.9789521E-02 -9.8237040E-03 2.8265286E-03 45 5.4500676E-06 -2.0350170E-05 3.1869164E-03 -1.0718011E-03 -3.3975925E-04 1.9498754E-04 46 -2.2762275E-06 6.3610744E-06 1.1175292E-04 1.0601885E-02 8.0757157E-03 -2.6963588E-03 47 9.0378698E-07 -3.3921159E-06 5.4749241E-06 3.5970828E-03 4.8288422E-03 -1.5327344E-03 48 -3.0627419E-07 1.1694453E-06 4.9440735E-07 7.7386065E-05 -3.4208669E-03 1.2626079E-03 49 9.1263391E-08 -3.3413841E-07 -7.5078877E-07 2.0112871E-05 -2.9749002E-03 1.9100675E-03 50 -2.3163999E-08 9.1751584E-08 1.4672940E-07 -4.0371049E-06 -2.2043245E-04 1.7839619E-04 51 5.1428973E-09 -2.1776290E-08 -4.1122565E-08 1.0466824E-06 4.1179081E-06 -1.1327513E-03 52 -8.0556857E-10 3.9542845E-09 7.9414469E-09 -1.9573514E-07 -4.6377825E-07 -4.2896652E-04 2P- 3P- 4P- 5P- -2.2913470E+02 -4.8073113E+01 -9.3623323E+00 -1.1605108E+00 ------------ ------------ ------------ ------------ *** Large-Component *** 1 3.5437765E-05 -1.6926722E-05 -7.8249481E-06 2.9302356E-06 2 5.5272145E-05 -2.6401601E-05 -1.2203909E-05 4.5694311E-06 3 1.4894313E-04 -7.1159253E-05 -3.2899467E-05 1.2321132E-05 4 2.8891303E-04 -1.3806148E-04 -6.3816480E-05 2.3891378E-05 5 6.2363551E-04 -2.9828682E-04 -1.3796825E-04 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