Ho [Xe]6s(2)4f(11) 26s23/20p16/16d13/13f Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 67.0 Atomic Mass = 162.0 Nuclear Radius = 1.250879E-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 0 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.15384615 0.0 0.0 0.0 0.0 0.0 6.0 5.0 2 0.46153846 0.0 0.0 0.0 0.0 0.0 5.0 6.0 3 0.32967033 0.0 0.0 0.0 0.0 0.0 4.0 7.0 4 0.05494505 0.0 0.0 0.0 0.0 0.0 3.0 8.0 ENERGIES Total Energy = -1.262140424341418E+04 Mass Energy = -1.261938985503300E+04 Kinetic Energy = 2.650214164077564E+04 Potential Energy = -2.650415602915682E+04 VIRIAL -[+(CORR )]/ = 1.00000002639497 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ P- P+ D- D+ F- F+ 4.7616244839E+07 o 1.1137582533E+07 o o 3.2728173141E+06 o o 1.0418665227E+06 o o 3.5775480109E+05 o o o 1.3009701055E+05 o o o 4.9902546732E+04 o o o 2.0082172515E+04 o o o o o 8.4478414701E+03 o o o o o 3.7004453779E+03 o o o o o 1.6824465179E+03 o o o o o 7.9205205252E+02 o o o o o o o 3.8429131981E+02 o o o o o o o 1.9206773553E+02 o o o o o o o 9.8699318348E+01 o o o o o o o 5.1459739868E+01 o o o o o o o 2.7284576542E+01 o o o o o o o 1.4650370354E+01 o o o o o o o 7.7275501220E+00 o o o o o o o 3.9738899232E+00 o o o o o o o 1.9812779925E+00 o o o o o o o 9.3787335728E-01 o o o o o o o 4.1945940377E-01 o o o o o o o 1.7077121469E-01 o o o o o 6.4166420580E-02 o 2.5149392708E-02 o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 4.7616244839E+07 1.0000000000E+00 1.0000000000E+00 2 1.1137582533E+07 1.0000000000E+00 1.0000000000E+00 3 3.2728173141E+06 1.0000000000E+00 1.0000000000E+00 4 1.0418665227E+06 1.0000000000E+00 1.0000000000E+00 5 3.5775480109E+05 1.0000000000E+00 1.0000000000E+00 6 1.3009701055E+05 1.0000000000E+00 1.0000000000E+00 7 4.9902546732E+04 1.0000000000E+00 1.0000000000E+00 8 2.0082172515E+04 1.0000000000E+00 1.0000000000E+00 9 8.4478414701E+03 1.0000000000E+00 1.0000000000E+00 10 3.7004453779E+03 1.0000000000E+00 1.0000000000E+00 11 1.6824465179E+03 1.0000000000E+00 1.0000000000E+00 12 7.9205205252E+02 1.0000000000E+00 1.0000000000E+00 13 3.8429131981E+02 1.0000000000E+00 1.0000000000E+00 14 1.9206773553E+02 1.0000000000E+00 1.0000000000E+00 15 9.8699318348E+01 1.0000000000E+00 1.0000000000E+00 16 5.1459739868E+01 1.0000000000E+00 1.0000000000E+00 17 2.7284576542E+01 1.0000000000E+00 1.0000000000E+00 18 1.4650370354E+01 1.0000000000E+00 1.0000000000E+00 19 7.7275501220E+00 1.0000000000E+00 1.0000000000E+00 20 3.9738899232E+00 1.0000000000E+00 1.0000000000E+00 21 1.9812779925E+00 1.0000000000E+00 1.0000000000E+00 22 9.3787335728E-01 1.0000000000E+00 1.0000000000E+00 23 4.1945940377E-01 1.0000000000E+00 1.0000000000E+00 24 1.7077121469E-01 1.0000000000E+00 1.0000000000E+00 25 6.4166420580E-02 1.0000000000E+00 1.0000000000E+00 26 2.5149392708E-02 1.0000000000E+00 1.0000000000E+00 P- 1 1.1137582533E+07 1.0000000000E+00 1.0000000000E+00 2 3.2728173141E+06 1.0000000000E+00 1.0000000000E+00 3 1.0418665227E+06 1.0000000000E+00 1.0000000000E+00 4 3.5775480109E+05 1.0000000000E+00 1.0000000000E+00 5 1.3009701055E+05 1.0000000000E+00 1.0000000000E+00 6 4.9902546732E+04 1.0000000000E+00 1.0000000000E+00 7 2.0082172515E+04 1.0000000000E+00 1.0000000000E+00 8 8.4478414701E+03 1.0000000000E+00 1.0000000000E+00 9 3.7004453779E+03 1.0000000000E+00 1.0000000000E+00 10 1.6824465179E+03 1.0000000000E+00 1.0000000000E+00 11 7.9205205252E+02 1.0000000000E+00 1.0000000000E+00 12 3.8429131981E+02 1.0000000000E+00 1.0000000000E+00 13 1.9206773553E+02 1.0000000000E+00 1.0000000000E+00 14 9.8699318348E+01 1.0000000000E+00 1.0000000000E+00 15 5.1459739868E+01 1.0000000000E+00 1.0000000000E+00 16 2.7284576542E+01 1.0000000000E+00 1.0000000000E+00 17 1.4650370354E+01 1.0000000000E+00 1.0000000000E+00 18 7.7275501220E+00 1.0000000000E+00 1.0000000000E+00 19 3.9738899232E+00 1.0000000000E+00 1.0000000000E+00 20 1.9812779925E+00 1.0000000000E+00 1.0000000000E+00 21 9.3787335728E-01 1.0000000000E+00 1.0000000000E+00 22 4.1945940377E-01 1.0000000000E+00 1.0000000000E+00 23 1.7077121469E-01 1.0000000000E+00 1.0000000000E+00 P+ 1 3.5775480109E+05 1.0000000000E+00 1.0000000000E+00 2 1.3009701055E+05 1.0000000000E+00 1.0000000000E+00 3 4.9902546732E+04 1.0000000000E+00 1.0000000000E+00 4 2.0082172515E+04 1.0000000000E+00 1.0000000000E+00 5 8.4478414701E+03 1.0000000000E+00 1.0000000000E+00 6 3.7004453779E+03 1.0000000000E+00 1.0000000000E+00 7 1.6824465179E+03 1.0000000000E+00 1.0000000000E+00 8 7.9205205252E+02 1.0000000000E+00 1.0000000000E+00 9 3.8429131981E+02 1.0000000000E+00 1.0000000000E+00 10 1.9206773553E+02 1.0000000000E+00 1.0000000000E+00 11 9.8699318348E+01 1.0000000000E+00 1.0000000000E+00 12 5.1459739868E+01 1.0000000000E+00 1.0000000000E+00 13 2.7284576542E+01 1.0000000000E+00 1.0000000000E+00 14 1.4650370354E+01 1.0000000000E+00 1.0000000000E+00 15 7.7275501220E+00 1.0000000000E+00 1.0000000000E+00 16 3.9738899232E+00 1.0000000000E+00 1.0000000000E+00 17 1.9812779925E+00 1.0000000000E+00 1.0000000000E+00 18 9.3787335728E-01 1.0000000000E+00 1.0000000000E+00 19 4.1945940377E-01 1.0000000000E+00 1.0000000000E+00 20 1.7077121469E-01 1.0000000000E+00 1.0000000000E+00 D- 1 2.0082172515E+04 1.0000000000E+00 1.0000000000E+00 2 8.4478414701E+03 1.0000000000E+00 1.0000000000E+00 3 3.7004453779E+03 1.0000000000E+00 1.0000000000E+00 4 1.6824465179E+03 1.0000000000E+00 1.0000000000E+00 5 7.9205205252E+02 1.0000000000E+00 1.0000000000E+00 6 3.8429131981E+02 1.0000000000E+00 1.0000000000E+00 7 1.9206773553E+02 1.0000000000E+00 1.0000000000E+00 8 9.8699318348E+01 1.0000000000E+00 1.0000000000E+00 9 5.1459739868E+01 1.0000000000E+00 1.0000000000E+00 10 2.7284576542E+01 1.0000000000E+00 1.0000000000E+00 11 1.4650370354E+01 1.0000000000E+00 1.0000000000E+00 12 7.7275501220E+00 1.0000000000E+00 1.0000000000E+00 13 3.9738899232E+00 1.0000000000E+00 1.0000000000E+00 14 1.9812779925E+00 1.0000000000E+00 1.0000000000E+00 15 9.3787335728E-01 1.0000000000E+00 1.0000000000E+00 16 4.1945940377E-01 1.0000000000E+00 1.0000000000E+00 D+ 1 2.0082172515E+04 1.0000000000E+00 1.0000000000E+00 2 8.4478414701E+03 1.0000000000E+00 1.0000000000E+00 3 3.7004453779E+03 1.0000000000E+00 1.0000000000E+00 4 1.6824465179E+03 1.0000000000E+00 1.0000000000E+00 5 7.9205205252E+02 1.0000000000E+00 1.0000000000E+00 6 3.8429131981E+02 1.0000000000E+00 1.0000000000E+00 7 1.9206773553E+02 1.0000000000E+00 1.0000000000E+00 8 9.8699318348E+01 1.0000000000E+00 1.0000000000E+00 9 5.1459739868E+01 1.0000000000E+00 1.0000000000E+00 10 2.7284576542E+01 1.0000000000E+00 1.0000000000E+00 11 1.4650370354E+01 1.0000000000E+00 1.0000000000E+00 12 7.7275501220E+00 1.0000000000E+00 1.0000000000E+00 13 3.9738899232E+00 1.0000000000E+00 1.0000000000E+00 14 1.9812779925E+00 1.0000000000E+00 1.0000000000E+00 15 9.3787335728E-01 1.0000000000E+00 1.0000000000E+00 16 4.1945940377E-01 1.0000000000E+00 1.0000000000E+00 F- 1 7.9205205252E+02 1.0000000000E+00 1.0000000000E+00 2 3.8429131981E+02 1.0000000000E+00 1.0000000000E+00 3 1.9206773553E+02 1.0000000000E+00 1.0000000000E+00 4 9.8699318348E+01 1.0000000000E+00 1.0000000000E+00 5 5.1459739868E+01 1.0000000000E+00 1.0000000000E+00 6 2.7284576542E+01 1.0000000000E+00 1.0000000000E+00 7 1.4650370354E+01 1.0000000000E+00 1.0000000000E+00 8 7.7275501220E+00 1.0000000000E+00 1.0000000000E+00 9 3.9738899232E+00 1.0000000000E+00 1.0000000000E+00 10 1.9812779925E+00 1.0000000000E+00 1.0000000000E+00 11 9.3787335728E-01 1.0000000000E+00 1.0000000000E+00 12 4.1945940377E-01 1.0000000000E+00 1.0000000000E+00 13 1.7077121469E-01 1.0000000000E+00 1.0000000000E+00 F+ 1 7.9205205252E+02 1.0000000000E+00 1.0000000000E+00 2 3.8429131981E+02 1.0000000000E+00 1.0000000000E+00 3 1.9206773553E+02 1.0000000000E+00 1.0000000000E+00 4 9.8699318348E+01 1.0000000000E+00 1.0000000000E+00 5 5.1459739868E+01 1.0000000000E+00 1.0000000000E+00 6 2.7284576542E+01 1.0000000000E+00 1.0000000000E+00 7 1.4650370354E+01 1.0000000000E+00 1.0000000000E+00 8 7.7275501220E+00 1.0000000000E+00 1.0000000000E+00 9 3.9738899232E+00 1.0000000000E+00 1.0000000000E+00 10 1.9812779925E+00 1.0000000000E+00 1.0000000000E+00 11 9.3787335728E-01 1.0000000000E+00 1.0000000000E+00 12 4.1945940377E-01 1.0000000000E+00 1.0000000000E+00 13 1.7077121469E-01 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -2.0561787E+03 -3.4844930E+02 -7.9783441E+01 -1.6702147E+01 -2.2599519E+00 -1.8981881E-01 ------------ ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 1.2686899E-04 -4.6708651E-05 2.1850157E-05 -1.0549365E-05 4.0604906E-06 1.0009771E-06 2 3.1002102E-04 -1.1456831E-04 5.3623159E-05 -2.5890002E-05 9.9643644E-06 2.4559839E-06 3 7.4820623E-04 -2.7775025E-04 1.3010048E-04 -6.2835411E-05 2.4188498E-05 5.9633971E-06 4 1.6891019E-03 -6.3153159E-04 2.9610798E-04 -1.4301457E-04 5.5043966E-05 1.3565906E-05 5 3.8418947E-03 -1.4494656E-03 6.8065854E-04 -3.2896192E-04 1.2666146E-04 3.1231669E-05 6 8.7458010E-03 -3.3378743E-03 1.5698819E-03 -7.5867516E-04 2.9201276E-04 7.1956484E-05 7 1.9982593E-02 -7.7388234E-03 3.6490572E-03 -1.7655349E-03 6.8004064E-04 1.6772657E-04 8 4.4989797E-02 -1.7794355E-02 8.4153351E-03 -4.0712520E-03 1.5671416E-03 3.8606136E-04 9 9.6662702E-02 -3.9640483E-02 1.8867709E-02 -9.1512105E-03 3.5274796E-03 8.7043589E-04 10 1.8692782E-01 -8.2112539E-02 3.9507409E-02 -1.9182870E-02 7.3877043E-03 1.8190472E-03 11 2.9279320E-01 -1.4682286E-01 7.2373703E-02 -3.5417873E-02 1.3687005E-02 3.3817535E-03 12 3.0667848E-01 -1.8959988E-01 9.7058260E-02 -4.7735476E-02 1.8410048E-02 4.5223592E-03 13 1.5468808E-01 -7.2972006E-02 3.6239096E-02 -1.8141421E-02 7.1437530E-03 1.8108185E-03 14 2.0193367E-02 3.0466359E-01 -2.2936907E-01 1.2489826E-01 -4.9646196E-02 -1.2401752E-02 15 1.5542588E-03 5.5401807E-01 -5.5214267E-01 3.1734629E-01 -1.2630323E-01 -3.0994383E-02 16 -9.6719949E-04 2.7904261E-01 -2.9566187E-01 1.9346018E-01 -8.2079312E-02 -2.1096327E-02 17 7.1962080E-04 2.7907512E-02 6.1214615E-01 -5.6838656E-01 2.5911884E-01 6.6559721E-02 18 -5.6106507E-04 2.5377319E-03 6.7860274E-01 -9.0059705E-01 4.2631858E-01 1.0537277E-01 19 3.5397565E-04 -1.2246666E-03 1.2724837E-01 2.6309616E-01 -1.6632936E-01 -3.8788703E-02 20 -1.9762727E-04 4.8062901E-04 7.8027638E-03 9.5015465E-01 -7.4857555E-01 -2.1147446E-01 21 1.0513481E-04 -3.0701503E-04 -9.4695766E-04 3.0554543E-01 -3.6783465E-01 -9.5235290E-02 22 -5.0546398E-05 1.4873798E-04 7.1786046E-04 3.1107920E-03 6.7986406E-01 2.0852245E-01 23 2.2268686E-05 -6.1117413E-05 -4.1342529E-04 3.9633920E-03 6.9761486E-01 3.9710905E-01 24 -9.2083685E-06 2.6246822E-05 1.5929705E-04 -1.1946250E-03 7.1165035E-02 9.5958272E-02 25 3.6334521E-06 -1.0297862E-05 -6.5132750E-05 4.8862991E-04 -2.0772504E-03 -6.9526564E-01 26 -1.0464061E-06 2.9665001E-06 1.8889786E-05 -1.4073866E-04 2.4052251E-04 -5.1719329E-01 *** Small-Component *** 27 1.8682904E-04 -6.8605470E-05 3.2082862E-05 -1.5490939E-05 5.9633486E-06 1.4704098E-06 28 6.2003827E-04 -2.2771364E-04 1.0646971E-04 -5.1385204E-05 1.9772766E-05 4.8723744E-06 29 1.3617517E-03 -5.0040274E-04 2.3404431E-04 -1.1301829E-04 4.3510736E-05 1.0729858E-05 30 2.8650020E-03 -1.0536454E-03 4.9272930E-04 -2.3779371E-04 9.1494457E-05 2.2542855E-05 31 5.6039684E-03 -2.0646530E-03 9.6610777E-04 -4.6661488E-04 1.7966079E-04 4.4310670E-05 32 1.0539329E-02 -3.8963452E-03 1.8235696E-03 -8.8014583E-04 3.3862937E-04 8.3421068E-05 33 1.8838650E-02 -7.0171328E-03 3.2896378E-03 -1.5897188E-03 6.1222114E-04 1.5102441E-04 34 3.1878478E-02 -1.2062025E-02 5.6666827E-03 -2.7370275E-03 1.0530924E-03 2.5937275E-04 35 4.9844784E-02 -1.9501249E-02 9.2189047E-03 -4.4647282E-03 1.7205501E-03 4.2459602E-04 36 6.8780362E-02 -2.8814031E-02 1.3770573E-02 -6.6756939E-03 2.5699136E-03 6.3269269E-04 37 7.6099586E-02 -3.6459222E-02 1.7864031E-02 -8.7306727E-03 3.3730463E-03 8.3342739E-04 38 5.6200382E-02 -3.3361591E-02 1.7005203E-02 -8.3556775E-03 3.2218201E-03 7.9139232E-04 39 2.0025328E-02 -9.4005692E-03 4.7323647E-03 -2.3745183E-03 9.3469539E-04 2.3656728E-04 40 1.8618193E-03 2.6438527E-02 -1.9737175E-02 1.0729691E-02 -4.2638319E-03 -1.0652302E-03 41 1.0079584E-04 3.4907247E-02 -3.4561382E-02 1.9842006E-02 -7.8951444E-03 -1.9373547E-03 42 -4.5221815E-05 1.2738473E-02 -1.3474145E-02 8.8180018E-03 -3.7405685E-03 -9.6120210E-04 43 2.4392023E-05 9.2997181E-04 2.0183926E-02 -1.8708669E-02 8.5262146E-03 2.1901343E-03 44 -1.3812381E-05 6.0948710E-05 1.6440292E-02 -2.1790023E-02 1.0313679E-02 2.5492382E-03 45 6.2576001E-06 -2.1162183E-05 2.2386929E-03 4.6148564E-03 -2.9161109E-03 -6.7986611E-04 46 -2.4583031E-06 5.8183522E-06 9.8967184E-05 1.1972539E-02 -9.4295374E-03 -2.6637694E-03 47 8.9792836E-07 -2.5997165E-06 -8.7092168E-06 2.7191323E-03 -3.2726451E-03 -8.4735503E-04 48 -2.8374431E-07 8.4420577E-07 4.5273218E-06 1.8991920E-05 4.1608892E-03 1.2761372E-03 49 7.7084796E-08 -2.1938779E-07 -1.7506117E-06 1.6249881E-05 2.8554358E-03 1.6253570E-03 50 -1.7357368E-08 5.5327714E-08 4.3989024E-07 -3.1301167E-06 1.8586581E-04 2.5061055E-04 51 2.8204278E-09 -1.0925434E-08 -1.1395945E-07 7.8619167E-07 -3.3268628E-06 -1.1130140E-03 52 -4.4861431E-11 1.1750543E-09 2.1995752E-08 -1.4226791E-07 2.4147765E-07 -5.1833888E-04 2P- 3P- 4P- 5P- -3.3083897E+02 -7.2087649E+01 -1.3589559E+01 -1.3236153E+00 ------------ ------------ ------------ ------------ *** Large-Component *** 1 6.7195506E-05 -3.3120652E-05 -1.5747421E-05 5.4828522E-06 2 9.3222926E-05 -4.5954658E-05 -2.1848679E-05 7.6066684E-06 3 2.5567270E-04 -1.2605545E-04 -5.9939394E-05 2.0870398E-05 4 4.6742860E-04 -2.3054760E-04 -1.0961946E-04 3.8162972E-05 5 9.9327457E-04 -4.9031554E-04 -2.3323009E-04 8.1221957E-05 6 1.9592082E-03 -9.6873809E-04 -4.6079934E-04 1.6041375E-04 7 4.1801824E-03 -2.0738538E-03 -9.8778863E-04 3.4415686E-04 8 9.2997198E-03 -4.6401006E-03 -2.2110753E-03 7.6981081E-04 9 2.2292446E-02 -1.1236761E-02 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