***************************************************************************************** La [Xe]6s(2)5d(1) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 57.0 Atomic Mass = 139.0 Nuclear Radius = 1.195554E-04 Speed of Light = 137.0359955 S+ P- P+ D- D+ Number of Closed Shells 6 4 4 2 2 Open Shells 0 0 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.40000000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 2 0.60000000 0.0 0.0 0.0 0.0 1.0 0.0 0.0 ENERGIES Total Energy = -8.49364352777720E+03 Mass Energy = -8.49295378038302E+03 Kinetic Energy = 1.75818304001255E+04 Potential Energy = -1.75825201475197E+04 NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 2.4700000E+08 1.0000000E+00 1.0000000E+00 2 1.3984373E+08 1.0000000E+00 1.0000000E+00 3 7.9175181E+07 1.0000000E+00 1.0000000E+00 4 4.4826530E+07 1.0000000E+00 1.0000000E+00 5 2.5379390E+07 1.0000000E+00 1.0000000E+00 6 1.4369023E+07 1.0000000E+00 1.0000000E+00 7 8.1352946E+06 1.0000000E+00 1.0000000E+00 8 4.6059513E+06 1.0000000E+00 1.0000000E+00 9 2.6077466E+06 1.0000000E+00 1.0000000E+00 10 1.4764252E+06 1.0000000E+00 1.0000000E+00 11 8.3590612E+05 1.0000000E+00 1.0000000E+00 12 4.7326410E+05 1.0000000E+00 1.0000000E+00 13 2.6794744E+05 1.0000000E+00 1.0000000E+00 14 1.5170352E+05 1.0000000E+00 1.0000000E+00 15 8.5889827E+04 1.0000000E+00 1.0000000E+00 16 4.8628154E+04 1.0000000E+00 1.0000000E+00 17 2.7531751E+04 1.0000000E+00 1.0000000E+00 18 1.5587623E+04 1.0000000E+00 1.0000000E+00 19 8.8252283E+03 1.0000000E+00 1.0000000E+00 20 4.9965703E+03 1.0000000E+00 1.0000000E+00 21 2.8289030E+03 1.0000000E+00 1.0000000E+00 22 1.6016371E+03 1.0000000E+00 1.0000000E+00 23 9.0679719E+02 1.0000000E+00 1.0000000E+00 24 5.1340042E+02 1.0000000E+00 1.0000000E+00 25 2.9067138E+02 1.0000000E+00 1.0000000E+00 26 1.6456911E+02 1.0000000E+00 1.0000000E+00 27 9.3173924E+01 1.0000000E+00 1.0000000E+00 28 5.2752184E+01 1.0000000E+00 1.0000000E+00 29 2.9866649E+01 1.0000000E+00 1.0000000E+00 30 1.6909570E+01 1.0000000E+00 1.0000000E+00 31 9.5736734E+00 1.0000000E+00 1.0000000E+00 32 5.4203167E+00 1.0000000E+00 1.0000000E+00 33 3.0688151E+00 1.0000000E+00 1.0000000E+00 34 1.7374678E+00 1.0000000E+00 1.0000000E+00 35 9.8370036E-01 1.0000000E+00 1.0000000E+00 36 5.5694061E-01 1.0000000E+00 1.0000000E+00 37 3.1532248E-01 1.0000000E+00 1.0000000E+00 38 1.7852580E-01 1.0000000E+00 1.0000000E+00 39 1.0107577E-01 1.0000000E+00 1.0000000E+00 40 5.7225962E-02 1.0000000E+00 1.0000000E+00 41 3.2399564E-02 1.0000000E+00 1.0000000E+00 42 1.8343627E-02 1.0000000E+00 1.0000000E+00 43 1.0385592E-02 1.0000000E+00 1.0000000E+00 44 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.3985048E+08 1.0000000E+00 1.0000000E+00 3 7.8389406E+07 1.0000000E+00 1.0000000E+00 4 4.3939063E+07 1.0000000E+00 1.0000000E+00 5 2.4628854E+07 1.0000000E+00 1.0000000E+00 6 1.3805038E+07 1.0000000E+00 1.0000000E+00 7 7.7380410E+06 1.0000000E+00 1.0000000E+00 8 4.3373497E+06 1.0000000E+00 1.0000000E+00 9 2.4311841E+06 1.0000000E+00 1.0000000E+00 10 1.3627345E+06 1.0000000E+00 1.0000000E+00 11 7.6384401E+05 1.0000000E+00 1.0000000E+00 12 4.2815211E+05 1.0000000E+00 1.0000000E+00 13 2.3998909E+05 1.0000000E+00 1.0000000E+00 14 1.3451940E+05 1.0000000E+00 1.0000000E+00 15 7.5401213E+04 1.0000000E+00 1.0000000E+00 16 4.2264112E+04 1.0000000E+00 1.0000000E+00 17 2.3690005E+04 1.0000000E+00 1.0000000E+00 18 1.3278792E+04 1.0000000E+00 1.0000000E+00 19 7.4430679E+03 1.0000000E+00 1.0000000E+00 20 4.1720105E+03 1.0000000E+00 1.0000000E+00 21 2.3385077E+03 1.0000000E+00 1.0000000E+00 22 1.3107873E+03 1.0000000E+00 1.0000000E+00 23 7.3472638E+02 1.0000000E+00 1.0000000E+00 24 4.1183101E+02 1.0000000E+00 1.0000000E+00 25 2.3084074E+02 1.0000000E+00 1.0000000E+00 26 1.2939154E+02 1.0000000E+00 1.0000000E+00 27 7.2526928E+01 1.0000000E+00 1.0000000E+00 28 4.0653009E+01 1.0000000E+00 1.0000000E+00 29 2.2786945E+01 1.0000000E+00 1.0000000E+00 30 1.2772606E+01 1.0000000E+00 1.0000000E+00 31 7.1593392E+00 1.0000000E+00 1.0000000E+00 32 4.0129740E+00 1.0000000E+00 1.0000000E+00 33 2.2493641E+00 1.0000000E+00 1.0000000E+00 34 1.2608203E+00 1.0000000E+00 1.0000000E+00 35 7.0671871E-01 1.0000000E+00 1.0000000E+00 36 3.9613207E-01 1.0000000E+00 1.0000000E+00 37 2.2204112E-01 1.0000000E+00 1.0000000E+00 38 1.2445915E-01 1.0000000E+00 1.0000000E+00 39 6.9762212E-02 1.0000000E+00 1.0000000E+00 40 3.9103322E-02 1.0000000E+00 1.0000000E+00 41 2.1918310E-02 1.0000000E+00 1.0000000E+00 42 1.2285716E-02 1.0000000E+00 1.0000000E+00 43 6.8864261E-03 1.0000000E+00 1.0000000E+00 44 3.8600000E-03 1.0000000E+00 1.0000000E+00 P+ 1 2.0100000E+07 1.0000000E+00 1.0000000E+00 2 1.1922144E+07 1.0000000E+00 1.0000000E+00 3 7.0715183E+06 1.0000000E+00 1.0000000E+00 4 4.1944110E+06 1.0000000E+00 1.0000000E+00 5 2.4878792E+06 1.0000000E+00 1.0000000E+00 6 1.4756644E+06 1.0000000E+00 1.0000000E+00 7 8.7527777E+05 1.0000000E+00 1.0000000E+00 8 5.1916357E+05 1.0000000E+00 1.0000000E+00 9 3.0793745E+05 1.0000000E+00 1.0000000E+00 10 1.8265048E+05 1.0000000E+00 1.0000000E+00 11 1.0833758E+05 1.0000000E+00 1.0000000E+00 12 6.4259514E+04 1.0000000E+00 1.0000000E+00 13 3.8114984E+04 1.0000000E+00 1.0000000E+00 14 2.2607579E+04 1.0000000E+00 1.0000000E+00 15 1.3409493E+04 1.0000000E+00 1.0000000E+00 16 7.9537267E+03 1.0000000E+00 1.0000000E+00 17 4.7176853E+03 1.0000000E+00 1.0000000E+00 18 2.7982549E+03 1.0000000E+00 1.0000000E+00 19 1.6597611E+03 1.0000000E+00 1.0000000E+00 20 9.8447319E+02 1.0000000E+00 1.0000000E+00 21 5.8393190E+02 1.0000000E+00 1.0000000E+00 22 3.4635424E+02 1.0000000E+00 1.0000000E+00 23 2.0543707E+02 1.0000000E+00 1.0000000E+00 24 1.2185325E+02 1.0000000E+00 1.0000000E+00 25 7.2276219E+01 1.0000000E+00 1.0000000E+00 26 4.2870025E+01 1.0000000E+00 1.0000000E+00 27 2.5427991E+01 1.0000000E+00 1.0000000E+00 28 1.5082396E+01 1.0000000E+00 1.0000000E+00 29 8.9459951E+00 1.0000000E+00 1.0000000E+00 30 5.3062409E+00 1.0000000E+00 1.0000000E+00 31 3.1473517E+00 1.0000000E+00 1.0000000E+00 32 1.8668249E+00 1.0000000E+00 1.0000000E+00 33 1.1072913E+00 1.0000000E+00 1.0000000E+00 34 6.5678041E-01 1.0000000E+00 1.0000000E+00 35 3.8956371E-01 1.0000000E+00 1.0000000E+00 36 2.3106640E-01 1.0000000E+00 1.0000000E+00 37 1.3705507E-01 1.0000000E+00 1.0000000E+00 38 8.1293050E-02 1.0000000E+00 1.0000000E+00 39 4.8218281E-02 1.0000000E+00 1.0000000E+00 40 2.8600263E-02 1.0000000E+00 1.0000000E+00 41 1.6964003E-02 1.0000000E+00 1.0000000E+00 42 1.0062054E-02 1.0000000E+00 1.0000000E+00 43 5.9682218E-03 1.0000000E+00 1.0000000E+00 44 3.5400000E-03 1.0000000E+00 1.0000000E+00 D- 1 8.2000000E+05 1.0000000E+00 1.0000000E+00 2 4.7626832E+05 1.0000000E+00 1.0000000E+00 3 2.7662380E+05 1.0000000E+00 1.0000000E+00 4 1.6066726E+05 1.0000000E+00 1.0000000E+00 5 9.3317959E+04 1.0000000E+00 1.0000000E+00 6 5.4200473E+04 1.0000000E+00 1.0000000E+00 7 3.1480449E+04 1.0000000E+00 1.0000000E+00 8 1.8284318E+04 1.0000000E+00 1.0000000E+00 9 1.0619807E+04 1.0000000E+00 1.0000000E+00 10 6.1681434E+03 1.0000000E+00 1.0000000E+00 11 3.5825504E+03 1.0000000E+00 1.0000000E+00 12 2.0807991E+03 1.0000000E+00 1.0000000E+00 13 1.2085594E+03 1.0000000E+00 1.0000000E+00 14 7.0194945E+02 1.0000000E+00 1.0000000E+00 15 4.0770279E+02 1.0000000E+00 1.0000000E+00 16 2.3679991E+02 1.0000000E+00 1.0000000E+00 17 1.3753695E+02 1.0000000E+00 1.0000000E+00 18 7.9883525E+01 1.0000000E+00 1.0000000E+00 19 4.6397552E+01 1.0000000E+00 1.0000000E+00 20 2.6948395E+01 1.0000000E+00 1.0000000E+00 21 1.5652033E+01 1.0000000E+00 1.0000000E+00 22 9.0909360E+00 1.0000000E+00 1.0000000E+00 23 5.2801523E+00 1.0000000E+00 1.0000000E+00 24 3.0667918E+00 1.0000000E+00 1.0000000E+00 25 1.7812388E+00 1.0000000E+00 1.0000000E+00 26 1.0345702E+00 1.0000000E+00 1.0000000E+00 27 6.0089395E-01 1.0000000E+00 1.0000000E+00 28 3.4900823E-01 1.0000000E+00 1.0000000E+00 29 2.0270923E-01 1.0000000E+00 1.0000000E+00 30 1.1773657E-01 1.0000000E+00 1.0000000E+00 31 6.8383167E-02 1.0000000E+00 1.0000000E+00 32 3.9717971E-02 1.0000000E+00 1.0000000E+00 33 2.3068794E-02 1.0000000E+00 1.0000000E+00 34 1.3398703E-02 1.0000000E+00 1.0000000E+00 35 7.7821678E-03 1.0000000E+00 1.0000000E+00 36 4.5200000E-03 1.0000000E+00 1.0000000E+00 D+ 1 1.6500000E+05 1.0000000E+00 1.0000000E+00 2 9.9977070E+04 1.0000000E+00 1.0000000E+00 3 6.0578269E+04 1.0000000E+00 1.0000000E+00 4 3.6705684E+04 1.0000000E+00 1.0000000E+00 5 2.2240768E+04 1.0000000E+00 1.0000000E+00 6 1.3476162E+04 1.0000000E+00 1.0000000E+00 7 8.1654983E+03 1.0000000E+00 1.0000000E+00 8 4.9476521E+03 1.0000000E+00 1.0000000E+00 9 2.9978894E+03 1.0000000E+00 1.0000000E+00 10 1.8164861E+03 1.0000000E+00 1.0000000E+00 11 1.1006482E+03 1.0000000E+00 1.0000000E+00 12 6.6690656E+02 1.0000000E+00 1.0000000E+00 13 4.0409311E+02 1.0000000E+00 1.0000000E+00 14 2.4484876E+02 1.0000000E+00 1.0000000E+00 15 1.4835916E+02 1.0000000E+00 1.0000000E+00 16 8.9894024E+01 1.0000000E+00 1.0000000E+00 17 5.4468734E+01 1.0000000E+00 1.0000000E+00 18 3.3003784E+01 1.0000000E+00 1.0000000E+00 19 1.9997707E+01 1.0000000E+00 1.0000000E+00 20 1.2117043E+01 1.0000000E+00 1.0000000E+00 21 7.3419786E+00 1.0000000E+00 1.0000000E+00 22 4.4486637E+00 1.0000000E+00 1.0000000E+00 23 2.6955416E+00 1.0000000E+00 1.0000000E+00 24 1.6332869E+00 1.0000000E+00 1.0000000E+00 25 9.8964389E-01 1.0000000E+00 1.0000000E+00 26 5.9964664E-01 1.0000000E+00 1.0000000E+00 27 3.6333887E-01 1.0000000E+00 1.0000000E+00 28 2.2015488E-01 1.0000000E+00 1.0000000E+00 29 1.3339661E-01 1.0000000E+00 1.0000000E+00 30 8.0827890E-02 1.0000000E+00 1.0000000E+00 31 4.8975367E-02 1.0000000E+00 1.0000000E+00 32 2.9675234E-02 1.0000000E+00 1.0000000E+00 33 1.7980866E-02 1.0000000E+00 1.0000000E+00 34 1.0894996E-02 1.0000000E+00 1.0000000E+00 35 6.6015138E-03 1.0000000E+00 1.0000000E+00 36 4.0000000E-03 1.0000000E+00 1.0000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -1.4388972E+03 -2.3297778E+02 -5.1526612E+01 -1.1132664E+01 -1.8205552E+00 -1.7964003E-01 ------------ ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 -3.4739795E-06 1.2255633E-06 5.5691852E-07 2.6187666E-07 -1.0642565E-07 3.0851519E-08 2 1.1815435E-05 -4.1665710E-06 -1.8934521E-06 -8.9063208E-07 3.6205117E-07 -1.0496147E-07 3 7.9317753E-06 -2.8035425E-06 -1.2718943E-06 -5.9451282E-07 2.4036336E-07 -6.9590924E-08 4 2.6119113E-05 -9.2201903E-06 -4.1928062E-06 -1.9754163E-06 8.0412804E-07 -2.3320021E-07 5 3.1830226E-05 -1.1261794E-05 -5.1113542E-06 -2.3913184E-06 9.6754791E-07 -2.8017952E-07 6 6.0573272E-05 -2.1428801E-05 -9.7495234E-06 -4.5964845E-06 1.8720547E-06 -5.4297105E-07 7 8.5581545E-05 -3.0349133E-05 -1.3779788E-05 -6.4481694E-06 2.6093386E-06 -7.5562728E-07 8 1.4363694E-04 -5.0982362E-05 -2.3208906E-05 -1.0946149E-05 4.4592761E-06 -1.2934479E-06 9 2.1677001E-04 -7.7164509E-05 -3.5054855E-05 -1.6404456E-05 6.6380264E-06 -1.9222512E-06 10 3.5326616E-04 -1.2600114E-04 -5.7406294E-05 -2.7086761E-05 1.1037714E-05 -3.2017846E-06 11 5.5787923E-04 -1.9971932E-04 -9.0799048E-05 -4.2488559E-05 1.7190124E-05 -4.9777227E-06 12 9.1767683E-04 -3.2954552E-04 -1.5030634E-04 -7.0959099E-05 2.8924682E-05 -8.3910040E-06 13 1.5097936E-03 -5.4471778E-04 -2.4790770E-04 -1.1600267E-04 4.6924007E-05 -1.3587033E-05 14 2.5526220E-03 -9.2493774E-04 -4.2245680E-04 -1.9955035E-04 8.1365019E-05 -2.3605393E-05 15 4.3667187E-03 -1.5917941E-03 -7.2550220E-04 -3.3953106E-04 1.3733107E-04 -3.9763634E-05 16 7.6177215E-03 -2.7944159E-03 -1.2786937E-03 -6.0430793E-04 2.4644675E-04 -7.1501097E-05 17 1.3431472E-02 -4.9725133E-03 -2.2715883E-03 -1.0636042E-03 4.3023880E-04 -1.2457540E-04 18 2.3874690E-02 -8.9452951E-03 -4.1063495E-03 -1.9419380E-03 7.9205028E-04 -2.2979960E-04 19 4.2276634E-02 -1.6150430E-02 -7.4137228E-03 -3.4751698E-03 1.4061591E-03 -4.0717372E-04 20 7.3522774E-02 -2.8950922E-02 -1.3392651E-02 -6.3441005E-03 2.5884459E-03 -7.5103160E-04 21 1.2227132E-01 -5.0701309E-02 -2.3574809E-02 -1.1080677E-02 4.4859486E-03 -1.2990671E-03 22 1.8653770E-01 -8.4275717E-02 -3.9859811E-02 -1.8982874E-02 7.7566189E-03 -2.2511602E-03 23 2.4244954E-01 -1.2620708E-01 -6.0910375E-02 -2.8830736E-02 1.1680405E-02 -3.3825212E-03 24 2.3713695E-01 -1.5005990E-01 -7.5462764E-02 -3.6567986E-02 1.5034978E-02 -4.3689275E-03 25 1.4200072E-01 -9.0310107E-02 -4.6100925E-02 -2.1682544E-02 8.6515371E-03 -2.4951516E-03 26 3.7301172E-02 1.2828424E-01 8.5666902E-02 4.2607020E-02 -1.7236900E-02 4.9830363E-03 27 2.6452143E-03 4.2281791E-01 3.4627981E-01 1.8833655E-01 -7.9542255E-02 2.3213122E-02 28 1.9860413E-04 4.3647503E-01 4.6981644E-01 2.6386819E-01 -1.1047209E-01 3.2136053E-02 29 -7.0937110E-05 1.7026330E-01 1.1590571E-01 8.2222239E-02 -3.9618891E-02 1.1851987E-02 30 -3.2831292E-05 1.8246589E-02 -5.9283229E-01 -5.2974254E-01 2.5572093E-01 -7.6299944E-02 31 -1.3413941E-05 1.2848561E-03 -6.1545563E-01 -7.9368520E-01 3.9565047E-01 -1.1800454E-01 32 5.4183049E-06 -4.2584882E-04 -1.4929746E-01 7.6781158E-03 -1.8182793E-02 4.8838505E-03 33 3.3433944E-06 2.8261742E-05 -1.7388025E-02 7.8490235E-01 -5.7162186E-01 1.8419630E-01 34 6.0652639E-07 -1.5798055E-04 3.1703991E-03 5.5860221E-01 -6.6760958E-01 2.3283193E-01 35 1.0209733E-07 9.1118061E-05 -3.5872826E-03 7.4776731E-02 5.3100573E-02 -3.4989196E-02 36 -4.4731779E-07 -5.7176218E-05 2.8910929E-03 1.5524630E-02 6.4748165E-01 -2.7159908E-01 37 1.3330438E-07 4.7936809E-05 -2.0763912E-03 -7.7138404E-03 5.7398979E-01 -3.6469903E-01 38 -1.7569067E-07 -3.2304265E-05 1.5755593E-03 6.6307735E-03 1.3152936E-01 -1.9377640E-01 39 1.1547173E-07 2.3070270E-05 -1.1211145E-03 -4.7106791E-03 1.7375146E-02 1.2923479E-01 40 -8.0052110E-08 -1.5486972E-05 7.6339343E-04 3.2632411E-03 -5.5633527E-03 4.4549014E-01 41 5.0214482E-08 9.6062110E-06 -4.7660980E-04 -2.0582612E-03 4.0880384E-03 4.9703734E-01 42 -2.7575291E-08 -5.1251846E-06 2.5555491E-04 1.1119482E-03 -2.2789931E-03 1.9837558E-01 43 1.1581108E-08 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-1.1280518E-07 -4.6965440E-04 67 -5.0536140E-08 1.3344812E-07 -1.8476533E-04 68 2.6945335E-08 -5.4264979E-08 -4.1029574E-05 69 -1.3568009E-08 3.1001780E-08 -3.4747992E-06 70 5.9481692E-09 -1.3404390E-08 -4.9853460E-08 71 -2.0238599E-09 4.5212203E-09 -2.1878586E-09 72 3.9533185E-10 -8.6431861E-10 3.8972141E-10 RADIAL MOMENTS Sym Orb S+ 1 8.50995E+03 6.20121E+01 2.50633E-02 8.53490E-04 3.67819E-05 1.91975E-06 2 1.02774E+03 1.46101E+01 1.06860E-01 1.35350E-02 1.95274E-03 3.17336E-04 3 2.13842E+02 5.27927E+00 2.83566E-01 9.20116E-02 3.28976E-02 1.28510E-02 4 4.80235E+01 2.15793E+00 6.53567E-01 4.81190E-01 3.86270E-01 3.35537E-01 5 8.15609E+00 8.34563E-01 1.57285E+00 2.77290E+00 5.35347E+00 1.12600E+01 6 7.24765E-01 2.63466E-01 4.72168E+00 2.53140E+01 1.51791E+02 1.01243E+03 P- 1 3.27387E+02 1.45520E+01 9.00050E-02 9.98335E-03 1.31738E-03 2.01948E-04 2 6.83117E+01 5.18061E+00 2.73863E-01 8.71498E-02 3.08867E-02 1.20755E-02 3 1.49545E+01 2.05214E+00 6.74979E-01 5.17183E-01 4.34948E-01 3.98617E-01 4 2.31304E+00 7.40708E-01 1.75957E+00 3.50039E+00 7.71178E+00 1.87539E+01 P+ 1 2.38848E+02 1.32410E+01 9.60609E-02 1.12423E-02 1.55632E-03 2.49415E-04 2 5.05250E+01 4.85801E+00 2.85592E-01 9.45792E-02 3.48524E-02 1.41559E-02 3 1.12344E+01 1.95344E+00 7.00113E-01 5.56244E-01 4.85089E-01 4.61056E-01 4 1.73710E+00 7.05436E-01 1.83511E+00 3.80949E+00 8.76873E+00 2.23152E+01 D- 1 2.77853E+01 4.70744E+00 2.56955E-01 7.78766E-02 2.73164E-02 1.09265E-02 2 5.43198E+00 1.72902E+00 7.62483E-01 6.72815E-01 6.66052E-01 7.34922E-01 3 4.65899E-01 4.52103E-01 2.86513E+00 9.72081E+00 3.84993E+01 1.76673E+02 D+ 1 2.66179E+01 4.62498E+00 2.60657E-01 7.99963E-02 2.83853E-02 1.14784E-02 2 5.20430E+00 1.70301E+00 7.72001E-01 6.89496E-01 6.90850E-01 7.71548E-01 3 4.42899E-01 4.44116E-01 2.91106E+00 1.00301E+01 4.03220E+01 1.87712E+02 ***************************************************************************************** ***************************************************************************************** Ce [Xe]6s(2)4f(1)5d(1) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 58.0 Atomic Mass = 140.0 Nuclear Radius = 1.198082E-04 Speed of Light = 137.0359955 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 = -8.86106897410204E+03 Mass Energy = -8.86030223131024E+03 Kinetic Energy = 1.83660449319298E+04 Potential Energy = -1.83668116747216E+04 NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 2.4700000E+08 1.0000000E+00 1.0000000E+00 2 1.3984373E+08 1.0000000E+00 1.0000000E+00 3 7.9175181E+07 1.0000000E+00 1.0000000E+00 4 4.4826530E+07 1.0000000E+00 1.0000000E+00 5 2.5379390E+07 1.0000000E+00 1.0000000E+00 6 1.4369023E+07 1.0000000E+00 1.0000000E+00 7 8.1352946E+06 1.0000000E+00 1.0000000E+00 8 4.6059513E+06 1.0000000E+00 1.0000000E+00 9 2.6077466E+06 1.0000000E+00 1.0000000E+00 10 1.4764252E+06 1.0000000E+00 1.0000000E+00 11 8.3590612E+05 1.0000000E+00 1.0000000E+00 12 4.7326410E+05 1.0000000E+00 1.0000000E+00 13 2.6794744E+05 1.0000000E+00 1.0000000E+00 14 1.5170352E+05 1.0000000E+00 1.0000000E+00 15 8.5889827E+04 1.0000000E+00 1.0000000E+00 16 4.8628154E+04 1.0000000E+00 1.0000000E+00 17 2.7531751E+04 1.0000000E+00 1.0000000E+00 18 1.5587623E+04 1.0000000E+00 1.0000000E+00 19 8.8252283E+03 1.0000000E+00 1.0000000E+00 20 4.9965703E+03 1.0000000E+00 1.0000000E+00 21 2.8289030E+03 1.0000000E+00 1.0000000E+00 22 1.6016371E+03 1.0000000E+00 1.0000000E+00 23 9.0679719E+02 1.0000000E+00 1.0000000E+00 24 5.1340042E+02 1.0000000E+00 1.0000000E+00 25 2.9067138E+02 1.0000000E+00 1.0000000E+00 26 1.6456911E+02 1.0000000E+00 1.0000000E+00 27 9.3173924E+01 1.0000000E+00 1.0000000E+00 28 5.2752184E+01 1.0000000E+00 1.0000000E+00 29 2.9866649E+01 1.0000000E+00 1.0000000E+00 30 1.6909570E+01 1.0000000E+00 1.0000000E+00 31 9.5736734E+00 1.0000000E+00 1.0000000E+00 32 5.4203167E+00 1.0000000E+00 1.0000000E+00 33 3.0688151E+00 1.0000000E+00 1.0000000E+00 34 1.7374678E+00 1.0000000E+00 1.0000000E+00 35 9.8370036E-01 1.0000000E+00 1.0000000E+00 36 5.5694061E-01 1.0000000E+00 1.0000000E+00 37 3.1532248E-01 1.0000000E+00 1.0000000E+00 38 1.7852580E-01 1.0000000E+00 1.0000000E+00 39 1.0107577E-01 1.0000000E+00 1.0000000E+00 40 5.7225962E-02 1.0000000E+00 1.0000000E+00 41 3.2399564E-02 1.0000000E+00 1.0000000E+00 42 1.8343627E-02 1.0000000E+00 1.0000000E+00 43 1.0385592E-02 1.0000000E+00 1.0000000E+00 44 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.3985048E+08 1.0000000E+00 1.0000000E+00 3 7.8389406E+07 1.0000000E+00 1.0000000E+00 4 4.3939063E+07 1.0000000E+00 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1.0000000E+00 1.0000000E+00 23 7.7078394E-01 1.0000000E+00 1.0000000E+00 24 5.0161887E-01 1.0000000E+00 1.0000000E+00 25 3.2644880E-01 1.0000000E+00 1.0000000E+00 26 2.1244978E-01 1.0000000E+00 1.0000000E+00 27 1.3826030E-01 1.0000000E+00 1.0000000E+00 28 8.9978489E-02 1.0000000E+00 1.0000000E+00 29 5.8557147E-02 1.0000000E+00 1.0000000E+00 30 3.8108435E-02 1.0000000E+00 1.0000000E+00 31 2.4800608E-02 1.0000000E+00 1.0000000E+00 32 1.6140000E-02 1.0000000E+00 1.0000000E+00 F+ 1 7.7500000E+03 1.0000000E+00 1.0000000E+00 2 5.0688668E+03 1.0000000E+00 1.0000000E+00 3 3.3152788E+03 1.0000000E+00 1.0000000E+00 4 2.1683493E+03 1.0000000E+00 1.0000000E+00 5 1.4182031E+03 1.0000000E+00 1.0000000E+00 6 9.2757194E+02 1.0000000E+00 1.0000000E+00 7 6.0667595E+02 1.0000000E+00 1.0000000E+00 8 3.9679479E+02 1.0000000E+00 1.0000000E+00 9 2.5952257E+02 1.0000000E+00 1.0000000E+00 10 1.6974005E+02 1.0000000E+00 1.0000000E+00 11 1.1101803E+02 1.0000000E+00 1.0000000E+00 12 7.2611043E+01 1.0000000E+00 1.0000000E+00 13 4.7491059E+01 1.0000000E+00 1.0000000E+00 14 3.1061401E+01 1.0000000E+00 1.0000000E+00 15 2.0315626E+01 1.0000000E+00 1.0000000E+00 16 1.3287381E+01 1.0000000E+00 1.0000000E+00 17 8.6905763E+00 1.0000000E+00 1.0000000E+00 18 5.6840482E+00 1.0000000E+00 1.0000000E+00 19 3.7176366E+00 1.0000000E+00 1.0000000E+00 20 2.4315103E+00 1.0000000E+00 1.0000000E+00 21 1.5903228E+00 1.0000000E+00 1.0000000E+00 22 1.0401464E+00 1.0000000E+00 1.0000000E+00 23 6.8030498E-01 1.0000000E+00 1.0000000E+00 24 4.4495166E-01 1.0000000E+00 1.0000000E+00 25 2.9101945E-01 1.0000000E+00 1.0000000E+00 26 1.9034049E-01 1.0000000E+00 1.0000000E+00 27 1.2449169E-01 1.0000000E+00 1.0000000E+00 28 8.1423459E-02 1.0000000E+00 1.0000000E+00 29 5.3254797E-02 1.0000000E+00 1.0000000E+00 30 3.4831158E-02 1.0000000E+00 1.0000000E+00 31 2.2781226E-02 1.0000000E+00 1.0000000E+00 32 1.4900000E-02 1.0000000E+00 1.0000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -1.4949178E+03 -2.4333979E+02 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8.3791262E-04 66 6.2632280E-08 -2.4504092E-07 4.5685035E-04 67 -3.6291700E-08 2.0378570E-07 1.7865382E-04 68 1.9336269E-08 -9.4595525E-08 3.9402131E-05 69 -9.7825768E-09 5.0928645E-08 3.2827405E-06 70 4.3105514E-09 -2.2124039E-08 5.3338528E-08 71 -1.4778020E-09 7.4438026E-09 -4.2500058E-10 72 2.9182634E-10 -1.4198946E-09 1.2773295E-10 4F- -5.4139384E-01 ------------ *** Large-Component *** 1 2.2420472E-07 2 -2.4410694E-07 3 9.1056487E-07 4 1.7757749E-07 5 3.1525914E-06 6 5.8438230E-06 7 1.9568608E-05 8 5.3390111E-05 9 1.5390939E-04 10 4.2122320E-04 11 1.1182715E-03 12 2.8931285E-03 13 7.0502287E-03 14 1.5335217E-02 15 2.9856765E-02 16 5.5193546E-02 17 9.3217181E-02 18 1.3500424E-01 19 1.7032469E-01 20 1.9257342E-01 21 1.9435218E-01 22 1.7421620E-01 23 1.3986291E-01 24 1.0010696E-01 25 6.2087772E-02 26 3.2141764E-02 27 1.3267378E-02 28 4.0288476E-03 29 7.8906141E-04 30 8.6195744E-05 31 5.3791316E-06 32 1.3917791E-07 *** Small-Component *** 33 6.1250092E-08 34 -1.6684327E-08 35 2.0857657E-07 36 2.4237985E-07 37 8.4937303E-07 38 1.9077293E-06 39 4.8263090E-06 40 1.1711796E-05 41 2.7771259E-05 42 6.3194792E-05 43 1.3724660E-04 44 2.8963989E-04 45 5.7321467E-04 46 1.0106911E-03 47 1.5919623E-03 48 2.3781688E-03 49 3.2437509E-03 50 3.7926828E-03 51 3.8618303E-03 52 3.5232999E-03 53 2.8689966E-03 54 2.0748840E-03 55 1.3438557E-03 56 7.7598126E-04 57 3.8825383E-04 58 1.6214226E-04 59 5.3989056E-05 60 1.3222685E-05 61 2.0885842E-06 62 1.8184829E-07 63 9.7773043E-09 64 -6.8698997E-10 4F+ -5.3101810E-01 ------------ *** Large-Component *** 1 9.6071461E-08 2 -4.2412355E-08 3 5.1453993E-07 4 6.4946351E-07 5 3.1137144E-06 6 8.2004199E-06 7 2.6156608E-05 8 7.6237480E-05 9 2.2038639E-04 10 6.0135275E-04 11 1.5881366E-03 12 4.0314959E-03 13 9.4211072E-03 14 1.9473540E-02 15 3.6942400E-02 16 6.6380009E-02 17 1.0590242E-01 18 1.4534033E-01 19 1.7673887E-01 20 1.9326633E-01 21 1.8826906E-01 22 1.6371857E-01 23 1.2821006E-01 24 8.9452638E-02 25 5.3852973E-02 26 2.6969908E-02 27 1.0693526E-02 28 3.0761631E-03 29 5.5848158E-04 30 5.6952187E-05 31 3.0497662E-06 32 1.3511854E-07 *** Small-Component *** 33 7.3693248E-08 34 -1.9617089E-08 35 2.7418759E-07 36 3.1906990E-07 37 1.1788983E-06 38 2.6080029E-06 39 6.7638641E-06 40 1.6160849E-05 41 3.8052457E-05 42 8.4509310E-05 43 1.8130410E-04 44 3.7354817E-04 45 7.0763996E-04 46 1.1846485E-03 47 1.8192947E-03 48 2.6457476E-03 49 3.4152429E-03 50 3.7915238E-03 51 3.7293272E-03 52 3.2983967E-03 53 2.5986901E-03 54 1.8276390E-03 55 1.1575129E-03 56 6.5313944E-04 57 3.1800165E-04 58 1.2879689E-04 59 4.1300125E-05 60 9.6083037E-06 61 1.4107274E-06 62 1.1635847E-07 63 5.0338382E-09 64 1.8170112E-10 RADIAL MOMENTS Sym Orb S+ 1 8.91350E+03 6.33411E+01 2.45685E-02 8.20596E-04 3.46972E-05 1.77713E-06 2 1.08358E+03 1.49529E+01 1.04627E-01 1.29789E-02 1.83393E-03 2.91872E-04 3 2.26893E+02 5.41442E+00 2.77087E-01 8.78614E-02 3.06930E-02 1.17120E-02 4 5.13927E+01 2.21974E+00 6.36810E-01 4.56901E-01 3.57401E-01 3.02497E-01 5 8.69135E+00 8.56038E-01 1.53489E+00 2.64163E+00 4.98092E+00 1.02368E+01 6 7.53070E-01 2.67581E-01 4.64866E+00 2.45553E+01 1.45201E+02 9.55853E+02 P- 1 3.44863E+02 1.48941E+01 8.80434E-02 9.55672E-03 1.23425E-03 1.85186E-04 2 7.24701E+01 5.31605E+00 2.67311E-01 8.30379E-02 2.87225E-02 1.09573E-02 3 1.60115E+01 2.11366E+00 6.56629E-01 4.89538E-01 4.00555E-01 3.57130E-01 4 2.45906E+00 7.60004E-01 1.71626E+00 3.33184E+00 7.16768E+00 1.70315E+01 P+ 1 2.48351E+02 1.35015E+01 9.42037E-02 1.08109E-02 1.46735E-03 2.30532E-04 2 5.29250E+01 4.97229E+00 2.79181E-01 9.03813E-02 3.25503E-02 1.29174E-02 3 1.18761E+01 2.00769E+00 6.82056E-01 5.28016E-01 4.48652E-01 4.15445E-01 4 1.82123E+00 7.21971E-01 1.79378E+00 3.64183E+00 8.20428E+00 2.04497E+01 D- 1 2.91639E+01 4.82371E+00 2.50641E-01 7.40618E-02 2.53180E-02 9.86670E-03 2 5.77803E+00 1.78375E+00 7.39606E-01 6.33162E-01 6.08063E-01 6.50857E-01 3 4.82951E-01 4.60440E-01 2.81741E+00 9.42516E+00 3.69083E+01 1.67862E+02 D+ 1 2.78930E+01 4.73610E+00 2.54382E-01 7.61497E-02 2.63439E-02 1.03827E-02 2 5.52605E+00 1.75583E+00 7.49195E-01 6.49473E-01 6.31602E-01 6.84609E-01 3 4.57779E-01 4.51814E-01 2.86542E+00 9.74428E+00 3.87692E+01 1.79040E+02 F- 1 2.03842E+00 1.24769E+00 1.03647E+00 1.37222E+00 2.28720E+00 4.71778E+00 F+ 1 2.00825E+00 1.23862E+00 1.04441E+00 1.39433E+00 2.34568E+00 4.88798E+00 ***************************************************************************************** ***************************************************************************************** Pr [Xe]6s(2)4f(3) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 59.0 Atomic Mass = 141.0 Nuclear Radius = 1.200597E-04 Speed of Light = 137.0359955 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 0.05494505 0.0 0.0 0.0 0.0 0.0 3.0 0.0 2 0.32967033 0.0 0.0 0.0 0.0 0.0 2.0 1.0 3 0.46153846 0.0 0.0 0.0 0.0 0.0 1.0 2.0 4 0.15384615 0.0 0.0 0.0 0.0 0.0 0.0 3.0 ENERGIES Total Energy = -9.23814564352113E+03 Mass Energy = -9.23729401928984E+03 Kinetic Energy = 1.91726421198548E+04 Potential Energy = -1.91734937440861E+04 NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 2.4700000E+08 1.0000000E+00 1.0000000E+00 2 1.3984373E+08 1.0000000E+00 1.0000000E+00 3 7.9175181E+07 1.0000000E+00 1.0000000E+00 4 4.4826530E+07 1.0000000E+00 1.0000000E+00 5 2.5379390E+07 1.0000000E+00 1.0000000E+00 6 1.4369023E+07 1.0000000E+00 1.0000000E+00 7 8.1352946E+06 1.0000000E+00 1.0000000E+00 8 4.6059513E+06 1.0000000E+00 1.0000000E+00 9 2.6077466E+06 1.0000000E+00 1.0000000E+00 10 1.4764252E+06 1.0000000E+00 1.0000000E+00 11 8.3590612E+05 1.0000000E+00 1.0000000E+00 12 4.7326410E+05 1.0000000E+00 1.0000000E+00 13 2.6794744E+05 1.0000000E+00 1.0000000E+00 14 1.5170352E+05 1.0000000E+00 1.0000000E+00 15 8.5889827E+04 1.0000000E+00 1.0000000E+00 16 4.8628154E+04 1.0000000E+00 1.0000000E+00 17 2.7531751E+04 1.0000000E+00 1.0000000E+00 18 1.5587623E+04 1.0000000E+00 1.0000000E+00 19 8.8252283E+03 1.0000000E+00 1.0000000E+00 20 4.9965703E+03 1.0000000E+00 1.0000000E+00 21 2.8289030E+03 1.0000000E+00 1.0000000E+00 22 1.6016371E+03 1.0000000E+00 1.0000000E+00 23 9.0679719E+02 1.0000000E+00 1.0000000E+00 24 5.1340042E+02 1.0000000E+00 1.0000000E+00 25 2.9067138E+02 1.0000000E+00 1.0000000E+00 26 1.6456911E+02 1.0000000E+00 1.0000000E+00 27 9.3173924E+01 1.0000000E+00 1.0000000E+00 28 5.2752184E+01 1.0000000E+00 1.0000000E+00 29 2.9866649E+01 1.0000000E+00 1.0000000E+00 30 1.6909570E+01 1.0000000E+00 1.0000000E+00 31 9.5736734E+00 1.0000000E+00 1.0000000E+00 32 5.4203167E+00 1.0000000E+00 1.0000000E+00 33 3.0688151E+00 1.0000000E+00 1.0000000E+00 34 1.7374678E+00 1.0000000E+00 1.0000000E+00 35 9.8370036E-01 1.0000000E+00 1.0000000E+00 36 5.5694061E-01 1.0000000E+00 1.0000000E+00 37 3.1532248E-01 1.0000000E+00 1.0000000E+00 38 1.7852580E-01 1.0000000E+00 1.0000000E+00 39 1.0107577E-01 1.0000000E+00 1.0000000E+00 40 5.7225962E-02 1.0000000E+00 1.0000000E+00 41 3.2399564E-02 1.0000000E+00 1.0000000E+00 42 1.8343627E-02 1.0000000E+00 1.0000000E+00 43 1.0385592E-02 1.0000000E+00 1.0000000E+00 44 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.3985048E+08 1.0000000E+00 1.0000000E+00 3 7.8389406E+07 1.0000000E+00 1.0000000E+00 4 4.3939063E+07 1.0000000E+00 1.0000000E+00 5 2.4628854E+07 1.0000000E+00 1.0000000E+00 6 1.3805038E+07 1.0000000E+00 1.0000000E+00 7 7.7380410E+06 1.0000000E+00 1.0000000E+00 8 4.3373497E+06 1.0000000E+00 1.0000000E+00 9 2.4311841E+06 1.0000000E+00 1.0000000E+00 10 1.3627345E+06 1.0000000E+00 1.0000000E+00 11 7.6384401E+05 1.0000000E+00 1.0000000E+00 12 4.2815211E+05 1.0000000E+00 1.0000000E+00 13 2.3998909E+05 1.0000000E+00 1.0000000E+00 14 1.3451940E+05 1.0000000E+00 1.0000000E+00 15 7.5401213E+04 1.0000000E+00 1.0000000E+00 16 4.2264112E+04 1.0000000E+00 1.0000000E+00 17 2.3690005E+04 1.0000000E+00 1.0000000E+00 18 1.3278792E+04 1.0000000E+00 1.0000000E+00 19 7.4430679E+03 1.0000000E+00 1.0000000E+00 20 4.1720105E+03 1.0000000E+00 1.0000000E+00 21 2.3385077E+03 1.0000000E+00 1.0000000E+00 22 1.3107873E+03 1.0000000E+00 1.0000000E+00 23 7.3472638E+02 1.0000000E+00 1.0000000E+00 24 4.1183101E+02 1.0000000E+00 1.0000000E+00 25 2.3084074E+02 1.0000000E+00 1.0000000E+00 26 1.2939154E+02 1.0000000E+00 1.0000000E+00 27 7.2526928E+01 1.0000000E+00 1.0000000E+00 28 4.0653009E+01 1.0000000E+00 1.0000000E+00 29 2.2786945E+01 1.0000000E+00 1.0000000E+00 30 1.2772606E+01 1.0000000E+00 1.0000000E+00 31 7.1593392E+00 1.0000000E+00 1.0000000E+00 32 4.0129740E+00 1.0000000E+00 1.0000000E+00 33 2.2493641E+00 1.0000000E+00 1.0000000E+00 34 1.2608203E+00 1.0000000E+00 1.0000000E+00 35 7.0671871E-01 1.0000000E+00 1.0000000E+00 36 3.9613207E-01 1.0000000E+00 1.0000000E+00 37 2.2204112E-01 1.0000000E+00 1.0000000E+00 38 1.2445915E-01 1.0000000E+00 1.0000000E+00 39 6.9762212E-02 1.0000000E+00 1.0000000E+00 40 3.9103322E-02 1.0000000E+00 1.0000000E+00 41 2.1918310E-02 1.0000000E+00 1.0000000E+00 42 1.2285716E-02 1.0000000E+00 1.0000000E+00 43 6.8864261E-03 1.0000000E+00 1.0000000E+00 44 3.8600000E-03 1.0000000E+00 1.0000000E+00 P+ 1 2.0100000E+07 1.0000000E+00 1.0000000E+00 2 1.1922144E+07 1.0000000E+00 1.0000000E+00 3 7.0715183E+06 1.0000000E+00 1.0000000E+00 4 4.1944110E+06 1.0000000E+00 1.0000000E+00 5 2.4878792E+06 1.0000000E+00 1.0000000E+00 6 1.4756644E+06 1.0000000E+00 1.0000000E+00 7 8.7527777E+05 1.0000000E+00 1.0000000E+00 8 5.1916357E+05 1.0000000E+00 1.0000000E+00 9 3.0793745E+05 1.0000000E+00 1.0000000E+00 10 1.8265048E+05 1.0000000E+00 1.0000000E+00 11 1.0833758E+05 1.0000000E+00 1.0000000E+00 12 6.4259514E+04 1.0000000E+00 1.0000000E+00 13 3.8114984E+04 1.0000000E+00 1.0000000E+00 14 2.2607579E+04 1.0000000E+00 1.0000000E+00 15 1.3409493E+04 1.0000000E+00 1.0000000E+00 16 7.9537267E+03 1.0000000E+00 1.0000000E+00 17 4.7176853E+03 1.0000000E+00 1.0000000E+00 18 2.7982549E+03 1.0000000E+00 1.0000000E+00 19 1.6597611E+03 1.0000000E+00 1.0000000E+00 20 9.8447319E+02 1.0000000E+00 1.0000000E+00 21 5.8393190E+02 1.0000000E+00 1.0000000E+00 22 3.4635424E+02 1.0000000E+00 1.0000000E+00 23 2.0543707E+02 1.0000000E+00 1.0000000E+00 24 1.2185325E+02 1.0000000E+00 1.0000000E+00 25 7.2276219E+01 1.0000000E+00 1.0000000E+00 26 4.2870025E+01 1.0000000E+00 1.0000000E+00 27 2.5427991E+01 1.0000000E+00 1.0000000E+00 28 1.5082396E+01 1.0000000E+00 1.0000000E+00 29 8.9459951E+00 1.0000000E+00 1.0000000E+00 30 5.3062409E+00 1.0000000E+00 1.0000000E+00 31 3.1473517E+00 1.0000000E+00 1.0000000E+00 32 1.8668249E+00 1.0000000E+00 1.0000000E+00 33 1.1072913E+00 1.0000000E+00 1.0000000E+00 34 6.5678041E-01 1.0000000E+00 1.0000000E+00 35 3.8956371E-01 1.0000000E+00 1.0000000E+00 36 2.3106640E-01 1.0000000E+00 1.0000000E+00 37 1.3705507E-01 1.0000000E+00 1.0000000E+00 38 8.1293050E-02 1.0000000E+00 1.0000000E+00 39 4.8218281E-02 1.0000000E+00 1.0000000E+00 40 2.8600263E-02 1.0000000E+00 1.0000000E+00 41 1.6964003E-02 1.0000000E+00 1.0000000E+00 42 1.0062054E-02 1.0000000E+00 1.0000000E+00 43 5.9682218E-03 1.0000000E+00 1.0000000E+00 44 3.5400000E-03 1.0000000E+00 1.0000000E+00 D- 1 8.2000000E+05 1.0000000E+00 1.0000000E+00 2 4.7626832E+05 1.0000000E+00 1.0000000E+00 3 2.7662380E+05 1.0000000E+00 1.0000000E+00 4 1.6066726E+05 1.0000000E+00 1.0000000E+00 5 9.3317959E+04 1.0000000E+00 1.0000000E+00 6 5.4200473E+04 1.0000000E+00 1.0000000E+00 7 3.1480449E+04 1.0000000E+00 1.0000000E+00 8 1.8284318E+04 1.0000000E+00 1.0000000E+00 9 1.0619807E+04 1.0000000E+00 1.0000000E+00 10 6.1681434E+03 1.0000000E+00 1.0000000E+00 11 3.5825504E+03 1.0000000E+00 1.0000000E+00 12 2.0807991E+03 1.0000000E+00 1.0000000E+00 13 1.2085594E+03 1.0000000E+00 1.0000000E+00 14 7.0194945E+02 1.0000000E+00 1.0000000E+00 15 4.0770279E+02 1.0000000E+00 1.0000000E+00 16 2.3679991E+02 1.0000000E+00 1.0000000E+00 17 1.3753695E+02 1.0000000E+00 1.0000000E+00 18 7.9883525E+01 1.0000000E+00 1.0000000E+00 19 4.6397552E+01 1.0000000E+00 1.0000000E+00 20 2.6948395E+01 1.0000000E+00 1.0000000E+00 21 1.5652033E+01 1.0000000E+00 1.0000000E+00 22 9.0909360E+00 1.0000000E+00 1.0000000E+00 23 5.2801523E+00 1.0000000E+00 1.0000000E+00 24 3.0667918E+00 1.0000000E+00 1.0000000E+00 25 1.7812388E+00 1.0000000E+00 1.0000000E+00 26 1.0345702E+00 1.0000000E+00 1.0000000E+00 27 6.0089395E-01 1.0000000E+00 1.0000000E+00 28 3.4900823E-01 1.0000000E+00 1.0000000E+00 29 2.0270923E-01 1.0000000E+00 1.0000000E+00 30 1.1773657E-01 1.0000000E+00 1.0000000E+00 31 6.8383167E-02 1.0000000E+00 1.0000000E+00 32 3.9717971E-02 1.0000000E+00 1.0000000E+00 33 2.3068794E-02 1.0000000E+00 1.0000000E+00 34 1.3398703E-02 1.0000000E+00 1.0000000E+00 35 7.7821678E-03 1.0000000E+00 1.0000000E+00 36 4.5200000E-03 1.0000000E+00 1.0000000E+00 D+ 1 1.6500000E+05 1.0000000E+00 1.0000000E+00 2 9.9977070E+04 1.0000000E+00 1.0000000E+00 3 6.0578269E+04 1.0000000E+00 1.0000000E+00 4 3.6705684E+04 1.0000000E+00 1.0000000E+00 5 2.2240768E+04 1.0000000E+00 1.0000000E+00 6 1.3476162E+04 1.0000000E+00 1.0000000E+00 7 8.1654983E+03 1.0000000E+00 1.0000000E+00 8 4.9476521E+03 1.0000000E+00 1.0000000E+00 9 2.9978894E+03 1.0000000E+00 1.0000000E+00 10 1.8164861E+03 1.0000000E+00 1.0000000E+00 11 1.1006482E+03 1.0000000E+00 1.0000000E+00 12 6.6690656E+02 1.0000000E+00 1.0000000E+00 13 4.0409311E+02 1.0000000E+00 1.0000000E+00 14 2.4484876E+02 1.0000000E+00 1.0000000E+00 15 1.4835916E+02 1.0000000E+00 1.0000000E+00 16 8.9894024E+01 1.0000000E+00 1.0000000E+00 17 5.4468734E+01 1.0000000E+00 1.0000000E+00 18 3.3003784E+01 1.0000000E+00 1.0000000E+00 19 1.9997707E+01 1.0000000E+00 1.0000000E+00 20 1.2117043E+01 1.0000000E+00 1.0000000E+00 21 7.3419786E+00 1.0000000E+00 1.0000000E+00 22 4.4486637E+00 1.0000000E+00 1.0000000E+00 23 2.6955416E+00 1.0000000E+00 1.0000000E+00 24 1.6332869E+00 1.0000000E+00 1.0000000E+00 25 9.8964389E-01 1.0000000E+00 1.0000000E+00 26 5.9964664E-01 1.0000000E+00 1.0000000E+00 27 3.6333887E-01 1.0000000E+00 1.0000000E+00 28 2.2015488E-01 1.0000000E+00 1.0000000E+00 29 1.3339661E-01 1.0000000E+00 1.0000000E+00 30 8.0827890E-02 1.0000000E+00 1.0000000E+00 31 4.8975367E-02 1.0000000E+00 1.0000000E+00 32 2.9675234E-02 1.0000000E+00 1.0000000E+00 33 1.7980866E-02 1.0000000E+00 1.0000000E+00 34 1.0894996E-02 1.0000000E+00 1.0000000E+00 35 6.6015138E-03 1.0000000E+00 1.0000000E+00 36 4.0000000E-03 1.0000000E+00 1.0000000E+00 F- 1 9.8000000E+03 1.0000000E+00 1.0000000E+00 2 6.3777470E+03 1.0000000E+00 1.0000000E+00 3 4.1505772E+03 1.0000000E+00 1.0000000E+00 4 2.7011562E+03 1.0000000E+00 1.0000000E+00 5 1.7578868E+03 1.0000000E+00 1.0000000E+00 6 1.1440160E+03 1.0000000E+00 1.0000000E+00 7 7.4451478E+02 1.0000000E+00 1.0000000E+00 8 4.8452315E+02 1.0000000E+00 1.0000000E+00 9 3.1532307E+02 1.0000000E+00 1.0000000E+00 10 2.0520926E+02 1.0000000E+00 1.0000000E+00 11 1.3354824E+02 1.0000000E+00 1.0000000E+00 12 8.6911924E+01 1.0000000E+00 1.0000000E+00 13 5.6561455E+01 1.0000000E+00 1.0000000E+00 14 3.6809658E+01 1.0000000E+00 1.0000000E+00 15 2.3955376E+01 1.0000000E+00 1.0000000E+00 16 1.5589931E+01 1.0000000E+00 1.0000000E+00 17 1.0145779E+01 1.0000000E+00 1.0000000E+00 18 6.6027768E+00 1.0000000E+00 1.0000000E+00 19 4.2970244E+00 1.0000000E+00 1.0000000E+00 20 2.7964627E+00 1.0000000E+00 1.0000000E+00 21 1.8199114E+00 1.0000000E+00 1.0000000E+00 22 1.1843810E+00 1.0000000E+00 1.0000000E+00 23 7.7078394E-01 1.0000000E+00 1.0000000E+00 24 5.0161887E-01 1.0000000E+00 1.0000000E+00 25 3.2644880E-01 1.0000000E+00 1.0000000E+00 26 2.1244978E-01 1.0000000E+00 1.0000000E+00 27 1.3826030E-01 1.0000000E+00 1.0000000E+00 28 8.9978489E-02 1.0000000E+00 1.0000000E+00 29 5.8557147E-02 1.0000000E+00 1.0000000E+00 30 3.8108435E-02 1.0000000E+00 1.0000000E+00 31 2.4800608E-02 1.0000000E+00 1.0000000E+00 32 1.6140000E-02 1.0000000E+00 1.0000000E+00 F+ 1 7.7500000E+03 1.0000000E+00 1.0000000E+00 2 5.0688668E+03 1.0000000E+00 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-3.7078230E-03 28 2.3263914E-05 -3.2090005E-04 29 -1.5902525E-05 -2.1206983E-04 30 1.2262120E-05 1.0566877E-04 31 -8.6547489E-06 -8.4474228E-05 32 5.9530792E-06 5.9715504E-05 33 -3.7800870E-06 -3.8655358E-05 34 2.0914411E-06 2.1697312E-05 35 -8.9117000E-07 -9.3328286E-06 36 2.1560646E-07 2.2721424E-06 *** Small-Component *** 37 1.6483366E-07 7.9659505E-08 38 1.4483575E-08 -1.0477503E-08 39 4.7725422E-07 2.5599720E-07 40 8.1700866E-07 3.0541601E-07 41 2.0020262E-06 1.0187644E-06 42 5.0324078E-06 2.1429710E-06 43 1.1202049E-05 5.3316662E-06 44 2.7538070E-05 1.2275061E-05 45 6.2421706E-05 2.8942495E-05 46 1.4644932E-04 6.6433401E-05 47 3.2871302E-04 1.5141712E-04 48 7.3450326E-04 3.3649340E-04 49 1.5608794E-03 7.2162807E-04 50 3.1222876E-03 1.4469357E-03 51 5.6916064E-03 2.6684140E-03 52 9.3370068E-03 4.4315279E-03 53 1.2857370E-02 6.1274768E-03 54 1.4360192E-02 6.6724799E-03 55 1.2298195E-02 5.2383007E-03 56 6.8924691E-03 6.7486918E-04 57 2.2655960E-03 -4.2971993E-03 58 3.9013028E-04 -6.3832657E-03 59 2.9102686E-05 -5.2996071E-03 60 2.9246214E-06 -2.7176394E-03 61 -3.6242921E-07 -8.8518283E-04 62 3.0309717E-07 -1.6961376E-04 63 -1.6955871E-07 -2.1581929E-05 64 1.0917466E-07 -1.4500380E-06 65 -5.8822946E-08 -7.5034177E-07 66 3.5632374E-08 2.9189639E-07 67 -1.9886273E-08 -1.8180037E-07 68 1.0852562E-08 1.0021438E-07 69 -5.5029245E-09 -5.0620085E-08 70 2.4530025E-09 2.2192609E-08 71 -8.5318146E-10 -7.4672956E-09 72 1.7176702E-10 1.4255179E-09 4F- -3.3403479E-01 ------------ *** Large-Component *** 1 2.4666488E-07 2 -2.6957045E-07 3 1.0038477E-06 4 1.8560710E-07 5 3.4735742E-06 6 6.3701591E-06 7 2.1462347E-05 8 5.8202204E-05 9 1.6759685E-04 10 4.5618680E-04 11 1.2094575E-03 12 3.1175689E-03 13 7.5318661E-03 14 1.6178789E-02 15 3.1309689E-02 16 5.7446244E-02 17 9.5031551E-02 18 1.3441054E-01 19 1.6603017E-01 20 1.8437567E-01 21 1.8488596E-01 22 1.6802074E-01 23 1.4041254E-01 24 1.0870757E-01 25 7.6838240E-02 26 4.8198958E-02 27 2.5998035E-02 28 1.1473408E-02 29 3.7417406E-03 30 7.5308960E-04 31 7.1497066E-05 32 2.1971752E-06 *** Small-Component *** 33 6.7790923E-08 34 -1.9585495E-08 35 2.3201784E-07 36 2.6129127E-07 37 9.3895787E-07 38 2.0795677E-06 39 5.2960187E-06 40 1.2768617E-05 41 3.0245596E-05 42 6.8446321E-05 43 1.4844095E-04 44 3.1211775E-04 45 6.1240628E-04 46 1.0663422E-03 47 1.6694508E-03 48 2.4752527E-03 49 3.3069338E-03 50 3.7760361E-03 51 3.7644598E-03 52 3.3733022E-03 53 2.7292433E-03 54 2.0010905E-03 55 1.3491376E-03 56 8.4265566E-04 57 4.8050285E-04 58 2.4315463E-04 59 1.0580399E-04 60 3.7666337E-05 61 9.9096041E-06 62 1.6068829E-06 63 1.2375082E-07 64 2.1704411E-09 4F+ -3.2273671E-01 ------------ *** Large-Component *** 1 1.0561930E-07 2 -4.7946673E-08 3 5.6700491E-07 4 7.0097239E-07 5 3.4164236E-06 6 8.9174016E-06 7 2.8545999E-05 8 8.2767650E-05 9 2.3871476E-04 10 6.4853782E-04 11 1.7104655E-03 12 4.3186637E-03 13 9.9857273E-03 14 2.0422795E-02 15 3.8575692E-02 16 6.8453129E-02 17 1.0675539E-01 18 1.4330819E-01 19 1.7082351E-01 20 1.8402311E-01 21 1.7920936E-01 22 1.5920271E-01 23 1.3109320E-01 24 1.0031139E-01 25 6.9938734E-02 26 4.3193420E-02 27 2.2897161E-02 28 9.8694022E-03 29 3.0955053E-03 30 5.8662104E-04 31 5.0585243E-05 32 1.4084448E-06 *** Small-Component *** 33 8.0806652E-08 34 -2.2406694E-08 35 3.0175681E-07 36 3.4421448E-07 37 1.2925533E-06 38 2.8342505E-06 39 7.3789180E-06 40 1.7540002E-05 41 4.1209333E-05 42 9.1128963E-05 43 1.9526157E-04 44 4.0015437E-04 45 7.5003877E-04 46 1.2423784E-03 47 1.8997552E-03 48 2.7284366E-03 49 3.4427971E-03 50 3.7385496E-03 51 3.6045344E-03 52 3.1406527E-03 53 2.4736334E-03 54 1.7772195E-03 55 1.1835358E-03 56 7.3242010E-04 57 4.1298546E-04 58 2.0627231E-04 59 8.8432096E-05 60 3.0826559E-05 61 7.8193160E-06 62 1.1984119E-06 63 8.3568348E-08 64 1.8833006E-09 RADIAL MOMENTS Sym Orb S+ 1 9.33329E+03 6.46851E+01 2.40893E-02 7.89367E-04 3.27561E-05 1.64683E-06 2 1.14225E+03 1.53011E+01 1.02463E-01 1.24513E-02 1.72352E-03 2.68697E-04 3 2.40650E+02 5.55142E+00 2.70847E-01 8.39562E-02 2.86672E-02 1.06903E-02 4 5.46110E+01 2.27529E+00 6.22431E-01 4.36703E-01 3.34201E-01 2.76887E-01 5 8.73932E+00 8.56338E-01 1.53176E+00 2.63552E+00 4.98131E+00 1.02911E+01 6 6.65076E-01 2.55914E-01 4.83417E+00 2.65658E+01 1.63591E+02 1.12219E+03 P- 1 3.63200E+02 1.52415E+01 8.61432E-02 9.15241E-03 1.15716E-03 1.69972E-04 2 7.68551E+01 5.45336E+00 2.61010E-01 7.91805E-02 2.67428E-02 9.96014E-03 3 1.70050E+01 2.16777E+00 6.41343E-01 4.67323E-01 3.73994E-01 3.26424E-01 4 2.43212E+00 7.54829E-01 1.72470E+00 3.37317E+00 7.33657E+00 1.76869E+01 P+ 1 2.58089E+02 1.37632E+01 9.24077E-02 1.04016E-02 1.38460E-03 2.13309E-04 2 5.53975E+01 5.08727E+00 2.73026E-01 8.64445E-02 3.04424E-02 1.18110E-02 3 1.24385E+01 2.05369E+00 6.67439E-01 5.05974E-01 4.21334E-01 3.82729E-01 4 1.76863E+00 7.13691E-01 1.81049E+00 3.72004E+00 8.51400E+00 2.16429E+01 D- 1 3.05865E+01 4.94070E+00 2.44612E-01 7.05180E-02 2.35132E-02 8.93703E-03 2 6.06027E+00 1.82603E+00 7.23438E-01 6.06789E-01 5.72128E-01 6.02759E-01 D+ 1 2.92046E+01 4.84768E+00 2.48395E-01 7.25778E-02 2.45004E-02 9.42136E-03 2 5.78247E+00 1.79580E+00 7.33405E-01 6.23441E-01 5.95793E-01 6.36266E-01 F- 1 2.01948E+00 1.22832E+00 1.08750E+00 1.57369E+00 2.99505E+00 7.34055E+00 F+ 1 1.98137E+00 1.21630E+00 1.10023E+00 1.61487E+00 3.12583E+00 7.80910E+00 ***************************************************************************************** ***************************************************************************************** Nd [Xe]6s(2)4f(4) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 60.0 Atomic Mass = 142.0 Nuclear Radius = 1.203101E-04 Speed of Light = 137.0359955 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 0.01498501 0.0 0.0 0.0 0.0 0.0 4.0 0.0 2 0.15984016 0.0 0.0 0.0 0.0 0.0 3.0 1.0 3 0.41958042 0.0 0.0 0.0 0.0 0.0 2.0 2.0 4 0.33566434 0.0 0.0 0.0 0.0 0.0 1.0 3.0 5 0.06993007 0.0 0.0 0.0 0.0 0.0 0.0 4.0 ENERGIES Total Energy = -9.62513244966914E+03 Mass Energy = -9.62418709517444E+03 Kinetic Energy = 2.00027295733604E+04 Potential Energy = -2.00036749278551E+04 NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 2.4700000E+08 1.0000000E+00 1.0000000E+00 2 1.3984373E+08 1.0000000E+00 1.0000000E+00 3 7.9175181E+07 1.0000000E+00 1.0000000E+00 4 4.4826530E+07 1.0000000E+00 1.0000000E+00 5 2.5379390E+07 1.0000000E+00 1.0000000E+00 6 1.4369023E+07 1.0000000E+00 1.0000000E+00 7 8.1352946E+06 1.0000000E+00 1.0000000E+00 8 4.6059513E+06 1.0000000E+00 1.0000000E+00 9 2.6077466E+06 1.0000000E+00 1.0000000E+00 10 1.4764252E+06 1.0000000E+00 1.0000000E+00 11 8.3590612E+05 1.0000000E+00 1.0000000E+00 12 4.7326410E+05 1.0000000E+00 1.0000000E+00 13 2.6794744E+05 1.0000000E+00 1.0000000E+00 14 1.5170352E+05 1.0000000E+00 1.0000000E+00 15 8.5889827E+04 1.0000000E+00 1.0000000E+00 16 4.8628154E+04 1.0000000E+00 1.0000000E+00 17 2.7531751E+04 1.0000000E+00 1.0000000E+00 18 1.5587623E+04 1.0000000E+00 1.0000000E+00 19 8.8252283E+03 1.0000000E+00 1.0000000E+00 20 4.9965703E+03 1.0000000E+00 1.0000000E+00 21 2.8289030E+03 1.0000000E+00 1.0000000E+00 22 1.6016371E+03 1.0000000E+00 1.0000000E+00 23 9.0679719E+02 1.0000000E+00 1.0000000E+00 24 5.1340042E+02 1.0000000E+00 1.0000000E+00 25 2.9067138E+02 1.0000000E+00 1.0000000E+00 26 1.6456911E+02 1.0000000E+00 1.0000000E+00 27 9.3173924E+01 1.0000000E+00 1.0000000E+00 28 5.2752184E+01 1.0000000E+00 1.0000000E+00 29 2.9866649E+01 1.0000000E+00 1.0000000E+00 30 1.6909570E+01 1.0000000E+00 1.0000000E+00 31 9.5736734E+00 1.0000000E+00 1.0000000E+00 32 5.4203167E+00 1.0000000E+00 1.0000000E+00 33 3.0688151E+00 1.0000000E+00 1.0000000E+00 34 1.7374678E+00 1.0000000E+00 1.0000000E+00 35 9.8370036E-01 1.0000000E+00 1.0000000E+00 36 5.5694061E-01 1.0000000E+00 1.0000000E+00 37 3.1532248E-01 1.0000000E+00 1.0000000E+00 38 1.7852580E-01 1.0000000E+00 1.0000000E+00 39 1.0107577E-01 1.0000000E+00 1.0000000E+00 40 5.7225962E-02 1.0000000E+00 1.0000000E+00 41 3.2399564E-02 1.0000000E+00 1.0000000E+00 42 1.8343627E-02 1.0000000E+00 1.0000000E+00 43 1.0385592E-02 1.0000000E+00 1.0000000E+00 44 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.3985048E+08 1.0000000E+00 1.0000000E+00 3 7.8389406E+07 1.0000000E+00 1.0000000E+00 4 4.3939063E+07 1.0000000E+00 1.0000000E+00 5 2.4628854E+07 1.0000000E+00 1.0000000E+00 6 1.3805038E+07 1.0000000E+00 1.0000000E+00 7 7.7380410E+06 1.0000000E+00 1.0000000E+00 8 4.3373497E+06 1.0000000E+00 1.0000000E+00 9 2.4311841E+06 1.0000000E+00 1.0000000E+00 10 1.3627345E+06 1.0000000E+00 1.0000000E+00 11 7.6384401E+05 1.0000000E+00 1.0000000E+00 12 4.2815211E+05 1.0000000E+00 1.0000000E+00 13 2.3998909E+05 1.0000000E+00 1.0000000E+00 14 1.3451940E+05 1.0000000E+00 1.0000000E+00 15 7.5401213E+04 1.0000000E+00 1.0000000E+00 16 4.2264112E+04 1.0000000E+00 1.0000000E+00 17 2.3690005E+04 1.0000000E+00 1.0000000E+00 18 1.3278792E+04 1.0000000E+00 1.0000000E+00 19 7.4430679E+03 1.0000000E+00 1.0000000E+00 20 4.1720105E+03 1.0000000E+00 1.0000000E+00 21 2.3385077E+03 1.0000000E+00 1.0000000E+00 22 1.3107873E+03 1.0000000E+00 1.0000000E+00 23 7.3472638E+02 1.0000000E+00 1.0000000E+00 24 4.1183101E+02 1.0000000E+00 1.0000000E+00 25 2.3084074E+02 1.0000000E+00 1.0000000E+00 26 1.2939154E+02 1.0000000E+00 1.0000000E+00 27 7.2526928E+01 1.0000000E+00 1.0000000E+00 28 4.0653009E+01 1.0000000E+00 1.0000000E+00 29 2.2786945E+01 1.0000000E+00 1.0000000E+00 30 1.2772606E+01 1.0000000E+00 1.0000000E+00 31 7.1593392E+00 1.0000000E+00 1.0000000E+00 32 4.0129740E+00 1.0000000E+00 1.0000000E+00 33 2.2493641E+00 1.0000000E+00 1.0000000E+00 34 1.2608203E+00 1.0000000E+00 1.0000000E+00 35 7.0671871E-01 1.0000000E+00 1.0000000E+00 36 3.9613207E-01 1.0000000E+00 1.0000000E+00 37 2.2204112E-01 1.0000000E+00 1.0000000E+00 38 1.2445915E-01 1.0000000E+00 1.0000000E+00 39 6.9762212E-02 1.0000000E+00 1.0000000E+00 40 3.9103322E-02 1.0000000E+00 1.0000000E+00 41 2.1918310E-02 1.0000000E+00 1.0000000E+00 42 1.2285716E-02 1.0000000E+00 1.0000000E+00 43 6.8864261E-03 1.0000000E+00 1.0000000E+00 44 3.8600000E-03 1.0000000E+00 1.0000000E+00 P+ 1 2.0100000E+07 1.0000000E+00 1.0000000E+00 2 1.1922144E+07 1.0000000E+00 1.0000000E+00 3 7.0715183E+06 1.0000000E+00 1.0000000E+00 4 4.1944110E+06 1.0000000E+00 1.0000000E+00 5 2.4878792E+06 1.0000000E+00 1.0000000E+00 6 1.4756644E+06 1.0000000E+00 1.0000000E+00 7 8.7527777E+05 1.0000000E+00 1.0000000E+00 8 5.1916357E+05 1.0000000E+00 1.0000000E+00 9 3.0793745E+05 1.0000000E+00 1.0000000E+00 10 1.8265048E+05 1.0000000E+00 1.0000000E+00 11 1.0833758E+05 1.0000000E+00 1.0000000E+00 12 6.4259514E+04 1.0000000E+00 1.0000000E+00 13 3.8114984E+04 1.0000000E+00 1.0000000E+00 14 2.2607579E+04 1.0000000E+00 1.0000000E+00 15 1.3409493E+04 1.0000000E+00 1.0000000E+00 16 7.9537267E+03 1.0000000E+00 1.0000000E+00 17 4.7176853E+03 1.0000000E+00 1.0000000E+00 18 2.7982549E+03 1.0000000E+00 1.0000000E+00 19 1.6597611E+03 1.0000000E+00 1.0000000E+00 20 9.8447319E+02 1.0000000E+00 1.0000000E+00 21 5.8393190E+02 1.0000000E+00 1.0000000E+00 22 3.4635424E+02 1.0000000E+00 1.0000000E+00 23 2.0543707E+02 1.0000000E+00 1.0000000E+00 24 1.2185325E+02 1.0000000E+00 1.0000000E+00 25 7.2276219E+01 1.0000000E+00 1.0000000E+00 26 4.2870025E+01 1.0000000E+00 1.0000000E+00 27 2.5427991E+01 1.0000000E+00 1.0000000E+00 28 1.5082396E+01 1.0000000E+00 1.0000000E+00 29 8.9459951E+00 1.0000000E+00 1.0000000E+00 30 5.3062409E+00 1.0000000E+00 1.0000000E+00 31 3.1473517E+00 1.0000000E+00 1.0000000E+00 32 1.8668249E+00 1.0000000E+00 1.0000000E+00 33 1.1072913E+00 1.0000000E+00 1.0000000E+00 34 6.5678041E-01 1.0000000E+00 1.0000000E+00 35 3.8956371E-01 1.0000000E+00 1.0000000E+00 36 2.3106640E-01 1.0000000E+00 1.0000000E+00 37 1.3705507E-01 1.0000000E+00 1.0000000E+00 38 8.1293050E-02 1.0000000E+00 1.0000000E+00 39 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-8.7187476E-09 71 4.5647943E-09 3.8011255E-09 72 -4.3384303E-09 9.0299001E-10 3D+ 4D+ -3.7013663E+01 -4.8736560E+00 ------------ ------------ *** Large-Component *** 1 1.1063364E-07 -5.1677378E-08 2 -3.6209319E-08 2.0310426E-08 3 4.4248871E-07 -2.1378396E-07 4 6.0889265E-07 -2.5785191E-07 5 2.2201064E-06 -1.0661371E-06 6 6.1572039E-06 -2.7533371E-06 7 1.7127244E-05 -8.0356972E-06 8 5.1140821E-05 -2.3305901E-05 9 1.4364439E-04 -6.6692793E-05 10 4.2015771E-04 -1.9316397E-04 11 1.1818579E-03 -5.4793853E-04 12 3.3295797E-03 -1.5417927E-03 13 8.9343560E-03 -4.1647946E-03 14 2.2630918E-02 -1.0594220E-02 15 5.2308218E-02 -2.4756468E-02 16 1.0866433E-01 -5.2111719E-02 17 1.8865586E-01 -9.0575749E-02 18 2.6557776E-01 -1.2418796E-01 19 2.8262997E-01 -1.1812643E-01 20 1.9359169E-01 -3.3254971E-03 21 7.7080498E-02 1.8467355E-01 22 1.5723530E-02 3.2420472E-01 23 1.5015434E-03 3.2690529E-01 24 1.8085965E-04 2.0435711E-01 25 1.3944102E-05 8.1219226E-02 26 1.3561863E-05 1.8832930E-02 27 -1.8919239E-06 3.1111075E-03 28 5.1118217E-06 2.4106513E-04 29 -1.8546229E-06 2.1564673E-04 30 1.9139303E-06 -1.1463648E-04 31 -1.2321725E-06 9.0046438E-05 32 8.5181991E-07 -6.3564627E-05 33 -5.3698631E-07 4.1082027E-05 34 2.9599814E-07 -2.3029551E-05 35 -1.2581988E-07 9.8970276E-06 36 3.0413253E-08 -2.4078797E-06 *** Small-Component *** 37 1.7917629E-07 -8.4946095E-08 38 2.1567370E-08 -9.0363165E-11 39 5.0993941E-07 -2.5647408E-07 40 9.1726493E-07 -3.8305459E-07 41 2.1556912E-06 -1.0518712E-06 42 5.5577648E-06 -2.4679625E-06 43 1.2173948E-05 -5.7262835E-06 44 3.0191018E-05 -1.3723338E-05 45 6.7996105E-05 -3.1557829E-05 46 1.5988109E-04 -7.3400880E-05 47 3.5767990E-04 -1.6567477E-04 48 7.9850500E-04 -3.6935109E-04 49 1.6891566E-03 -7.8666827E-04 50 3.3615737E-03 -1.5722247E-03 51 6.0872326E-03 -2.8785858E-03 52 9.8892758E-03 -4.7389845E-03 53 1.3402337E-02 -6.4305789E-03 54 1.4709882E-02 -6.8750560E-03 55 1.2199281E-02 -5.0977842E-03 56 6.5085859E-03 -1.1520550E-04 57 2.0176757E-03 4.8277182E-03 58 3.2043269E-04 6.6000392E-03 59 2.3801436E-05 5.1812589E-03 60 2.2416273E-06 2.5213699E-03 61 1.2704615E-07 7.8006363E-04 62 1.0630100E-07 1.4079001E-04 63 -1.4596170E-08 1.8109718E-05 64 2.5766632E-08 1.0882054E-06 65 -8.4363146E-09 7.6309761E-07 66 6.6199522E-09 -3.1661158E-07 67 -3.5997912E-09 1.9377701E-07 68 2.0782763E-09 -1.0666479E-07 69 -1.1195754E-09 5.3793083E-08 70 5.3918704E-10 -2.3552887E-08 71 -2.0626990E-10 7.9177258E-09 72 4.6593073E-11 -1.5104403E-09 4F- -3.6915931E-01 ------------ *** Large-Component *** 1 2.9045749E-07 2 -3.1884427E-07 3 1.1850794E-06 4 2.0520443E-07 5 4.0990503E-06 6 7.4238416E-06 7 2.5199224E-05 8 6.7866674E-05 9 1.9529053E-04 10 5.2862068E-04 11 1.4001027E-03 12 3.5941383E-03 13 8.6054009E-03 14 1.8260721E-02 15 3.5159818E-02 16 6.3971880E-02 17 1.0355836E-01 18 1.4295525E-01 19 1.7278074E-01 20 1.8756016E-01 21 1.8347648E-01 22 1.6273685E-01 23 1.3284350E-01 24 1.0026187E-01 25 6.8675614E-02 26 4.1370700E-02 27 2.1153781E-02 28 8.6656168E-03 29 2.5370730E-03 30 4.3692226E-04 31 3.3518763E-05 32 8.2963183E-07 *** Small-Component *** 33 8.0345127E-08 34 -2.4748759E-08 35 2.7671598E-07 36 3.0026623E-07 37 1.1123429E-06 38 2.4232605E-06 39 6.2218515E-06 40 1.4889881E-05 41 3.5249255E-05 42 7.9320445E-05 43 1.7184321E-04 44 3.5984049E-04 45 6.9973365E-04 46 1.2036210E-03 47 1.8747598E-03 48 2.7564579E-03 49 3.6037095E-03 50 4.0161275E-03 51 3.9175267E-03 52 3.4315594E-03 53 2.7084261E-03 54 1.9381516E-03 55 1.2764030E-03 56 7.7718303E-04 57 4.2945416E-04 58 2.0870502E-04 59 8.6087489E-05 60 2.8447411E-05 61 6.7186576E-06 62 9.3138027E-07 63 5.8255854E-08 64 2.9382150E-10 4F+ -3.5524800E-01 ------------ *** Large-Component *** 1 -1.2444830E-07 2 5.7676989E-08 3 -6.6890317E-07 4 -8.1381965E-07 5 -4.0150938E-06 6 -1.0408574E-05 7 -3.3392858E-05 8 -9.6380076E-05 9 -2.7722004E-04 10 -7.5025889E-04 11 -1.9757759E-03 12 -4.9599635E-03 13 -1.1344466E-02 14 -2.2976375E-02 15 -4.3223979E-02 16 -7.5665098E-02 17 -1.1527036E-01 18 -1.5127463E-01 19 -1.7654328E-01 20 -1.8583177E-01 21 -1.7663374E-01 22 -1.5334988E-01 23 -1.2347512E-01 24 -9.2137371E-02 25 -6.2255918E-02 26 -3.6934179E-02 27 -1.8561914E-02 28 -7.4251173E-03 29 -2.0888893E-03 30 -3.3883610E-04 31 -2.3448314E-05 32 -5.5639269E-07 *** Small-Component *** 33 -9.4954825E-08 34 2.7099850E-08 35 -3.5543999E-07 36 -3.9947041E-07 37 -1.5178050E-06 38 -3.3062421E-06 39 -8.6283965E-06 40 -2.0418900E-05 41 -4.7847396E-05 42 -1.0540944E-04 43 -2.2554026E-04 44 -4.5957201E-04 45 -8.5207877E-04 46 -1.3976986E-03 47 -2.1287004E-03 48 -3.0159538E-03 49 -3.7174391E-03 50 -3.9464050E-03 51 -3.7252544E-03 52 -3.1715375E-03 53 -2.4380894E-03 54 -1.7118863E-03 55 -1.1147599E-03 56 -6.7273872E-04 57 -3.6761909E-04 58 -1.7638122E-04 59 -7.1688786E-05 60 -2.3192011E-05 61 -5.2765675E-06 62 -6.9222257E-07 63 -3.8731801E-08 64 -7.4541381E-10 RADIAL MOMENTS Sym Orb S+ 1 9.77001E+03 6.60443E+01 2.36250E-02 7.59703E-04 3.09471E-05 1.52767E-06 2 1.20370E+03 1.56533E+01 1.00375E-01 1.19527E-02 1.62134E-03 2.47694E-04 3 2.55064E+02 5.68925E+00 2.64870E-01 8.02993E-02 2.68124E-02 9.77573E-03 4 5.82816E+01 2.33686E+00 6.07337E-01 4.15844E-01 3.10562E-01 2.51081E-01 5 9.27882E+00 8.76670E-01 1.49755E+00 2.52007E+00 4.66073E+00 9.42681E+00 6 6.89225E-01 2.59491E-01 4.76782E+00 2.58611E+01 1.57318E+02 1.06689E+03 P- 1 3.82389E+02 1.55929E+01 8.43107E-02 8.77102E-03 1.08600E-03 1.56230E-04 2 8.14455E+01 5.59138E+00 2.54990E-01 7.55800E-02 2.49375E-02 9.07171E-03 3 1.81548E+01 2.22894E+00 6.24912E-01 4.43771E-01 3.46105E-01 2.94378E-01 4 2.57534E+00 7.72801E-01 1.68581E+00 3.22455E+00 6.86362E+00 1.62050E+01 P+ 1 2.68021E+02 1.40250E+01 9.06806E-02 1.00157E-02 1.30808E-03 1.97695E-04 2 5.79221E+01 5.20193E+00 2.67155E-01 8.27692E-02 2.85168E-02 1.08218E-02 3 1.31003E+01 2.10679E+00 6.51345E-01 4.81954E-01 3.91723E-01 3.47302E-01 4 1.84481E+00 7.28618E-01 1.77396E+00 3.57368E+00 8.02542E+00 2.00346E+01 D- 1 3.20370E+01 5.05717E+00 2.38887E-01 6.72307E-02 2.18773E-02 8.11310E-03 2 6.41718E+00 1.87935E+00 7.03353E-01 5.73673E-01 5.25979E-01 5.38856E-01 D+ 1 3.05373E+01 4.95854E+00 2.42712E-01 6.92633E-02 2.28280E-02 8.56813E-03 2 6.11146E+00 1.84702E+00 7.13416E-01 5.90030E-01 5.48598E-01 5.70024E-01 F- 1 2.21179E+00 1.28850E+00 1.03182E+00 1.41078E+00 2.52919E+00 5.82895E+00 F+ 1 2.16787E+00 1.27521E+00 1.04458E+00 1.44988E+00 2.64658E+00 6.22633E+00 ***************************************************************************************** ***************************************************************************************** Pm [Xe]6s(2)4f(5) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 61.0 Atomic Mass = 145.0 Nuclear Radius = 1.210542E-04 Speed of Light = 137.0359955 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 0.00299700 0.0 0.0 0.0 0.0 0.0 5.0 0.0 2 0.05994006 0.0 0.0 0.0 0.0 0.0 4.0 1.0 3 0.27972028 0.0 0.0 0.0 0.0 0.0 3.0 2.0 4 0.41958042 0.0 0.0 0.0 0.0 0.0 2.0 3.0 5 0.20979021 0.0 0.0 0.0 0.0 0.0 1.0 4.0 6 0.02797203 0.0 0.0 0.0 0.0 0.0 0.0 5.0 ENERGIES Total Energy = -1.00220915472327E+04 Mass Energy = -1.00210352147149E+04 Kinetic Energy = 2.08563966960923E+04 Potential Energy = -2.08574530286101E+04 NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 2.4700000E+08 1.0000000E+00 1.0000000E+00 2 1.3984373E+08 1.0000000E+00 1.0000000E+00 3 7.9175181E+07 1.0000000E+00 1.0000000E+00 4 4.4826530E+07 1.0000000E+00 1.0000000E+00 5 2.5379390E+07 1.0000000E+00 1.0000000E+00 6 1.4369023E+07 1.0000000E+00 1.0000000E+00 7 8.1352946E+06 1.0000000E+00 1.0000000E+00 8 4.6059513E+06 1.0000000E+00 1.0000000E+00 9 2.6077466E+06 1.0000000E+00 1.0000000E+00 10 1.4764252E+06 1.0000000E+00 1.0000000E+00 11 8.3590612E+05 1.0000000E+00 1.0000000E+00 12 4.7326410E+05 1.0000000E+00 1.0000000E+00 13 2.6794744E+05 1.0000000E+00 1.0000000E+00 14 1.5170352E+05 1.0000000E+00 1.0000000E+00 15 8.5889827E+04 1.0000000E+00 1.0000000E+00 16 4.8628154E+04 1.0000000E+00 1.0000000E+00 17 2.7531751E+04 1.0000000E+00 1.0000000E+00 18 1.5587623E+04 1.0000000E+00 1.0000000E+00 19 8.8252283E+03 1.0000000E+00 1.0000000E+00 20 4.9965703E+03 1.0000000E+00 1.0000000E+00 21 2.8289030E+03 1.0000000E+00 1.0000000E+00 22 1.6016371E+03 1.0000000E+00 1.0000000E+00 23 9.0679719E+02 1.0000000E+00 1.0000000E+00 24 5.1340042E+02 1.0000000E+00 1.0000000E+00 25 2.9067138E+02 1.0000000E+00 1.0000000E+00 26 1.6456911E+02 1.0000000E+00 1.0000000E+00 27 9.3173924E+01 1.0000000E+00 1.0000000E+00 28 5.2752184E+01 1.0000000E+00 1.0000000E+00 29 2.9866649E+01 1.0000000E+00 1.0000000E+00 30 1.6909570E+01 1.0000000E+00 1.0000000E+00 31 9.5736734E+00 1.0000000E+00 1.0000000E+00 32 5.4203167E+00 1.0000000E+00 1.0000000E+00 33 3.0688151E+00 1.0000000E+00 1.0000000E+00 34 1.7374678E+00 1.0000000E+00 1.0000000E+00 35 9.8370036E-01 1.0000000E+00 1.0000000E+00 36 5.5694061E-01 1.0000000E+00 1.0000000E+00 37 3.1532248E-01 1.0000000E+00 1.0000000E+00 38 1.7852580E-01 1.0000000E+00 1.0000000E+00 39 1.0107577E-01 1.0000000E+00 1.0000000E+00 40 5.7225962E-02 1.0000000E+00 1.0000000E+00 41 3.2399564E-02 1.0000000E+00 1.0000000E+00 42 1.8343627E-02 1.0000000E+00 1.0000000E+00 43 1.0385592E-02 1.0000000E+00 1.0000000E+00 44 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.3985048E+08 1.0000000E+00 1.0000000E+00 3 7.8389406E+07 1.0000000E+00 1.0000000E+00 4 4.3939063E+07 1.0000000E+00 1.0000000E+00 5 2.4628854E+07 1.0000000E+00 1.0000000E+00 6 1.3805038E+07 1.0000000E+00 1.0000000E+00 7 7.7380410E+06 1.0000000E+00 1.0000000E+00 8 4.3373497E+06 1.0000000E+00 1.0000000E+00 9 2.4311841E+06 1.0000000E+00 1.0000000E+00 10 1.3627345E+06 1.0000000E+00 1.0000000E+00 11 7.6384401E+05 1.0000000E+00 1.0000000E+00 12 4.2815211E+05 1.0000000E+00 1.0000000E+00 13 2.3998909E+05 1.0000000E+00 1.0000000E+00 14 1.3451940E+05 1.0000000E+00 1.0000000E+00 15 7.5401213E+04 1.0000000E+00 1.0000000E+00 16 4.2264112E+04 1.0000000E+00 1.0000000E+00 17 2.3690005E+04 1.0000000E+00 1.0000000E+00 18 1.3278792E+04 1.0000000E+00 1.0000000E+00 19 7.4430679E+03 1.0000000E+00 1.0000000E+00 20 4.1720105E+03 1.0000000E+00 1.0000000E+00 21 2.3385077E+03 1.0000000E+00 1.0000000E+00 22 1.3107873E+03 1.0000000E+00 1.0000000E+00 23 7.3472638E+02 1.0000000E+00 1.0000000E+00 24 4.1183101E+02 1.0000000E+00 1.0000000E+00 25 2.3084074E+02 1.0000000E+00 1.0000000E+00 26 1.2939154E+02 1.0000000E+00 1.0000000E+00 27 7.2526928E+01 1.0000000E+00 1.0000000E+00 28 4.0653009E+01 1.0000000E+00 1.0000000E+00 29 2.2786945E+01 1.0000000E+00 1.0000000E+00 30 1.2772606E+01 1.0000000E+00 1.0000000E+00 31 7.1593392E+00 1.0000000E+00 1.0000000E+00 32 4.0129740E+00 1.0000000E+00 1.0000000E+00 33 2.2493641E+00 1.0000000E+00 1.0000000E+00 34 1.2608203E+00 1.0000000E+00 1.0000000E+00 35 7.0671871E-01 1.0000000E+00 1.0000000E+00 36 3.9613207E-01 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1.8099154E-01 22 1.5716196E-01 23 1.2574439E-01 24 9.2870107E-02 25 6.1946510E-02 26 3.6077397E-02 27 1.7644651E-02 28 6.7927701E-03 29 1.8178850E-03 30 2.7562081E-04 31 1.7937002E-05 32 3.9846999E-07 *** Small-Component *** 33 9.4301761E-08 34 -3.0672782E-08 35 3.2653550E-07 36 3.4239375E-07 37 1.3044274E-06 38 2.7991924E-06 39 7.2395469E-06 40 1.7204086E-05 41 4.0690855E-05 42 9.1080438E-05 43 1.9711719E-04 44 4.1091563E-04 45 7.9154939E-04 46 1.3459236E-03 47 2.0866754E-03 48 3.0368684E-03 49 3.8832451E-03 50 4.2282092E-03 51 4.0391598E-03 52 3.4623209E-03 53 2.6717318E-03 54 1.8717471E-03 55 1.2081843E-03 56 7.1988085E-04 57 3.8737060E-04 58 1.8199958E-04 59 7.1805010E-05 60 2.2298290E-05 61 4.8136321E-06 62 5.8679554E-07 63 3.1367948E-08 64 -2.8319860E-10 4F+ -3.8214283E-01 ------------ *** Large-Component *** 1 -1.4510215E-07 2 6.7863700E-08 3 -7.7932378E-07 4 -9.4136341E-07 5 -4.6641566E-06 6 -1.2054817E-05 7 -3.8662758E-05 8 -1.1122368E-04 9 -3.1880272E-04 10 -8.6009317E-04 11 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MOMENTS Sym Orb S+ 1 1.02241E+04 6.74193E+01 2.31750E-02 7.31499E-04 2.92593E-05 1.41854E-06 2 1.26814E+03 1.60106E+01 9.83547E-02 1.14799E-02 1.52642E-03 2.28573E-04 3 2.70205E+02 5.82850E+00 2.59120E-01 7.68592E-02 2.51063E-02 8.95333E-03 4 6.21197E+01 2.39838E+00 5.93002E-01 3.96510E-01 2.89181E-01 2.28307E-01 5 9.83191E+00 8.96574E-01 1.46548E+00 2.41424E+00 4.37324E+00 8.66822E+00 6 7.13883E-01 2.62977E-01 4.70515E+00 2.52044E+01 1.51545E+02 1.01657E+03 P- 1 4.02504E+02 1.59492E+01 8.25375E-02 8.40985E-03 1.02003E-03 1.43756E-04 2 8.62704E+01 5.73077E+00 2.49209E-01 7.22025E-02 2.32834E-02 8.27666E-03 3 1.93570E+01 2.29002E+00 6.09363E-01 4.22049E-01 3.21039E-01 2.66313E-01 4 2.72125E+00 7.90304E-01 1.64956E+00 3.08910E+00 6.44196E+00 1.49117E+01 P+ 1 2.78170E+02 1.42875E+01 8.90134E-02 9.65017E-03 1.23697E-03 1.83460E-04 2 6.05100E+01 5.31680E+00 2.61527E-01 7.93219E-02 2.67499E-02 9.93402E-03 3 1.37734E+01 2.15937E+00 6.36157E-01 4.59826E-01 3.65099E-01 3.16219E-01 4 1.91934E+00 7.42945E-01 1.74018E+00 3.44106E+00 7.59145E+00 1.86333E+01 D- 1 3.35240E+01 5.17377E+00 2.33424E-01 6.41695E-02 2.03911E-02 7.38294E-03 2 6.78019E+00 1.93200E+00 6.84607E-01 5.43617E-01 4.85261E-01 4.84044E-01 D+ 1 3.18991E+01 5.06930E+00 2.37292E-01 6.61769E-02 2.13078E-02 7.81136E-03 2 6.44459E+00 1.89745E+00 6.94780E-01 5.59724E-01 5.06962E-01 5.13183E-01 F- 1 2.40051E+00 1.34458E+00 9.85758E-01 1.28456E+00 2.19187E+00 4.80618E+00 F+ 1 2.35017E+00 1.32990E+00 9.98733E-01 1.32260E+00 2.30105E+00 5.15958E+00 ***************************************************************************************** ***************************************************************************************** Sm [Xe]6s(2)4f(6) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 62.0 Atomic Mass = 152.0 Nuclear Radius = 1.227514E-04 Speed of Light = 137.0359955 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 0.00033300 0.0 0.0 0.0 0.0 0.0 6.0 0.0 2 0.01598402 0.0 0.0 0.0 0.0 0.0 5.0 1.0 3 0.13986014 0.0 0.0 0.0 0.0 0.0 4.0 2.0 4 0.37296037 0.0 0.0 0.0 0.0 0.0 3.0 3.0 5 0.34965035 0.0 0.0 0.0 0.0 0.0 2.0 4.0 6 0.11188811 0.0 0.0 0.0 0.0 0.0 1.0 5.0 7 0.00932401 0.0 0.0 0.0 0.0 0.0 0.0 6.0 ENERGIES Total Energy = -1.04291586590744E+04 Mass Energy = -1.04279628229944E+04 Kinetic Energy = 2.17340790188853E+04 Potential Energy = -2.17352748549654E+04 NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 2.4700000E+08 1.0000000E+00 1.0000000E+00 2 1.3984373E+08 1.0000000E+00 1.0000000E+00 3 7.9175181E+07 1.0000000E+00 1.0000000E+00 4 4.4826530E+07 1.0000000E+00 1.0000000E+00 5 2.5379390E+07 1.0000000E+00 1.0000000E+00 6 1.4369023E+07 1.0000000E+00 1.0000000E+00 7 8.1352946E+06 1.0000000E+00 1.0000000E+00 8 4.6059513E+06 1.0000000E+00 1.0000000E+00 9 2.6077466E+06 1.0000000E+00 1.0000000E+00 10 1.4764252E+06 1.0000000E+00 1.0000000E+00 11 8.3590612E+05 1.0000000E+00 1.0000000E+00 12 4.7326410E+05 1.0000000E+00 1.0000000E+00 13 2.6794744E+05 1.0000000E+00 1.0000000E+00 14 1.5170352E+05 1.0000000E+00 1.0000000E+00 15 8.5889827E+04 1.0000000E+00 1.0000000E+00 16 4.8628154E+04 1.0000000E+00 1.0000000E+00 17 2.7531751E+04 1.0000000E+00 1.0000000E+00 18 1.5587623E+04 1.0000000E+00 1.0000000E+00 19 8.8252283E+03 1.0000000E+00 1.0000000E+00 20 4.9965703E+03 1.0000000E+00 1.0000000E+00 21 2.8289030E+03 1.0000000E+00 1.0000000E+00 22 1.6016371E+03 1.0000000E+00 1.0000000E+00 23 9.0679719E+02 1.0000000E+00 1.0000000E+00 24 5.1340042E+02 1.0000000E+00 1.0000000E+00 25 2.9067138E+02 1.0000000E+00 1.0000000E+00 26 1.6456911E+02 1.0000000E+00 1.0000000E+00 27 9.3173924E+01 1.0000000E+00 1.0000000E+00 28 5.2752184E+01 1.0000000E+00 1.0000000E+00 29 2.9866649E+01 1.0000000E+00 1.0000000E+00 30 1.6909570E+01 1.0000000E+00 1.0000000E+00 31 9.5736734E+00 1.0000000E+00 1.0000000E+00 32 5.4203167E+00 1.0000000E+00 1.0000000E+00 33 3.0688151E+00 1.0000000E+00 1.0000000E+00 34 1.7374678E+00 1.0000000E+00 1.0000000E+00 35 9.8370036E-01 1.0000000E+00 1.0000000E+00 36 5.5694061E-01 1.0000000E+00 1.0000000E+00 37 3.1532248E-01 1.0000000E+00 1.0000000E+00 38 1.7852580E-01 1.0000000E+00 1.0000000E+00 39 1.0107577E-01 1.0000000E+00 1.0000000E+00 40 5.7225962E-02 1.0000000E+00 1.0000000E+00 41 3.2399564E-02 1.0000000E+00 1.0000000E+00 42 1.8343627E-02 1.0000000E+00 1.0000000E+00 43 1.0385592E-02 1.0000000E+00 1.0000000E+00 44 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.3985048E+08 1.0000000E+00 1.0000000E+00 3 7.8389406E+07 1.0000000E+00 1.0000000E+00 4 4.3939063E+07 1.0000000E+00 1.0000000E+00 5 2.4628854E+07 1.0000000E+00 1.0000000E+00 6 1.3805038E+07 1.0000000E+00 1.0000000E+00 7 7.7380410E+06 1.0000000E+00 1.0000000E+00 8 4.3373497E+06 1.0000000E+00 1.0000000E+00 9 2.4311841E+06 1.0000000E+00 1.0000000E+00 10 1.3627345E+06 1.0000000E+00 1.0000000E+00 11 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3.7176366E+00 1.0000000E+00 1.0000000E+00 20 2.4315103E+00 1.0000000E+00 1.0000000E+00 21 1.5903228E+00 1.0000000E+00 1.0000000E+00 22 1.0401464E+00 1.0000000E+00 1.0000000E+00 23 6.8030498E-01 1.0000000E+00 1.0000000E+00 24 4.4495166E-01 1.0000000E+00 1.0000000E+00 25 2.9101945E-01 1.0000000E+00 1.0000000E+00 26 1.9034049E-01 1.0000000E+00 1.0000000E+00 27 1.2449169E-01 1.0000000E+00 1.0000000E+00 28 8.1423459E-02 1.0000000E+00 1.0000000E+00 29 5.3254797E-02 1.0000000E+00 1.0000000E+00 30 3.4831158E-02 1.0000000E+00 1.0000000E+00 31 2.2781226E-02 1.0000000E+00 1.0000000E+00 32 1.4900000E-02 1.0000000E+00 1.0000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -1.7312081E+03 -2.8710990E+02 -6.4711844E+01 -1.3675121E+01 -1.9750371E+00 -1.7878002E-01 ------------ ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 -4.6134485E-06 1.6609229E-06 7.6630574E-07 3.6567613E-07 -1.4291957E-07 3.6926766E-08 2 1.4052781E-05 -5.0564486E-06 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Large-Component *** 1 1.6777233E-07 2 -7.8435479E-08 3 8.9889523E-07 4 1.0861421E-06 5 5.3678176E-06 6 1.3876766E-05 7 4.4397632E-05 8 1.2743942E-04 9 3.6378276E-04 10 9.7898147E-04 11 2.5672254E-03 12 6.3648743E-03 13 1.4237166E-02 14 2.8363271E-02 15 5.2818619E-02 16 8.9560135E-02 17 1.3033635E-01 18 1.6399663E-01 19 1.8390614E-01 20 1.8560909E-01 21 1.6931848E-01 22 1.4167246E-01 23 1.1014149E-01 24 7.9051223E-02 25 5.0927232E-02 26 2.8453806E-02 27 1.3209992E-02 28 4.7280971E-03 29 1.1316588E-03 30 1.4675336E-04 31 7.4511163E-06 32 2.0262992E-07 *** Small-Component *** 33 1.2723933E-07 34 -3.6445036E-08 35 4.7552645E-07 36 5.3294630E-07 37 2.0248751E-06 38 4.4036260E-06 39 1.1462060E-05 40 2.6984905E-05 41 6.2763598E-05 42 1.3751436E-04 43 2.9303801E-04 44 5.8973731E-04 45 1.0693038E-03 46 1.7253618E-03 47 2.6013177E-03 48 3.5699394E-03 49 4.2034012E-03 50 4.2783629E-03 51 3.8806731E-03 52 3.1677669E-03 53 2.3371277E-03 54 1.5815333E-03 55 9.9438303E-04 56 5.7719191E-04 57 3.0072395E-04 58 1.3588306E-04 59 5.1018870E-05 60 1.4768082E-05 61 2.8585450E-06 62 2.9983682E-07 63 1.2295089E-08 64 2.7440695E-10 RADIAL MOMENTS Sym Orb S+ 1 1.06959E+04 6.88105E+01 2.27385E-02 7.04659E-04 2.76828E-05 1.31845E-06 2 1.33566E+03 1.63729E+01 9.63975E-02 1.10313E-02 1.43812E-03 2.11144E-04 3 2.86102E+02 5.96922E+00 2.53585E-01 7.36189E-02 2.35344E-02 8.21233E-03 4 6.61356E+01 2.45998E+00 5.79348E-01 3.78525E-01 2.69757E-01 2.08104E-01 5 1.04021E+01 9.16200E-01 1.43519E+00 2.31635E+00 4.11280E+00 7.99481E+00 6 7.39201E-01 2.66402E-01 4.64539E+00 2.45861E+01 1.46172E+02 9.70249E+02 P- 1 4.23597E+02 1.63106E+01 8.08207E-02 8.06752E-03 9.58794E-04 1.32417E-04 2 9.13427E+01 5.87161E+00 2.43653E-01 6.90297E-02 2.17650E-02 7.56352E-03 3 2.06161E+01 2.35113E+00 5.94599E-01 4.01930E-01 2.98395E-01 2.41587E-01 4 2.87105E+00 8.07498E-01 1.61544E+00 2.96430E+00 6.06144E+00 1.37677E+01 P+ 1 2.88538E+02 1.45506E+01 8.74031E-02 9.30362E-03 1.17080E-03 1.70461E-04 2 6.31621E+01 5.43189E+00 2.56126E-01 7.60837E-02 2.51255E-02 9.13543E-03 3 1.44591E+01 2.21154E+00 6.21770E-01 4.39349E-01 3.41032E-01 2.88772E-01 4 1.99291E+00 7.56824E-01 1.70862E+00 3.31950E+00 7.20098E+00 1.73947E+01 D- 1 3.50480E+01 5.29051E+00 2.28205E-01 6.13134E-02 1.90374E-02 6.73376E-03 2 7.15005E+00 1.98412E+00 6.67019E-01 5.16165E-01 4.49055E-01 4.36598E-01 D+ 1 3.32898E+01 5.17997E+00 2.32116E-01 6.32973E-02 1.99226E-02 7.13794E-03 2 6.78252E+00 1.94725E+00 6.77314E-01 5.32057E-01 4.69938E-01 4.63952E-01 F- 1 2.58798E+00 1.39780E+00 9.46301E-01 1.18230E+00 1.93358E+00 4.06576E+00 F+ 1 2.53055E+00 1.38161E+00 9.59618E-01 1.21989E+00 2.03755E+00 4.39012E+00 ***************************************************************************************** ***************************************************************************************** Eu [Xe]6s(2)4f(7) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 63.0 Atomic Mass = 153.0 Nuclear Radius = 1.229896E-04 Speed of Light = 137.0359955 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 0.00233100 0.0 0.0 0.0 0.0 0.0 6.0 1.0 2 0.04895105 0.0 0.0 0.0 0.0 0.0 5.0 2.0 3 0.24475524 0.0 0.0 0.0 0.0 0.0 4.0 3.0 4 0.40792541 0.0 0.0 0.0 0.0 0.0 3.0 4.0 5 0.24475524 0.0 0.0 0.0 0.0 0.0 2.0 5.0 6 0.04895105 0.0 0.0 0.0 0.0 0.0 1.0 6.0 7 0.00233100 0.0 0.0 0.0 0.0 0.0 0.0 7.0 ENERGIES Total Energy = -1.08464999890762E+04 Mass Energy = -1.08451754486163E+04 Kinetic Energy = 2.26364513400390E+04 Potential Energy = -2.26377758804989E+04 NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 2.4700000E+08 1.0000000E+00 1.0000000E+00 2 1.3984373E+08 1.0000000E+00 1.0000000E+00 3 7.9175181E+07 1.0000000E+00 1.0000000E+00 4 4.4826530E+07 1.0000000E+00 1.0000000E+00 5 2.5379390E+07 1.0000000E+00 1.0000000E+00 6 1.4369023E+07 1.0000000E+00 1.0000000E+00 7 8.1352946E+06 1.0000000E+00 1.0000000E+00 8 4.6059513E+06 1.0000000E+00 1.0000000E+00 9 2.6077466E+06 1.0000000E+00 1.0000000E+00 10 1.4764252E+06 1.0000000E+00 1.0000000E+00 11 8.3590612E+05 1.0000000E+00 1.0000000E+00 12 4.7326410E+05 1.0000000E+00 1.0000000E+00 13 2.6794744E+05 1.0000000E+00 1.0000000E+00 14 1.5170352E+05 1.0000000E+00 1.0000000E+00 15 8.5889827E+04 1.0000000E+00 1.0000000E+00 16 4.8628154E+04 1.0000000E+00 1.0000000E+00 17 2.7531751E+04 1.0000000E+00 1.0000000E+00 18 1.5587623E+04 1.0000000E+00 1.0000000E+00 19 8.8252283E+03 1.0000000E+00 1.0000000E+00 20 4.9965703E+03 1.0000000E+00 1.0000000E+00 21 2.8289030E+03 1.0000000E+00 1.0000000E+00 22 1.6016371E+03 1.0000000E+00 1.0000000E+00 23 9.0679719E+02 1.0000000E+00 1.0000000E+00 24 5.1340042E+02 1.0000000E+00 1.0000000E+00 25 2.9067138E+02 1.0000000E+00 1.0000000E+00 26 1.6456911E+02 1.0000000E+00 1.0000000E+00 27 9.3173924E+01 1.0000000E+00 1.0000000E+00 28 5.2752184E+01 1.0000000E+00 1.0000000E+00 29 2.9866649E+01 1.0000000E+00 1.0000000E+00 30 1.6909570E+01 1.0000000E+00 1.0000000E+00 31 9.5736734E+00 1.0000000E+00 1.0000000E+00 32 5.4203167E+00 1.0000000E+00 1.0000000E+00 33 3.0688151E+00 1.0000000E+00 1.0000000E+00 34 1.7374678E+00 1.0000000E+00 1.0000000E+00 35 9.8370036E-01 1.0000000E+00 1.0000000E+00 36 5.5694061E-01 1.0000000E+00 1.0000000E+00 37 3.1532248E-01 1.0000000E+00 1.0000000E+00 38 1.7852580E-01 1.0000000E+00 1.0000000E+00 39 1.0107577E-01 1.0000000E+00 1.0000000E+00 40 5.7225962E-02 1.0000000E+00 1.0000000E+00 41 3.2399564E-02 1.0000000E+00 1.0000000E+00 42 1.8343627E-02 1.0000000E+00 1.0000000E+00 43 1.0385592E-02 1.0000000E+00 1.0000000E+00 44 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.3985048E+08 1.0000000E+00 1.0000000E+00 3 7.8389406E+07 1.0000000E+00 1.0000000E+00 4 4.3939063E+07 1.0000000E+00 1.0000000E+00 5 2.4628854E+07 1.0000000E+00 1.0000000E+00 6 1.3805038E+07 1.0000000E+00 1.0000000E+00 7 7.7380410E+06 1.0000000E+00 1.0000000E+00 8 4.3373497E+06 1.0000000E+00 1.0000000E+00 9 2.4311841E+06 1.0000000E+00 1.0000000E+00 10 1.3627345E+06 1.0000000E+00 1.0000000E+00 11 7.6384401E+05 1.0000000E+00 1.0000000E+00 12 4.2815211E+05 1.0000000E+00 1.0000000E+00 13 2.3998909E+05 1.0000000E+00 1.0000000E+00 14 1.3451940E+05 1.0000000E+00 1.0000000E+00 15 7.5401213E+04 1.0000000E+00 1.0000000E+00 16 4.2264112E+04 1.0000000E+00 1.0000000E+00 17 2.3690005E+04 1.0000000E+00 1.0000000E+00 18 1.3278792E+04 1.0000000E+00 1.0000000E+00 19 7.4430679E+03 1.0000000E+00 1.0000000E+00 20 4.1720105E+03 1.0000000E+00 1.0000000E+00 21 2.3385077E+03 1.0000000E+00 1.0000000E+00 22 1.3107873E+03 1.0000000E+00 1.0000000E+00 23 7.3472638E+02 1.0000000E+00 1.0000000E+00 24 4.1183101E+02 1.0000000E+00 1.0000000E+00 25 2.3084074E+02 1.0000000E+00 1.0000000E+00 26 1.2939154E+02 1.0000000E+00 1.0000000E+00 27 7.2526928E+01 1.0000000E+00 1.0000000E+00 28 4.0653009E+01 1.0000000E+00 1.0000000E+00 29 2.2786945E+01 1.0000000E+00 1.0000000E+00 30 1.2772606E+01 1.0000000E+00 1.0000000E+00 31 7.1593392E+00 1.0000000E+00 1.0000000E+00 32 4.0129740E+00 1.0000000E+00 1.0000000E+00 33 2.2493641E+00 1.0000000E+00 1.0000000E+00 34 1.2608203E+00 1.0000000E+00 1.0000000E+00 35 7.0671871E-01 1.0000000E+00 1.0000000E+00 36 3.9613207E-01 1.0000000E+00 1.0000000E+00 37 2.2204112E-01 1.0000000E+00 1.0000000E+00 38 1.2445915E-01 1.0000000E+00 1.0000000E+00 39 6.9762212E-02 1.0000000E+00 1.0000000E+00 40 3.9103322E-02 1.0000000E+00 1.0000000E+00 41 2.1918310E-02 1.0000000E+00 1.0000000E+00 42 1.2285716E-02 1.0000000E+00 1.0000000E+00 43 6.8864261E-03 1.0000000E+00 1.0000000E+00 44 3.8600000E-03 1.0000000E+00 1.0000000E+00 P+ 1 2.0100000E+07 1.0000000E+00 1.0000000E+00 2 1.1922144E+07 1.0000000E+00 1.0000000E+00 3 7.0715183E+06 1.0000000E+00 1.0000000E+00 4 4.1944110E+06 1.0000000E+00 1.0000000E+00 5 2.4878792E+06 1.0000000E+00 1.0000000E+00 6 1.4756644E+06 1.0000000E+00 1.0000000E+00 7 8.7527777E+05 1.0000000E+00 1.0000000E+00 8 5.1916357E+05 1.0000000E+00 1.0000000E+00 9 3.0793745E+05 1.0000000E+00 1.0000000E+00 10 1.8265048E+05 1.0000000E+00 1.0000000E+00 11 1.0833758E+05 1.0000000E+00 1.0000000E+00 12 6.4259514E+04 1.0000000E+00 1.0000000E+00 13 3.8114984E+04 1.0000000E+00 1.0000000E+00 14 2.2607579E+04 1.0000000E+00 1.0000000E+00 15 1.3409493E+04 1.0000000E+00 1.0000000E+00 16 7.9537267E+03 1.0000000E+00 1.0000000E+00 17 4.7176853E+03 1.0000000E+00 1.0000000E+00 18 2.7982549E+03 1.0000000E+00 1.0000000E+00 19 1.6597611E+03 1.0000000E+00 1.0000000E+00 20 9.8447319E+02 1.0000000E+00 1.0000000E+00 21 5.8393190E+02 1.0000000E+00 1.0000000E+00 22 3.4635424E+02 1.0000000E+00 1.0000000E+00 23 2.0543707E+02 1.0000000E+00 1.0000000E+00 24 1.2185325E+02 1.0000000E+00 1.0000000E+00 25 7.2276219E+01 1.0000000E+00 1.0000000E+00 26 4.2870025E+01 1.0000000E+00 1.0000000E+00 27 2.5427991E+01 1.0000000E+00 1.0000000E+00 28 1.5082396E+01 1.0000000E+00 1.0000000E+00 29 8.9459951E+00 1.0000000E+00 1.0000000E+00 30 5.3062409E+00 1.0000000E+00 1.0000000E+00 31 3.1473517E+00 1.0000000E+00 1.0000000E+00 32 1.8668249E+00 1.0000000E+00 1.0000000E+00 33 1.1072913E+00 1.0000000E+00 1.0000000E+00 34 6.5678041E-01 1.0000000E+00 1.0000000E+00 35 3.8956371E-01 1.0000000E+00 1.0000000E+00 36 2.3106640E-01 1.0000000E+00 1.0000000E+00 37 1.3705507E-01 1.0000000E+00 1.0000000E+00 38 8.1293050E-02 1.0000000E+00 1.0000000E+00 39 4.8218281E-02 1.0000000E+00 1.0000000E+00 40 2.8600263E-02 1.0000000E+00 1.0000000E+00 41 1.6964003E-02 1.0000000E+00 1.0000000E+00 42 1.0062054E-02 1.0000000E+00 1.0000000E+00 43 5.9682218E-03 1.0000000E+00 1.0000000E+00 44 3.5400000E-03 1.0000000E+00 1.0000000E+00 D- 1 8.2000000E+05 1.0000000E+00 1.0000000E+00 2 4.7626832E+05 1.0000000E+00 1.0000000E+00 3 2.7662380E+05 1.0000000E+00 1.0000000E+00 4 1.6066726E+05 1.0000000E+00 1.0000000E+00 5 9.3317959E+04 1.0000000E+00 1.0000000E+00 6 5.4200473E+04 1.0000000E+00 1.0000000E+00 7 3.1480449E+04 1.0000000E+00 1.0000000E+00 8 1.8284318E+04 1.0000000E+00 1.0000000E+00 9 1.0619807E+04 1.0000000E+00 1.0000000E+00 10 6.1681434E+03 1.0000000E+00 1.0000000E+00 11 3.5825504E+03 1.0000000E+00 1.0000000E+00 12 2.0807991E+03 1.0000000E+00 1.0000000E+00 13 1.2085594E+03 1.0000000E+00 1.0000000E+00 14 7.0194945E+02 1.0000000E+00 1.0000000E+00 15 4.0770279E+02 1.0000000E+00 1.0000000E+00 16 2.3679991E+02 1.0000000E+00 1.0000000E+00 17 1.3753695E+02 1.0000000E+00 1.0000000E+00 18 7.9883525E+01 1.0000000E+00 1.0000000E+00 19 4.6397552E+01 1.0000000E+00 1.0000000E+00 20 2.6948395E+01 1.0000000E+00 1.0000000E+00 21 1.5652033E+01 1.0000000E+00 1.0000000E+00 22 9.0909360E+00 1.0000000E+00 1.0000000E+00 23 5.2801523E+00 1.0000000E+00 1.0000000E+00 24 3.0667918E+00 1.0000000E+00 1.0000000E+00 25 1.7812388E+00 1.0000000E+00 1.0000000E+00 26 1.0345702E+00 1.0000000E+00 1.0000000E+00 27 6.0089395E-01 1.0000000E+00 1.0000000E+00 28 3.4900823E-01 1.0000000E+00 1.0000000E+00 29 2.0270923E-01 1.0000000E+00 1.0000000E+00 30 1.1773657E-01 1.0000000E+00 1.0000000E+00 31 6.8383167E-02 1.0000000E+00 1.0000000E+00 32 3.9717971E-02 1.0000000E+00 1.0000000E+00 33 2.3068794E-02 1.0000000E+00 1.0000000E+00 34 1.3398703E-02 1.0000000E+00 1.0000000E+00 35 7.7821678E-03 1.0000000E+00 1.0000000E+00 36 4.5200000E-03 1.0000000E+00 1.0000000E+00 D+ 1 1.6500000E+05 1.0000000E+00 1.0000000E+00 2 9.9977070E+04 1.0000000E+00 1.0000000E+00 3 6.0578269E+04 1.0000000E+00 1.0000000E+00 4 3.6705684E+04 1.0000000E+00 1.0000000E+00 5 2.2240768E+04 1.0000000E+00 1.0000000E+00 6 1.3476162E+04 1.0000000E+00 1.0000000E+00 7 8.1654983E+03 1.0000000E+00 1.0000000E+00 8 4.9476521E+03 1.0000000E+00 1.0000000E+00 9 2.9978894E+03 1.0000000E+00 1.0000000E+00 10 1.8164861E+03 1.0000000E+00 1.0000000E+00 11 1.1006482E+03 1.0000000E+00 1.0000000E+00 12 6.6690656E+02 1.0000000E+00 1.0000000E+00 13 4.0409311E+02 1.0000000E+00 1.0000000E+00 14 2.4484876E+02 1.0000000E+00 1.0000000E+00 15 1.4835916E+02 1.0000000E+00 1.0000000E+00 16 8.9894024E+01 1.0000000E+00 1.0000000E+00 17 5.4468734E+01 1.0000000E+00 1.0000000E+00 18 3.3003784E+01 1.0000000E+00 1.0000000E+00 19 1.9997707E+01 1.0000000E+00 1.0000000E+00 20 1.2117043E+01 1.0000000E+00 1.0000000E+00 21 7.3419786E+00 1.0000000E+00 1.0000000E+00 22 4.4486637E+00 1.0000000E+00 1.0000000E+00 23 2.6955416E+00 1.0000000E+00 1.0000000E+00 24 1.6332869E+00 1.0000000E+00 1.0000000E+00 25 9.8964389E-01 1.0000000E+00 1.0000000E+00 26 5.9964664E-01 1.0000000E+00 1.0000000E+00 27 3.6333887E-01 1.0000000E+00 1.0000000E+00 28 2.2015488E-01 1.0000000E+00 1.0000000E+00 29 1.3339661E-01 1.0000000E+00 1.0000000E+00 30 8.0827890E-02 1.0000000E+00 1.0000000E+00 31 4.8975367E-02 1.0000000E+00 1.0000000E+00 32 2.9675234E-02 1.0000000E+00 1.0000000E+00 33 1.7980866E-02 1.0000000E+00 1.0000000E+00 34 1.0894996E-02 1.0000000E+00 1.0000000E+00 35 6.6015138E-03 1.0000000E+00 1.0000000E+00 36 4.0000000E-03 1.0000000E+00 1.0000000E+00 F- 1 9.8000000E+03 1.0000000E+00 1.0000000E+00 2 6.3777470E+03 1.0000000E+00 1.0000000E+00 3 4.1505772E+03 1.0000000E+00 1.0000000E+00 4 2.7011562E+03 1.0000000E+00 1.0000000E+00 5 1.7578868E+03 1.0000000E+00 1.0000000E+00 6 1.1440160E+03 1.0000000E+00 1.0000000E+00 7 7.4451478E+02 1.0000000E+00 1.0000000E+00 8 4.8452315E+02 1.0000000E+00 1.0000000E+00 9 3.1532307E+02 1.0000000E+00 1.0000000E+00 10 2.0520926E+02 1.0000000E+00 1.0000000E+00 11 1.3354824E+02 1.0000000E+00 1.0000000E+00 12 8.6911924E+01 1.0000000E+00 1.0000000E+00 13 5.6561455E+01 1.0000000E+00 1.0000000E+00 14 3.6809658E+01 1.0000000E+00 1.0000000E+00 15 2.3955376E+01 1.0000000E+00 1.0000000E+00 16 1.5589931E+01 1.0000000E+00 1.0000000E+00 17 1.0145779E+01 1.0000000E+00 1.0000000E+00 18 6.6027768E+00 1.0000000E+00 1.0000000E+00 19 4.2970244E+00 1.0000000E+00 1.0000000E+00 20 2.7964627E+00 1.0000000E+00 1.0000000E+00 21 1.8199114E+00 1.0000000E+00 1.0000000E+00 22 1.1843810E+00 1.0000000E+00 1.0000000E+00 23 7.7078394E-01 1.0000000E+00 1.0000000E+00 24 5.0161887E-01 1.0000000E+00 1.0000000E+00 25 3.2644880E-01 1.0000000E+00 1.0000000E+00 26 2.1244978E-01 1.0000000E+00 1.0000000E+00 27 1.3826030E-01 1.0000000E+00 1.0000000E+00 28 8.9978489E-02 1.0000000E+00 1.0000000E+00 29 5.8557147E-02 1.0000000E+00 1.0000000E+00 30 3.8108435E-02 1.0000000E+00 1.0000000E+00 31 2.4800608E-02 1.0000000E+00 1.0000000E+00 32 1.6140000E-02 1.0000000E+00 1.0000000E+00 F+ 1 7.7500000E+03 1.0000000E+00 1.0000000E+00 2 5.0688668E+03 1.0000000E+00 1.0000000E+00 3 3.3152788E+03 1.0000000E+00 1.0000000E+00 4 2.1683493E+03 1.0000000E+00 1.0000000E+00 5 1.4182031E+03 1.0000000E+00 1.0000000E+00 6 9.2757194E+02 1.0000000E+00 1.0000000E+00 7 6.0667595E+02 1.0000000E+00 1.0000000E+00 8 3.9679479E+02 1.0000000E+00 1.0000000E+00 9 2.5952257E+02 1.0000000E+00 1.0000000E+00 10 1.6974005E+02 1.0000000E+00 1.0000000E+00 11 1.1101803E+02 1.0000000E+00 1.0000000E+00 12 7.2611043E+01 1.0000000E+00 1.0000000E+00 13 4.7491059E+01 1.0000000E+00 1.0000000E+00 14 3.1061401E+01 1.0000000E+00 1.0000000E+00 15 2.0315626E+01 1.0000000E+00 1.0000000E+00 16 1.3287381E+01 1.0000000E+00 1.0000000E+00 17 8.6905763E+00 1.0000000E+00 1.0000000E+00 18 5.6840482E+00 1.0000000E+00 1.0000000E+00 19 3.7176366E+00 1.0000000E+00 1.0000000E+00 20 2.4315103E+00 1.0000000E+00 1.0000000E+00 21 1.5903228E+00 1.0000000E+00 1.0000000E+00 22 1.0401464E+00 1.0000000E+00 1.0000000E+00 23 6.8030498E-01 1.0000000E+00 1.0000000E+00 24 4.4495166E-01 1.0000000E+00 1.0000000E+00 25 2.9101945E-01 1.0000000E+00 1.0000000E+00 26 1.9034049E-01 1.0000000E+00 1.0000000E+00 27 1.2449169E-01 1.0000000E+00 1.0000000E+00 28 8.1423459E-02 1.0000000E+00 1.0000000E+00 29 5.3254797E-02 1.0000000E+00 1.0000000E+00 30 3.4831158E-02 1.0000000E+00 1.0000000E+00 31 2.2781226E-02 1.0000000E+00 1.0000000E+00 32 1.4900000E-02 1.0000000E+00 1.0000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -1.7935410E+03 -2.9879898E+02 -6.7588949E+01 -1.4258924E+01 -2.0314210E+00 -1.8103458E-01 ------------ ------------ ------------ ------------ 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-6.2465527E-04 57 -3.2207254E-04 58 -1.4343804E-04 59 -5.2757502E-05 60 -1.4853712E-05 61 -2.7827618E-06 62 -2.7873513E-07 63 -1.1932892E-08 64 5.4041361E-10 4F+ -4.2328946E-01 ------------ *** Large-Component *** 1 1.9265880E-07 2 -8.9419019E-08 3 1.0284710E-06 4 1.2499300E-06 5 6.1310913E-06 6 1.5891312E-05 7 5.0638618E-05 8 1.4514544E-04 9 4.1244616E-04 10 1.1077099E-03 11 2.8969341E-03 12 7.1339913E-03 13 1.5781155E-02 14 3.1221986E-02 15 5.7761623E-02 16 9.6228348E-02 17 1.3699403E-01 18 1.6902580E-01 19 1.8602897E-01 20 1.8422205E-01 21 1.6514081E-01 22 1.3611554E-01 23 1.0435188E-01 24 7.3756119E-02 25 4.6651522E-02 26 2.5481867E-02 27 1.1484444E-02 28 3.9428319E-03 29 8.8835024E-04 30 1.0627119E-04 31 4.8155928E-06 32 1.5165656E-07 *** Small-Component *** 33 1.4563685E-07 34 -4.0977787E-08 35 5.4256537E-07 36 6.1331553E-07 37 2.3099123E-06 38 5.0409283E-06 39 1.3067270E-05 40 3.0726667E-05 41 7.1145610E-05 42 1.5558142E-04 43 3.3066462E-04 44 6.6099444E-04 45 1.1852416E-03 46 1.8992552E-03 47 2.8448268E-03 48 3.8358130E-03 49 4.4181595E-03 50 4.4096012E-03 51 3.9254934E-03 52 3.1441072E-03 53 2.2794671E-03 54 1.5195018E-03 55 9.4211387E-04 56 5.3853030E-04 57 2.7547608E-04 58 1.2169051E-04 59 4.4354521E-05 60 1.2315378E-05 61 2.2439225E-06 62 2.1714611E-07 63 7.9365651E-09 64 2.0737011E-10 RADIAL MOMENTS Sym Orb S+ 1 1.11882E+04 7.02192E+01 2.23147E-02 6.79092E-04 2.62084E-05 1.22653E-06 2 1.40670E+03 1.67407E+01 9.45006E-02 1.06050E-02 1.35590E-03 1.95232E-04 3 3.02851E+02 6.11148E+00 2.48250E-01 7.05627E-02 2.20836E-02 7.54327E-03 4 7.03551E+01 2.52176E+00 5.66310E-01 3.61741E-01 2.52044E-01 1.90104E-01 5 1.09945E+01 9.35653E-01 1.40639E+00 2.22518E+00 3.87503E+00 7.39192E+00 6 7.65439E-01 2.69788E-01 4.58801E+00 2.39997E+01 1.41135E+02 9.27274E+02 P- 1 4.45734E+02 1.66773E+01 7.91573E-02 7.74277E-03 9.01896E-04 1.22095E-04 2 9.66794E+01 6.01394E+00 2.38307E-01 6.60453E-02 2.03686E-02 6.92245E-03 3 2.19370E+01 2.41238E+00 5.80540E-01 3.83230E-01 2.77854E-01 2.19693E-01 4 3.02577E+00 8.24491E-01 1.58310E+00 2.84840E+00 5.71497E+00 1.27459E+01 P+ 1 2.99127E+02 1.48144E+01 8.58468E-02 8.97479E-03 1.10916E-03 1.58573E-04 2 6.58791E+01 5.54721E+00 2.50939E-01 7.30380E-02 2.36295E-02 8.41537E-03 3 1.51581E+01 2.26341E+00 6.08105E-01 4.20331E-01 3.19180E-01 2.64410E-01 4 2.06598E+00 7.70353E-01 1.67892E+00 3.20713E+00 6.84630E+00 1.62884E+01 D- 1 3.66093E+01 5.40742E+00 2.23212E-01 5.86440E-02 1.78014E-02 6.15483E-03 2 7.52736E+00 2.03584E+00 6.50451E-01 4.90961E-01 4.16661E-01 3.95224E-01 D+ 1 3.47096E+01 5.29056E+00 2.27168E-01 6.06060E-02 1.86573E-02 6.53683E-03 2 7.12573E+00 1.99654E+00 6.60876E-01 5.06666E-01 4.36807E-01 4.20992E-01 F- 1 2.77557E+00 1.44892E+00 9.11709E-01 1.09688E+00 1.72814E+00 3.50443E+00 F+ 1 2.71036E+00 1.43108E+00 9.25461E-01 1.13446E+00 1.82880E+00 3.80892E+00 ***************************************************************************************** ***************************************************************************************** Gd [Xe]6s(2)4f(7)5d(1) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 64.0 Atomic Mass = 158.0 Nuclear Radius = 1.241652E-04 Speed of Light = 137.0359955 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 0.00093240 0.0 0.0 0.0 1.0 0.0 6.0 1.0 2 0.01958042 0.0 0.0 0.0 1.0 0.0 5.0 2.0 3 0.09790210 0.0 0.0 0.0 1.0 0.0 4.0 3.0 4 0.16317016 0.0 0.0 0.0 1.0 0.0 3.0 4.0 5 0.09790210 0.0 0.0 0.0 1.0 0.0 2.0 5.0 6 0.01958042 0.0 0.0 0.0 1.0 0.0 1.0 6.0 7 0.00093240 0.0 0.0 0.0 1.0 0.0 0.0 7.0 8 0.00139860 0.0 0.0 0.0 0.0 1.0 6.0 1.0 9 0.02937063 0.0 0.0 0.0 0.0 1.0 5.0 2.0 10 0.14685315 0.0 0.0 0.0 0.0 1.0 4.0 3.0 11 0.24475524 0.0 0.0 0.0 0.0 1.0 3.0 4.0 12 0.14685315 0.0 0.0 0.0 0.0 1.0 2.0 5.0 13 0.02937063 0.0 0.0 0.0 0.0 1.0 1.0 6.0 14 0.00139860 0.0 0.0 0.0 0.0 1.0 0.0 7.0 ENERGIES Total Energy = -1.12742243192755E+04 Mass Energy = -1.12727383306153E+04 Kinetic Energy = 2.35640752060650E+04 Potential Energy = -2.35655611947251E+04 NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 2.4700000E+08 1.0000000E+00 1.0000000E+00 2 1.3984373E+08 1.0000000E+00 1.0000000E+00 3 7.9175181E+07 1.0000000E+00 1.0000000E+00 4 4.4826530E+07 1.0000000E+00 1.0000000E+00 5 2.5379390E+07 1.0000000E+00 1.0000000E+00 6 1.4369023E+07 1.0000000E+00 1.0000000E+00 7 8.1352946E+06 1.0000000E+00 1.0000000E+00 8 4.6059513E+06 1.0000000E+00 1.0000000E+00 9 2.6077466E+06 1.0000000E+00 1.0000000E+00 10 1.4764252E+06 1.0000000E+00 1.0000000E+00 11 8.3590612E+05 1.0000000E+00 1.0000000E+00 12 4.7326410E+05 1.0000000E+00 1.0000000E+00 13 2.6794744E+05 1.0000000E+00 1.0000000E+00 14 1.5170352E+05 1.0000000E+00 1.0000000E+00 15 8.5889827E+04 1.0000000E+00 1.0000000E+00 16 4.8628154E+04 1.0000000E+00 1.0000000E+00 17 2.7531751E+04 1.0000000E+00 1.0000000E+00 18 1.5587623E+04 1.0000000E+00 1.0000000E+00 19 8.8252283E+03 1.0000000E+00 1.0000000E+00 20 4.9965703E+03 1.0000000E+00 1.0000000E+00 21 2.8289030E+03 1.0000000E+00 1.0000000E+00 22 1.6016371E+03 1.0000000E+00 1.0000000E+00 23 9.0679719E+02 1.0000000E+00 1.0000000E+00 24 5.1340042E+02 1.0000000E+00 1.0000000E+00 25 2.9067138E+02 1.0000000E+00 1.0000000E+00 26 1.6456911E+02 1.0000000E+00 1.0000000E+00 27 9.3173924E+01 1.0000000E+00 1.0000000E+00 28 5.2752184E+01 1.0000000E+00 1.0000000E+00 29 2.9866649E+01 1.0000000E+00 1.0000000E+00 30 1.6909570E+01 1.0000000E+00 1.0000000E+00 31 9.5736734E+00 1.0000000E+00 1.0000000E+00 32 5.4203167E+00 1.0000000E+00 1.0000000E+00 33 3.0688151E+00 1.0000000E+00 1.0000000E+00 34 1.7374678E+00 1.0000000E+00 1.0000000E+00 35 9.8370036E-01 1.0000000E+00 1.0000000E+00 36 5.5694061E-01 1.0000000E+00 1.0000000E+00 37 3.1532248E-01 1.0000000E+00 1.0000000E+00 38 1.7852580E-01 1.0000000E+00 1.0000000E+00 39 1.0107577E-01 1.0000000E+00 1.0000000E+00 40 5.7225962E-02 1.0000000E+00 1.0000000E+00 41 3.2399564E-02 1.0000000E+00 1.0000000E+00 42 1.8343627E-02 1.0000000E+00 1.0000000E+00 43 1.0385592E-02 1.0000000E+00 1.0000000E+00 44 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.3985048E+08 1.0000000E+00 1.0000000E+00 3 7.8389406E+07 1.0000000E+00 1.0000000E+00 4 4.3939063E+07 1.0000000E+00 1.0000000E+00 5 2.4628854E+07 1.0000000E+00 1.0000000E+00 6 1.3805038E+07 1.0000000E+00 1.0000000E+00 7 7.7380410E+06 1.0000000E+00 1.0000000E+00 8 4.3373497E+06 1.0000000E+00 1.0000000E+00 9 2.4311841E+06 1.0000000E+00 1.0000000E+00 10 1.3627345E+06 1.0000000E+00 1.0000000E+00 11 7.6384401E+05 1.0000000E+00 1.0000000E+00 12 4.2815211E+05 1.0000000E+00 1.0000000E+00 13 2.3998909E+05 1.0000000E+00 1.0000000E+00 14 1.3451940E+05 1.0000000E+00 1.0000000E+00 15 7.5401213E+04 1.0000000E+00 1.0000000E+00 16 4.2264112E+04 1.0000000E+00 1.0000000E+00 17 2.3690005E+04 1.0000000E+00 1.0000000E+00 18 1.3278792E+04 1.0000000E+00 1.0000000E+00 19 7.4430679E+03 1.0000000E+00 1.0000000E+00 20 4.1720105E+03 1.0000000E+00 1.0000000E+00 21 2.3385077E+03 1.0000000E+00 1.0000000E+00 22 1.3107873E+03 1.0000000E+00 1.0000000E+00 23 7.3472638E+02 1.0000000E+00 1.0000000E+00 24 4.1183101E+02 1.0000000E+00 1.0000000E+00 25 2.3084074E+02 1.0000000E+00 1.0000000E+00 26 1.2939154E+02 1.0000000E+00 1.0000000E+00 27 7.2526928E+01 1.0000000E+00 1.0000000E+00 28 4.0653009E+01 1.0000000E+00 1.0000000E+00 29 2.2786945E+01 1.0000000E+00 1.0000000E+00 30 1.2772606E+01 1.0000000E+00 1.0000000E+00 31 7.1593392E+00 1.0000000E+00 1.0000000E+00 32 4.0129740E+00 1.0000000E+00 1.0000000E+00 33 2.2493641E+00 1.0000000E+00 1.0000000E+00 34 1.2608203E+00 1.0000000E+00 1.0000000E+00 35 7.0671871E-01 1.0000000E+00 1.0000000E+00 36 3.9613207E-01 1.0000000E+00 1.0000000E+00 37 2.2204112E-01 1.0000000E+00 1.0000000E+00 38 1.2445915E-01 1.0000000E+00 1.0000000E+00 39 6.9762212E-02 1.0000000E+00 1.0000000E+00 40 3.9103322E-02 1.0000000E+00 1.0000000E+00 41 2.1918310E-02 1.0000000E+00 1.0000000E+00 42 1.2285716E-02 1.0000000E+00 1.0000000E+00 43 6.8864261E-03 1.0000000E+00 1.0000000E+00 44 3.8600000E-03 1.0000000E+00 1.0000000E+00 P+ 1 2.0100000E+07 1.0000000E+00 1.0000000E+00 2 1.1922144E+07 1.0000000E+00 1.0000000E+00 3 7.0715183E+06 1.0000000E+00 1.0000000E+00 4 4.1944110E+06 1.0000000E+00 1.0000000E+00 5 2.4878792E+06 1.0000000E+00 1.0000000E+00 6 1.4756644E+06 1.0000000E+00 1.0000000E+00 7 8.7527777E+05 1.0000000E+00 1.0000000E+00 8 5.1916357E+05 1.0000000E+00 1.0000000E+00 9 3.0793745E+05 1.0000000E+00 1.0000000E+00 10 1.8265048E+05 1.0000000E+00 1.0000000E+00 11 1.0833758E+05 1.0000000E+00 1.0000000E+00 12 6.4259514E+04 1.0000000E+00 1.0000000E+00 13 3.8114984E+04 1.0000000E+00 1.0000000E+00 14 2.2607579E+04 1.0000000E+00 1.0000000E+00 15 1.3409493E+04 1.0000000E+00 1.0000000E+00 16 7.9537267E+03 1.0000000E+00 1.0000000E+00 17 4.7176853E+03 1.0000000E+00 1.0000000E+00 18 2.7982549E+03 1.0000000E+00 1.0000000E+00 19 1.6597611E+03 1.0000000E+00 1.0000000E+00 20 9.8447319E+02 1.0000000E+00 1.0000000E+00 21 5.8393190E+02 1.0000000E+00 1.0000000E+00 22 3.4635424E+02 1.0000000E+00 1.0000000E+00 23 2.0543707E+02 1.0000000E+00 1.0000000E+00 24 1.2185325E+02 1.0000000E+00 1.0000000E+00 25 7.2276219E+01 1.0000000E+00 1.0000000E+00 26 4.2870025E+01 1.0000000E+00 1.0000000E+00 27 2.5427991E+01 1.0000000E+00 1.0000000E+00 28 1.5082396E+01 1.0000000E+00 1.0000000E+00 29 8.9459951E+00 1.0000000E+00 1.0000000E+00 30 5.3062409E+00 1.0000000E+00 1.0000000E+00 31 3.1473517E+00 1.0000000E+00 1.0000000E+00 32 1.8668249E+00 1.0000000E+00 1.0000000E+00 33 1.1072913E+00 1.0000000E+00 1.0000000E+00 34 6.5678041E-01 1.0000000E+00 1.0000000E+00 35 3.8956371E-01 1.0000000E+00 1.0000000E+00 36 2.3106640E-01 1.0000000E+00 1.0000000E+00 37 1.3705507E-01 1.0000000E+00 1.0000000E+00 38 8.1293050E-02 1.0000000E+00 1.0000000E+00 39 4.8218281E-02 1.0000000E+00 1.0000000E+00 40 2.8600263E-02 1.0000000E+00 1.0000000E+00 41 1.6964003E-02 1.0000000E+00 1.0000000E+00 42 1.0062054E-02 1.0000000E+00 1.0000000E+00 43 5.9682218E-03 1.0000000E+00 1.0000000E+00 44 3.5400000E-03 1.0000000E+00 1.0000000E+00 D- 1 8.2000000E+05 1.0000000E+00 1.0000000E+00 2 4.7626832E+05 1.0000000E+00 1.0000000E+00 3 2.7662380E+05 1.0000000E+00 1.0000000E+00 4 1.6066726E+05 1.0000000E+00 1.0000000E+00 5 9.3317959E+04 1.0000000E+00 1.0000000E+00 6 5.4200473E+04 1.0000000E+00 1.0000000E+00 7 3.1480449E+04 1.0000000E+00 1.0000000E+00 8 1.8284318E+04 1.0000000E+00 1.0000000E+00 9 1.0619807E+04 1.0000000E+00 1.0000000E+00 10 6.1681434E+03 1.0000000E+00 1.0000000E+00 11 3.5825504E+03 1.0000000E+00 1.0000000E+00 12 2.0807991E+03 1.0000000E+00 1.0000000E+00 13 1.2085594E+03 1.0000000E+00 1.0000000E+00 14 7.0194945E+02 1.0000000E+00 1.0000000E+00 15 4.0770279E+02 1.0000000E+00 1.0000000E+00 16 2.3679991E+02 1.0000000E+00 1.0000000E+00 17 1.3753695E+02 1.0000000E+00 1.0000000E+00 18 7.9883525E+01 1.0000000E+00 1.0000000E+00 19 4.6397552E+01 1.0000000E+00 1.0000000E+00 20 2.6948395E+01 1.0000000E+00 1.0000000E+00 21 1.5652033E+01 1.0000000E+00 1.0000000E+00 22 9.0909360E+00 1.0000000E+00 1.0000000E+00 23 5.2801523E+00 1.0000000E+00 1.0000000E+00 24 3.0667918E+00 1.0000000E+00 1.0000000E+00 25 1.7812388E+00 1.0000000E+00 1.0000000E+00 26 1.0345702E+00 1.0000000E+00 1.0000000E+00 27 6.0089395E-01 1.0000000E+00 1.0000000E+00 28 3.4900823E-01 1.0000000E+00 1.0000000E+00 29 2.0270923E-01 1.0000000E+00 1.0000000E+00 30 1.1773657E-01 1.0000000E+00 1.0000000E+00 31 6.8383167E-02 1.0000000E+00 1.0000000E+00 32 3.9717971E-02 1.0000000E+00 1.0000000E+00 33 2.3068794E-02 1.0000000E+00 1.0000000E+00 34 1.3398703E-02 1.0000000E+00 1.0000000E+00 35 7.7821678E-03 1.0000000E+00 1.0000000E+00 36 4.5200000E-03 1.0000000E+00 1.0000000E+00 D+ 1 1.6500000E+05 1.0000000E+00 1.0000000E+00 2 9.9977070E+04 1.0000000E+00 1.0000000E+00 3 6.0578269E+04 1.0000000E+00 1.0000000E+00 4 3.6705684E+04 1.0000000E+00 1.0000000E+00 5 2.2240768E+04 1.0000000E+00 1.0000000E+00 6 1.3476162E+04 1.0000000E+00 1.0000000E+00 7 8.1654983E+03 1.0000000E+00 1.0000000E+00 8 4.9476521E+03 1.0000000E+00 1.0000000E+00 9 2.9978894E+03 1.0000000E+00 1.0000000E+00 10 1.8164861E+03 1.0000000E+00 1.0000000E+00 11 1.1006482E+03 1.0000000E+00 1.0000000E+00 12 6.6690656E+02 1.0000000E+00 1.0000000E+00 13 4.0409311E+02 1.0000000E+00 1.0000000E+00 14 2.4484876E+02 1.0000000E+00 1.0000000E+00 15 1.4835916E+02 1.0000000E+00 1.0000000E+00 16 8.9894024E+01 1.0000000E+00 1.0000000E+00 17 5.4468734E+01 1.0000000E+00 1.0000000E+00 18 3.3003784E+01 1.0000000E+00 1.0000000E+00 19 1.9997707E+01 1.0000000E+00 1.0000000E+00 20 1.2117043E+01 1.0000000E+00 1.0000000E+00 21 7.3419786E+00 1.0000000E+00 1.0000000E+00 22 4.4486637E+00 1.0000000E+00 1.0000000E+00 23 2.6955416E+00 1.0000000E+00 1.0000000E+00 24 1.6332869E+00 1.0000000E+00 1.0000000E+00 25 9.8964389E-01 1.0000000E+00 1.0000000E+00 26 5.9964664E-01 1.0000000E+00 1.0000000E+00 27 3.6333887E-01 1.0000000E+00 1.0000000E+00 28 2.2015488E-01 1.0000000E+00 1.0000000E+00 29 1.3339661E-01 1.0000000E+00 1.0000000E+00 30 8.0827890E-02 1.0000000E+00 1.0000000E+00 31 4.8975367E-02 1.0000000E+00 1.0000000E+00 32 2.9675234E-02 1.0000000E+00 1.0000000E+00 33 1.7980866E-02 1.0000000E+00 1.0000000E+00 34 1.0894996E-02 1.0000000E+00 1.0000000E+00 35 6.6015138E-03 1.0000000E+00 1.0000000E+00 36 4.0000000E-03 1.0000000E+00 1.0000000E+00 F- 1 9.8000000E+03 1.0000000E+00 1.0000000E+00 2 6.3777470E+03 1.0000000E+00 1.0000000E+00 3 4.1505772E+03 1.0000000E+00 1.0000000E+00 4 2.7011562E+03 1.0000000E+00 1.0000000E+00 5 1.7578868E+03 1.0000000E+00 1.0000000E+00 6 1.1440160E+03 1.0000000E+00 1.0000000E+00 7 7.4451478E+02 1.0000000E+00 1.0000000E+00 8 4.8452315E+02 1.0000000E+00 1.0000000E+00 9 3.1532307E+02 1.0000000E+00 1.0000000E+00 10 2.0520926E+02 1.0000000E+00 1.0000000E+00 11 1.3354824E+02 1.0000000E+00 1.0000000E+00 12 8.6911924E+01 1.0000000E+00 1.0000000E+00 13 5.6561455E+01 1.0000000E+00 1.0000000E+00 14 3.6809658E+01 1.0000000E+00 1.0000000E+00 15 2.3955376E+01 1.0000000E+00 1.0000000E+00 16 1.5589931E+01 1.0000000E+00 1.0000000E+00 17 1.0145779E+01 1.0000000E+00 1.0000000E+00 18 6.6027768E+00 1.0000000E+00 1.0000000E+00 19 4.2970244E+00 1.0000000E+00 1.0000000E+00 20 2.7964627E+00 1.0000000E+00 1.0000000E+00 21 1.8199114E+00 1.0000000E+00 1.0000000E+00 22 1.1843810E+00 1.0000000E+00 1.0000000E+00 23 7.7078394E-01 1.0000000E+00 1.0000000E+00 24 5.0161887E-01 1.0000000E+00 1.0000000E+00 25 3.2644880E-01 1.0000000E+00 1.0000000E+00 26 2.1244978E-01 1.0000000E+00 1.0000000E+00 27 1.3826030E-01 1.0000000E+00 1.0000000E+00 28 8.9978489E-02 1.0000000E+00 1.0000000E+00 29 5.8557147E-02 1.0000000E+00 1.0000000E+00 30 3.8108435E-02 1.0000000E+00 1.0000000E+00 31 2.4800608E-02 1.0000000E+00 1.0000000E+00 32 1.6140000E-02 1.0000000E+00 1.0000000E+00 F+ 1 7.7500000E+03 1.0000000E+00 1.0000000E+00 2 5.0688668E+03 1.0000000E+00 1.0000000E+00 3 3.3152788E+03 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5.3049222E-08 -4.2053755E-07 71 3.5144629E-09 -1.9106687E-08 -8.3568950E-09 72 -4.3254311E-09 2.0175008E-09 1.9248378E-09 3D+ 4D+ 5D+ -4.5060553E+01 -6.1487564E+00 -2.1950807E-01 ------------ ------------ ------------ *** Large-Component *** 1 1.6422181E-07 -7.5610797E-08 -1.6455173E-08 2 -6.1931430E-08 1.9035896E-08 4.1497377E-09 3 6.6444896E-07 -2.8635931E-07 -6.2338082E-08 4 8.3047916E-07 -4.5657557E-07 -9.9315672E-08 5 3.2692711E-06 -1.4265663E-06 -3.1055799E-07 6 8.6295169E-06 -4.3215355E-06 -9.4036459E-07 7 2.4558391E-05 -1.1240446E-05 -2.4467973E-06 8 7.1710468E-05 -3.4768846E-05 -7.5675207E-06 9 2.0228838E-04 -9.4828532E-05 -2.0644371E-05 10 5.8460783E-04 -2.8036108E-04 -6.1042928E-05 11 1.6393499E-03 -7.7764783E-04 -1.6937344E-04 12 4.5621493E-03 -2.1892538E-03 -4.7704507E-04 13 1.2056900E-02 -5.7829260E-03 -1.2609627E-03 14 2.9830100E-02 -1.4460690E-02 -3.1563540E-03 15 6.7237636E-02 -3.2901855E-02 -7.1938065E-03 16 1.3363038E-01 -6.6381586E-02 -1.4540320E-02 17 2.1820739E-01 -1.0729801E-01 -2.3471253E-02 18 2.8479272E-01 -1.3535293E-01 -2.9478173E-02 19 2.6340348E-01 -9.3060125E-02 -1.8823005E-02 20 1.4846126E-01 6.8683100E-02 2.1307566E-02 21 4.6980584E-02 2.5622023E-01 6.6740870E-02 22 6.9676455E-03 3.4839667E-01 9.0062398E-02 23 8.8018673E-04 2.8571238E-01 6.8783137E-02 24 8.5748967E-06 1.4591457E-01 -4.6420995E-03 25 1.3776246E-04 4.5725955E-02 -9.7373039E-02 26 -7.0043370E-05 8.1460179E-03 -1.7847709E-01 27 6.4685313E-05 1.2539727E-03 -2.3283955E-01 28 -4.6718880E-05 1.0639118E-04 -2.4750501E-01 29 3.5303828E-05 9.4264490E-05 -2.1834862E-01 30 -2.6335885E-05 -3.1503429E-05 -1.5724996E-01 31 1.8634824E-05 4.0003260E-05 -8.3022574E-02 32 -1.2899764E-05 -2.0953734E-05 -2.5655840E-02 33 8.1675637E-06 1.5111581E-05 -3.1392550E-03 34 -4.5211722E-06 -8.2722126E-06 -9.8263941E-05 35 1.9261805E-06 3.5468083E-06 7.5811678E-06 36 -4.6593707E-07 -8.6103896E-07 -2.1169386E-06 *** Small-Component *** 37 2.5880543E-07 -1.1543033E-07 -2.5121176E-08 38 1.3782082E-08 -3.3744281E-08 -7.3227167E-09 39 7.5937795E-07 -2.9863968E-07 -6.5024688E-08 40 1.2321832E-06 -6.9082145E-07 -1.5023938E-07 41 3.1435367E-06 -1.3211868E-06 -2.8760482E-07 42 7.6856088E-06 -3.8858712E-06 -8.4539742E-07 43 1.7315845E-05 -7.8577984E-06 -1.7101888E-06 44 4.2029677E-05 -2.0407797E-05 -4.4409746E-06 45 9.5318696E-05 -4.4562328E-05 -9.6995206E-06 46 2.2171705E-04 -1.0625167E-04 -2.3129921E-05 47 4.9514964E-04 -2.3451936E-04 -5.1069642E-05 48 1.0928211E-03 -5.2383202E-04 -1.1412513E-04 49 2.2781503E-03 -1.0913788E-03 -2.3793618E-04 50 4.4298559E-03 -2.1452251E-03 -4.6817232E-04 51 7.8255046E-03 -3.8254945E-03 -8.3630905E-04 52 1.2164310E-02 -6.0375002E-03 -1.3223108E-03 53 1.5504418E-02 -7.6184326E-03 -1.6663663E-03 54 1.5778629E-02 -7.4952039E-03 -1.6322741E-03 55 1.1373198E-02 -4.0190650E-03 -8.1311390E-04 56 4.9924889E-03 2.3030076E-03 7.1459809E-04 57 1.2300863E-03 6.6990609E-03 1.7448275E-03 58 1.4198538E-04 7.0930718E-03 1.8334165E-03 59 1.3976546E-05 4.5285895E-03 1.0901540E-03 60 9.2131341E-08 1.8003716E-03 -5.7189067E-05 61 1.3333546E-06 4.3918158E-04 -9.3503891E-04 62 -5.3112842E-07 6.0900033E-05 -1.3341410E-03 63 3.8186493E-07 7.2984789E-06 -1.3548519E-03 64 -2.1557116E-07 4.8110096E-07 -1.1210654E-03 65 1.2732903E-07 3.3295735E-07 -7.6985162E-04 66 -7.4319820E-08 -8.6886308E-08 -4.3157509E-04 67 4.1244160E-08 8.5757925E-08 -1.7736606E-04 68 -2.2425657E-08 -3.5045887E-08 -4.2664824E-05 69 1.1193517E-08 1.9688776E-08 -4.0636324E-06 70 -4.9064484E-09 -8.4069999E-09 -9.9034342E-08 71 1.6669077E-09 2.8138271E-09 5.9555508E-09 72 -3.2502997E-10 -5.3401199E-10 -1.2948256E-09 4F- -7.3906854E-01 ------------ *** Large-Component *** 1 -5.3757337E-07 2 5.9611396E-07 3 -2.2034881E-06 4 -3.1902392E-07 5 -7.5941874E-06 6 -1.3329329E-05 7 -4.5935273E-05 8 -1.2119345E-04 9 -3.4604025E-04 10 -9.2049192E-04 11 -2.4254800E-03 12 -6.1042090E-03 13 -1.4040032E-02 14 -2.8588874E-02 15 -5.4042376E-02 16 -9.3520711E-02 17 -1.3843630E-01 18 -1.7502470E-01 19 -1.9509903E-01 20 -1.9368500E-01 21 -1.7125474E-01 22 -1.3602308E-01 23 -9.7255670E-02 24 -6.1221441E-02 25 -3.2526369E-02 26 -1.3903676E-02 27 -4.4839601E-03 28 -9.9829575E-04 29 -1.4570651E-04 30 -1.6637888E-05 31 -1.2063876E-06 32 -1.1230887E-07 *** Small-Component *** 33 -1.5165292E-07 34 5.3583090E-08 35 -5.2779831E-07 36 -5.2242060E-07 37 -2.0798955E-06 38 -4.3529677E-06 39 -1.1359264E-05 40 -2.6604027E-05 41 -6.2494325E-05 42 -1.3815992E-04 43 -2.9771783E-04 44 -6.1124643E-04 45 -1.1419266E-03 46 -1.8846866E-03 47 -2.8816930E-03 48 -4.0299119E-03 49 -4.8177133E-03 50 -4.9172375E-03 51 -4.4235651E-03 52 -3.5435822E-03 53 -2.5279560E-03 54 -1.6199558E-03 55 -9.3442217E-04 56 -4.7453446E-04 57 -2.0337708E-04 58 -7.0129592E-05 59 -1.8239388E-05 60 -3.2733900E-06 61 -3.8411989E-07 62 -3.3720381E-08 63 -2.4180028E-09 64 6.0751961E-10 4F+ -7.1109052E-01 ------------ *** Large-Component *** 1 2.2952913E-07 2 -1.0521362E-07 3 1.2197153E-06 4 1.4969966E-06 5 7.2615248E-06 6 1.8903610E-05 7 5.9923771E-05 8 1.7161186E-04 9 4.8529757E-04 10 1.3012910E-03 11 3.3928475E-03 12 8.2963546E-03 13 1.8151413E-02 14 3.5692478E-02 15 6.5561095E-02 16 1.0722286E-01 17 1.4930524E-01 18 1.8061102E-01 19 1.9446840E-01 20 1.8674957E-01 21 1.6046767E-01 22 1.2473017E-01 23 8.7496774E-02 24 5.3885106E-02 25 2.7923655E-02 26 1.1615735E-02 27 3.6245472E-03 28 7.7700318E-04 29 1.0955463E-04 30 1.2480319E-05 31 8.2066249E-07 32 7.8397134E-08 *** Small-Component *** 33 1.7292370E-07 34 -4.7351991E-08 35 6.4150496E-07 36 7.3460981E-07 37 2.7321415E-06 38 5.9943621E-06 39 1.5455952E-05 40 3.6321041E-05 41 8.3695712E-05 42 1.8275403E-04 43 3.8726064E-04 44 7.6868407E-04 45 1.3632257E-03 46 2.1711948E-03 47 3.2290344E-03 48 4.2741429E-03 49 4.8152423E-03 50 4.7118766E-03 51 4.1036144E-03 52 3.1872711E-03 53 2.2149796E-03 54 1.3924148E-03 55 7.8994869E-04 56 3.9344590E-04 57 1.6488962E-04 58 5.5472433E-05 59 1.3998421E-05 60 2.4271157E-06 61 2.7663339E-07 62 2.5554722E-08 63 1.3309373E-09 64 1.1077765E-10 RADIAL MOMENTS Sym Orb S+ 1 1.17000E+04 7.16452E+01 2.19032E-02 6.54728E-04 2.48287E-05 1.14202E-06 2 1.48110E+03 1.71132E+01 9.26645E-02 1.02006E-02 1.27941E-03 1.80719E-04 3 3.20401E+02 6.25487E+00 2.43120E-01 6.76848E-02 2.07458E-02 6.93923E-03 4 7.50628E+01 2.58860E+00 5.52924E-01 3.44821E-01 2.34481E-01 1.72528E-01 5 1.21835E+01 9.75080E-01 1.35326E+00 2.05777E+00 3.43769E+00 6.27897E+00 6 9.45053E-01 2.91158E-01 4.27599E+00 2.08574E+01 1.14396E+02 7.01350E+02 P- 1 4.68937E+02 1.70488E+01 7.75478E-02 7.43507E-03 8.49085E-04 1.12708E-04 2 1.02277E+02 6.15730E+00 2.33176E-01 6.32422E-02 1.90854E-02 6.34593E-03 3 2.34261E+01 2.47947E+00 5.65902E-01 3.64096E-01 2.57152E-01 1.97925E-01 4 3.39100E+00 8.65206E-01 1.51251E+00 2.59546E+00 4.95445E+00 1.04889E+01 P+ 1 3.09920E+02 1.50783E+01 8.43456E-02 8.66332E-03 1.05183E-03 1.47718E-04 2 6.86518E+01 5.66233E+00 2.45969E-01 7.01772E-02 2.22521E-02 7.76545E-03 3 1.59520E+01 2.32113E+00 5.93594E-01 4.00432E-01 2.96584E-01 2.39463E-01 4 2.28904E+00 8.08051E-01 1.60390E+00 2.92135E+00 5.93083E+00 1.33867E+01 D- 1 3.82005E+01 5.52398E+00 2.18445E-01 5.61498E-02 1.66707E-02 5.63609E-03 2 7.97448E+00 2.09643E+00 6.31650E-01 4.62564E-01 3.80261E-01 3.48696E-01 3 5.43881E-01 4.89794E-01 2.67558E+00 8.66348E+00 3.34478E+01 1.52175E+02 D+ 1 3.61512E+01 5.40056E+00 2.22447E-01 5.80913E-02 1.74991E-02 5.99763E-03 2 7.53672E+00 2.05495E+00 6.41971E-01 4.77626E-01 3.98944E-01 3.71755E-01 3 5.06088E-01 4.77303E-01 2.73836E+00 9.06770E+00 3.57709E+01 1.66126E+02 F- 1 3.14135E+00 1.55486E+00 8.28885E-01 8.78713E-01 1.17878E+00 1.97136E+00 F+ 1 3.07391E+00 1.53804E+00 8.38886E-01 9.01623E-01 1.22880E+00 2.09208E+00 ***************************************************************************************** ***************************************************************************************** Tb [Xe]6s(2)4f(9) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 65.0 Atomic Mass = 159.0 Nuclear Radius = 1.243973E-04 Speed of Light = 137.0359955 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 0.02797203 0.0 0.0 0.0 0.0 0.0 6.0 3.0 2 0.20979021 0.0 0.0 0.0 0.0 0.0 5.0 4.0 3 0.41958042 0.0 0.0 0.0 0.0 0.0 4.0 5.0 4 0.27972028 0.0 0.0 0.0 0.0 0.0 3.0 6.0 5 0.05994006 0.0 0.0 0.0 0.0 0.0 2.0 7.0 6 0.00299700 0.0 0.0 0.0 0.0 0.0 1.0 8.0 ENERGIES Total Energy = -1.17125386018974E+04 Mass Energy = -1.17108947008228E+04 Kinetic Energy = 2.45169247790895E+04 Potential Energy = -2.45185686801641E+04 NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 2.4700000E+08 1.0000000E+00 1.0000000E+00 2 1.3984373E+08 1.0000000E+00 1.0000000E+00 3 7.9175181E+07 1.0000000E+00 1.0000000E+00 4 4.4826530E+07 1.0000000E+00 1.0000000E+00 5 2.5379390E+07 1.0000000E+00 1.0000000E+00 6 1.4369023E+07 1.0000000E+00 1.0000000E+00 7 8.1352946E+06 1.0000000E+00 1.0000000E+00 8 4.6059513E+06 1.0000000E+00 1.0000000E+00 9 2.6077466E+06 1.0000000E+00 1.0000000E+00 10 1.4764252E+06 1.0000000E+00 1.0000000E+00 11 8.3590612E+05 1.0000000E+00 1.0000000E+00 12 4.7326410E+05 1.0000000E+00 1.0000000E+00 13 2.6794744E+05 1.0000000E+00 1.0000000E+00 14 1.5170352E+05 1.0000000E+00 1.0000000E+00 15 8.5889827E+04 1.0000000E+00 1.0000000E+00 16 4.8628154E+04 1.0000000E+00 1.0000000E+00 17 2.7531751E+04 1.0000000E+00 1.0000000E+00 18 1.5587623E+04 1.0000000E+00 1.0000000E+00 19 8.8252283E+03 1.0000000E+00 1.0000000E+00 20 4.9965703E+03 1.0000000E+00 1.0000000E+00 21 2.8289030E+03 1.0000000E+00 1.0000000E+00 22 1.6016371E+03 1.0000000E+00 1.0000000E+00 23 9.0679719E+02 1.0000000E+00 1.0000000E+00 24 5.1340042E+02 1.0000000E+00 1.0000000E+00 25 2.9067138E+02 1.0000000E+00 1.0000000E+00 26 1.6456911E+02 1.0000000E+00 1.0000000E+00 27 9.3173924E+01 1.0000000E+00 1.0000000E+00 28 5.2752184E+01 1.0000000E+00 1.0000000E+00 29 2.9866649E+01 1.0000000E+00 1.0000000E+00 30 1.6909570E+01 1.0000000E+00 1.0000000E+00 31 9.5736734E+00 1.0000000E+00 1.0000000E+00 32 5.4203167E+00 1.0000000E+00 1.0000000E+00 33 3.0688151E+00 1.0000000E+00 1.0000000E+00 34 1.7374678E+00 1.0000000E+00 1.0000000E+00 35 9.8370036E-01 1.0000000E+00 1.0000000E+00 36 5.5694061E-01 1.0000000E+00 1.0000000E+00 37 3.1532248E-01 1.0000000E+00 1.0000000E+00 38 1.7852580E-01 1.0000000E+00 1.0000000E+00 39 1.0107577E-01 1.0000000E+00 1.0000000E+00 40 5.7225962E-02 1.0000000E+00 1.0000000E+00 41 3.2399564E-02 1.0000000E+00 1.0000000E+00 42 1.8343627E-02 1.0000000E+00 1.0000000E+00 43 1.0385592E-02 1.0000000E+00 1.0000000E+00 44 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.3985048E+08 1.0000000E+00 1.0000000E+00 3 7.8389406E+07 1.0000000E+00 1.0000000E+00 4 4.3939063E+07 1.0000000E+00 1.0000000E+00 5 2.4628854E+07 1.0000000E+00 1.0000000E+00 6 1.3805038E+07 1.0000000E+00 1.0000000E+00 7 7.7380410E+06 1.0000000E+00 1.0000000E+00 8 4.3373497E+06 1.0000000E+00 1.0000000E+00 9 2.4311841E+06 1.0000000E+00 1.0000000E+00 10 1.3627345E+06 1.0000000E+00 1.0000000E+00 11 7.6384401E+05 1.0000000E+00 1.0000000E+00 12 4.2815211E+05 1.0000000E+00 1.0000000E+00 13 2.3998909E+05 1.0000000E+00 1.0000000E+00 14 1.3451940E+05 1.0000000E+00 1.0000000E+00 15 7.5401213E+04 1.0000000E+00 1.0000000E+00 16 4.2264112E+04 1.0000000E+00 1.0000000E+00 17 2.3690005E+04 1.0000000E+00 1.0000000E+00 18 1.3278792E+04 1.0000000E+00 1.0000000E+00 19 7.4430679E+03 1.0000000E+00 1.0000000E+00 20 4.1720105E+03 1.0000000E+00 1.0000000E+00 21 2.3385077E+03 1.0000000E+00 1.0000000E+00 22 1.3107873E+03 1.0000000E+00 1.0000000E+00 23 7.3472638E+02 1.0000000E+00 1.0000000E+00 24 4.1183101E+02 1.0000000E+00 1.0000000E+00 25 2.3084074E+02 1.0000000E+00 1.0000000E+00 26 1.2939154E+02 1.0000000E+00 1.0000000E+00 27 7.2526928E+01 1.0000000E+00 1.0000000E+00 28 4.0653009E+01 1.0000000E+00 1.0000000E+00 29 2.2786945E+01 1.0000000E+00 1.0000000E+00 30 1.2772606E+01 1.0000000E+00 1.0000000E+00 31 7.1593392E+00 1.0000000E+00 1.0000000E+00 32 4.0129740E+00 1.0000000E+00 1.0000000E+00 33 2.2493641E+00 1.0000000E+00 1.0000000E+00 34 1.2608203E+00 1.0000000E+00 1.0000000E+00 35 7.0671871E-01 1.0000000E+00 1.0000000E+00 36 3.9613207E-01 1.0000000E+00 1.0000000E+00 37 2.2204112E-01 1.0000000E+00 1.0000000E+00 38 1.2445915E-01 1.0000000E+00 1.0000000E+00 39 6.9762212E-02 1.0000000E+00 1.0000000E+00 40 3.9103322E-02 1.0000000E+00 1.0000000E+00 41 2.1918310E-02 1.0000000E+00 1.0000000E+00 42 1.2285716E-02 1.0000000E+00 1.0000000E+00 43 6.8864261E-03 1.0000000E+00 1.0000000E+00 44 3.8600000E-03 1.0000000E+00 1.0000000E+00 P+ 1 2.0100000E+07 1.0000000E+00 1.0000000E+00 2 1.1922144E+07 1.0000000E+00 1.0000000E+00 3 7.0715183E+06 1.0000000E+00 1.0000000E+00 4 4.1944110E+06 1.0000000E+00 1.0000000E+00 5 2.4878792E+06 1.0000000E+00 1.0000000E+00 6 1.4756644E+06 1.0000000E+00 1.0000000E+00 7 8.7527777E+05 1.0000000E+00 1.0000000E+00 8 5.1916357E+05 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1.0000000E+00 16 1.3287381E+01 1.0000000E+00 1.0000000E+00 17 8.6905763E+00 1.0000000E+00 1.0000000E+00 18 5.6840482E+00 1.0000000E+00 1.0000000E+00 19 3.7176366E+00 1.0000000E+00 1.0000000E+00 20 2.4315103E+00 1.0000000E+00 1.0000000E+00 21 1.5903228E+00 1.0000000E+00 1.0000000E+00 22 1.0401464E+00 1.0000000E+00 1.0000000E+00 23 6.8030498E-01 1.0000000E+00 1.0000000E+00 24 4.4495166E-01 1.0000000E+00 1.0000000E+00 25 2.9101945E-01 1.0000000E+00 1.0000000E+00 26 1.9034049E-01 1.0000000E+00 1.0000000E+00 27 1.2449169E-01 1.0000000E+00 1.0000000E+00 28 8.1423459E-02 1.0000000E+00 1.0000000E+00 29 5.3254797E-02 1.0000000E+00 1.0000000E+00 30 3.4831158E-02 1.0000000E+00 1.0000000E+00 31 2.2781226E-02 1.0000000E+00 1.0000000E+00 32 1.4900000E-02 1.0000000E+00 1.0000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -1.9221597E+03 -3.2303344E+02 -7.3544578E+01 -1.5457062E+01 -2.1447391E+00 -1.8548261E-01 ------------ ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 -5.4107280E-06 1.9724838E-06 -9.1735696E-07 4.4077258E-07 -1.7060393E-07 -4.2805402E-08 2 1.5447688E-05 -5.6279368E-06 2.6161614E-06 -1.2565248E-06 4.8626064E-07 1.2200251E-07 3 2.1568850E-05 -7.8762974E-06 3.6732754E-06 -1.7692762E-06 6.8557889E-07 1.7204026E-07 4 3.6904342E-05 -1.3466069E-05 6.2545708E-06 -3.0011307E-06 1.1608669E-06 2.9124338E-07 5 6.6173196E-05 -2.4199743E-05 1.1290124E-05 -5.4390098E-06 2.1077197E-06 5.2891942E-07 6 9.6009347E-05 -3.5128591E-05 1.6320982E-05 -7.8311161E-06 3.0290478E-06 7.5993764E-07 7 1.5916191E-04 -5.8373719E-05 2.7249123E-05 -1.3130185E-05 5.0886025E-06 1.2769663E-06 8 2.3722300E-04 -8.7138032E-05 4.0507892E-05 -1.9438452E-05 7.5188219E-06 1.8863521E-06 9 3.7840025E-04 -1.3943871E-04 6.5146830E-05 -3.1400877E-05 1.2170627E-05 3.0542104E-06 10 5.8265304E-04 -2.1527969E-04 1.0015396E-04 -4.8064608E-05 1.8591204E-05 4.6642338E-06 11 9.2962976E-04 -3.4501062E-04 1.6139832E-04 -7.7828277E-05 3.0169707E-05 7.5711986E-06 12 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-4.0912448E-05 60 -1.0709367E-05 61 -1.8046197E-06 62 -1.5735776E-07 63 -5.7146401E-09 64 5.6354975E-10 4F+ -4.5145567E-01 ------------ *** Large-Component *** 1 2.4998938E-07 2 -1.1326868E-07 3 1.3225940E-06 4 1.6380429E-06 5 7.8630314E-06 6 2.0551635E-05 7 6.4817643E-05 8 1.8543522E-04 9 5.2194902E-04 10 1.3974513E-03 11 3.6313008E-03 12 8.8127207E-03 13 1.9079840E-02 14 3.7296413E-02 15 6.7860715E-02 16 1.0891615E-01 17 1.4871015E-01 18 1.7686982E-01 19 1.8796044E-01 20 1.7988317E-01 21 1.5648300E-01 22 1.2580146E-01 23 9.4272597E-02 24 6.5013887E-02 25 3.9963410E-02 26 2.1092788E-02 27 9.0935278E-03 28 2.9330551E-03 29 6.0369243E-04 30 6.4136611E-05 31 2.4414858E-06 32 1.0838022E-07 *** Small-Component *** 33 1.8770953E-07 34 -5.0060327E-08 35 6.9351922E-07 36 8.0391639E-07 37 2.9545174E-06 38 6.5147630E-06 39 1.6710355E-05 40 3.9237905E-05 41 8.9999556E-05 42 1.9624339E-04 43 4.1447041E-04 44 8.1651976E-04 45 1.4329285E-03 46 2.2687890E-03 47 3.3423920E-03 48 4.3417279E-03 49 4.7961105E-03 50 4.6143145E-03 51 3.9662975E-03 52 3.0700773E-03 53 2.1599686E-03 54 1.4043656E-03 55 8.5111662E-04 56 4.7469976E-04 57 2.3598297E-04 58 1.0073040E-04 59 3.5120374E-05 60 9.1614545E-06 61 1.5248304E-06 62 1.3109016E-07 63 4.0057586E-09 64 1.5155123E-10 RADIAL MOMENTS Sym Orb S+ 1 1.22340E+04 7.30901E+01 2.15032E-02 6.31476E-04 2.35354E-05 1.06419E-06 2 1.55959E+03 1.74929E+01 9.08765E-02 9.81438E-03 1.20774E-03 1.67378E-04 3 3.38986E+02 6.40085E+00 2.38139E-01 6.49496E-02 1.95014E-02 6.38956E-03 4 7.94340E+01 2.64613E+00 5.41878E-01 3.31312E-01 2.20976E-01 1.59557E-01 5 1.22535E+01 9.74327E-01 1.35254E+00 2.05958E+00 3.45525E+00 6.35645E+00 6 8.20808E-01 2.76489E-01 4.47907E+00 2.29060E+01 1.31890E+02 8.49582E+02 P- 1 4.93367E+02 1.74271E+01 7.59803E-02 7.14140E-03 7.99675E-04 1.04098E-04 2 1.08206E+02 6.30332E+00 2.28198E-01 6.05836E-02 1.78957E-02 5.82379E-03 3 2.47820E+01 2.53562E+00 5.54288E-01 3.49503E-01 2.42069E-01 1.82849E-01 4 3.35315E+00 8.58176E-01 1.52279E+00 2.63839E+00 5.10447E+00 1.09930E+01 P+ 1 3.20977E+02 1.53440E+01 8.28859E-02 8.36567E-03 9.97993E-04 1.37702E-04 2 7.15112E+01 5.77860E+00 2.41156E-01 6.74644E-02 2.09736E-02 7.17544E-03 3 1.65993E+01 2.36646E+00 5.82675E-01 3.86063E-01 2.81050E-01 2.23238E-01 4 2.21189E+00 7.96632E-01 1.62406E+00 3.00481E+00 6.22303E+00 1.43886E+01 D- 1 3.98456E+01 5.64179E+00 2.13846E-01 5.38016E-02 1.56332E-02 5.17277E-03 2 8.30612E+00 2.13841E+00 6.19950E-01 4.46219E-01 3.61202E-01 3.26892E-01 D+ 1 3.76367E+01 5.51153E+00 2.17894E-01 5.57238E-02 1.64359E-02 5.51571E-03 2 7.82938E+00 2.09392E+00 6.30655E-01 4.61614E-01 3.80068E-01 3.49955E-01 F- 1 3.15460E+00 1.54662E+00 8.53015E-01 9.60615E-01 1.41979E+00 2.71018E+00 F+ 1 3.07144E+00 1.52509E+00 8.67859E-01 9.99033E-01 1.51749E+00 2.99156E+00 ***************************************************************************************** ***************************************************************************************** Dy [Xe]6s(2)4f(10) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 66.0 Atomic Mass = 164.0 Nuclear Radius = 1.255435E-04 Speed of Light = 137.0359955 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 0.06993007 0.0 0.0 0.0 0.0 0.0 6.0 4.0 2 0.33566434 0.0 0.0 0.0 0.0 0.0 5.0 5.0 3 0.41958042 0.0 0.0 0.0 0.0 0.0 4.0 6.0 4 0.15984016 0.0 0.0 0.0 0.0 0.0 3.0 7.0 5 0.01498501 0.0 0.0 0.0 0.0 0.0 2.0 8.0 ENERGIES Total Energy = -1.21615314184079E+04 Mass Energy = -1.21596904657115E+04 Kinetic Energy = 2.54960748968094E+04 Potential Energy = -2.54979158495059E+04 NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 2.4700000E+08 1.0000000E+00 1.0000000E+00 2 1.3984373E+08 1.0000000E+00 1.0000000E+00 3 7.9175181E+07 1.0000000E+00 1.0000000E+00 4 4.4826530E+07 1.0000000E+00 1.0000000E+00 5 2.5379390E+07 1.0000000E+00 1.0000000E+00 6 1.4369023E+07 1.0000000E+00 1.0000000E+00 7 8.1352946E+06 1.0000000E+00 1.0000000E+00 8 4.6059513E+06 1.0000000E+00 1.0000000E+00 9 2.6077466E+06 1.0000000E+00 1.0000000E+00 10 1.4764252E+06 1.0000000E+00 1.0000000E+00 11 8.3590612E+05 1.0000000E+00 1.0000000E+00 12 4.7326410E+05 1.0000000E+00 1.0000000E+00 13 2.6794744E+05 1.0000000E+00 1.0000000E+00 14 1.5170352E+05 1.0000000E+00 1.0000000E+00 15 8.5889827E+04 1.0000000E+00 1.0000000E+00 16 4.8628154E+04 1.0000000E+00 1.0000000E+00 17 2.7531751E+04 1.0000000E+00 1.0000000E+00 18 1.5587623E+04 1.0000000E+00 1.0000000E+00 19 8.8252283E+03 1.0000000E+00 1.0000000E+00 20 4.9965703E+03 1.0000000E+00 1.0000000E+00 21 2.8289030E+03 1.0000000E+00 1.0000000E+00 22 1.6016371E+03 1.0000000E+00 1.0000000E+00 23 9.0679719E+02 1.0000000E+00 1.0000000E+00 24 5.1340042E+02 1.0000000E+00 1.0000000E+00 25 2.9067138E+02 1.0000000E+00 1.0000000E+00 26 1.6456911E+02 1.0000000E+00 1.0000000E+00 27 9.3173924E+01 1.0000000E+00 1.0000000E+00 28 5.2752184E+01 1.0000000E+00 1.0000000E+00 29 2.9866649E+01 1.0000000E+00 1.0000000E+00 30 1.6909570E+01 1.0000000E+00 1.0000000E+00 31 9.5736734E+00 1.0000000E+00 1.0000000E+00 32 5.4203167E+00 1.0000000E+00 1.0000000E+00 33 3.0688151E+00 1.0000000E+00 1.0000000E+00 34 1.7374678E+00 1.0000000E+00 1.0000000E+00 35 9.8370036E-01 1.0000000E+00 1.0000000E+00 36 5.5694061E-01 1.0000000E+00 1.0000000E+00 37 3.1532248E-01 1.0000000E+00 1.0000000E+00 38 1.7852580E-01 1.0000000E+00 1.0000000E+00 39 1.0107577E-01 1.0000000E+00 1.0000000E+00 40 5.7225962E-02 1.0000000E+00 1.0000000E+00 41 3.2399564E-02 1.0000000E+00 1.0000000E+00 42 1.8343627E-02 1.0000000E+00 1.0000000E+00 43 1.0385592E-02 1.0000000E+00 1.0000000E+00 44 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.3985048E+08 1.0000000E+00 1.0000000E+00 3 7.8389406E+07 1.0000000E+00 1.0000000E+00 4 4.3939063E+07 1.0000000E+00 1.0000000E+00 5 2.4628854E+07 1.0000000E+00 1.0000000E+00 6 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46 2.4644708E-03 47 3.5942771E-03 48 4.5803389E-03 49 4.9607919E-03 50 4.6913896E-03 51 3.9672556E-03 52 3.0240969E-03 53 2.1003520E-03 54 1.3515008E-03 55 8.1151776E-04 56 4.4821208E-04 57 2.2040104E-04 58 9.2902761E-05 59 3.1879236E-05 60 8.1312230E-06 61 1.3100423E-06 62 1.0787970E-07 63 3.0984419E-09 64 1.2553451E-10 RADIAL MOMENTS Sym Orb S+ 1 1.27894E+04 7.45535E+01 2.11143E-02 6.09284E-04 2.23228E-05 9.92472E-07 2 1.64184E+03 1.78777E+01 8.91438E-02 9.44733E-03 1.14094E-03 1.55181E-04 3 3.58470E+02 6.54808E+00 2.33342E-01 6.23685E-02 1.83508E-02 5.89156E-03 4 8.43215E+01 2.70884E+00 5.30396E-01 3.17475E-01 2.07305E-01 1.46554E-01 5 1.29253E+01 9.93656E-01 1.32720E+00 1.98387E+00 3.26865E+00 5.90858E+00 6 8.50120E-01 2.79823E-01 4.42701E+00 2.23924E+01 1.27618E+02 8.14211E+02 P- 1 5.18998E+02 1.78107E+01 7.44618E-02 6.86272E-03 7.53724E-04 9.62495E-05 2 1.14432E+02 6.45051E+00 2.23412E-01 5.80808E-02 1.67990E-02 5.35249E-03 3 2.63160E+01 2.59775E+00 5.41992E-01 3.34240E-01 2.26423E-01 1.67289E-01 4 3.52735E+00 8.74980E-01 1.49445E+00 2.54250E+00 4.83326E+00 1.02345E+01 P+ 1 3.32242E+02 1.56098E+01 8.14764E-02 8.08331E-03 9.47821E-04 1.28533E-04 2 7.44280E+01 5.89468E+00 2.36537E-01 6.49105E-02 1.97928E-02 6.64077E-03 3 1.73426E+01 2.41774E+00 5.70804E-01 3.70565E-01 2.64346E-01 2.05767E-01 4 2.28518E+00 8.09477E-01 1.59853E+00 2.91298E+00 5.94674E+00 1.35651E+01 D- 1 4.15215E+01 5.75928E+00 2.09447E-01 5.16009E-02 1.46801E-02 4.75536E-03 2 8.70831E+00 2.18938E+00 6.05848E-01 4.26256E-01 3.37326E-01 2.98505E-01 D+ 1 3.91440E+01 5.62192E+00 2.13542E-01 5.35050E-02 1.54587E-02 5.08102E-03 2 8.19032E+00 2.14213E+00 6.16702E-01 4.41523E-01 3.55629E-01 3.20404E-01 F- 1 3.34715E+00 1.59379E+00 8.27611E-01 9.04892E-01 1.30061E+00 2.41945E+00 F+ 1 3.25372E+00 1.57019E+00 8.43096E-01 9.44053E-01 1.39808E+00 2.69472E+00 ***************************************************************************************** ***************************************************************************************** Ho [Xe]6s(2)4f(11) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 67.0 Atomic Mass = 165.0 Nuclear Radius = 1.257700E-04 Speed of Light = 137.0359955 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 = -1.26213936074037E+04 Mass Energy = -1.26193594194674E+04 Kinetic Energy = 2.65020512041665E+04 Potential Energy = -2.65040853921029E+04 NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 2.4700000E+08 1.0000000E+00 1.0000000E+00 2 1.3984373E+08 1.0000000E+00 1.0000000E+00 3 7.9175181E+07 1.0000000E+00 1.0000000E+00 4 4.4826530E+07 1.0000000E+00 1.0000000E+00 5 2.5379390E+07 1.0000000E+00 1.0000000E+00 6 1.4369023E+07 1.0000000E+00 1.0000000E+00 7 8.1352946E+06 1.0000000E+00 1.0000000E+00 8 4.6059513E+06 1.0000000E+00 1.0000000E+00 9 2.6077466E+06 1.0000000E+00 1.0000000E+00 10 1.4764252E+06 1.0000000E+00 1.0000000E+00 11 8.3590612E+05 1.0000000E+00 1.0000000E+00 12 4.7326410E+05 1.0000000E+00 1.0000000E+00 13 2.6794744E+05 1.0000000E+00 1.0000000E+00 14 1.5170352E+05 1.0000000E+00 1.0000000E+00 15 8.5889827E+04 1.0000000E+00 1.0000000E+00 16 4.8628154E+04 1.0000000E+00 1.0000000E+00 17 2.7531751E+04 1.0000000E+00 1.0000000E+00 18 1.5587623E+04 1.0000000E+00 1.0000000E+00 19 8.8252283E+03 1.0000000E+00 1.0000000E+00 20 4.9965703E+03 1.0000000E+00 1.0000000E+00 21 2.8289030E+03 1.0000000E+00 1.0000000E+00 22 1.6016371E+03 1.0000000E+00 1.0000000E+00 23 9.0679719E+02 1.0000000E+00 1.0000000E+00 24 5.1340042E+02 1.0000000E+00 1.0000000E+00 25 2.9067138E+02 1.0000000E+00 1.0000000E+00 26 1.6456911E+02 1.0000000E+00 1.0000000E+00 27 9.3173924E+01 1.0000000E+00 1.0000000E+00 28 5.2752184E+01 1.0000000E+00 1.0000000E+00 29 2.9866649E+01 1.0000000E+00 1.0000000E+00 30 1.6909570E+01 1.0000000E+00 1.0000000E+00 31 9.5736734E+00 1.0000000E+00 1.0000000E+00 32 5.4203167E+00 1.0000000E+00 1.0000000E+00 33 3.0688151E+00 1.0000000E+00 1.0000000E+00 34 1.7374678E+00 1.0000000E+00 1.0000000E+00 35 9.8370036E-01 1.0000000E+00 1.0000000E+00 36 5.5694061E-01 1.0000000E+00 1.0000000E+00 37 3.1532248E-01 1.0000000E+00 1.0000000E+00 38 1.7852580E-01 1.0000000E+00 1.0000000E+00 39 1.0107577E-01 1.0000000E+00 1.0000000E+00 40 5.7225962E-02 1.0000000E+00 1.0000000E+00 41 3.2399564E-02 1.0000000E+00 1.0000000E+00 42 1.8343627E-02 1.0000000E+00 1.0000000E+00 43 1.0385592E-02 1.0000000E+00 1.0000000E+00 44 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.3985048E+08 1.0000000E+00 1.0000000E+00 3 7.8389406E+07 1.0000000E+00 1.0000000E+00 4 4.3939063E+07 1.0000000E+00 1.0000000E+00 5 2.4628854E+07 1.0000000E+00 1.0000000E+00 6 1.3805038E+07 1.0000000E+00 1.0000000E+00 7 7.7380410E+06 1.0000000E+00 1.0000000E+00 8 4.3373497E+06 1.0000000E+00 1.0000000E+00 9 2.4311841E+06 1.0000000E+00 1.0000000E+00 10 1.3627345E+06 1.0000000E+00 1.0000000E+00 11 7.6384401E+05 1.0000000E+00 1.0000000E+00 12 4.2815211E+05 1.0000000E+00 1.0000000E+00 13 2.3998909E+05 1.0000000E+00 1.0000000E+00 14 1.3451940E+05 1.0000000E+00 1.0000000E+00 15 7.5401213E+04 1.0000000E+00 1.0000000E+00 16 4.2264112E+04 1.0000000E+00 1.0000000E+00 17 2.3690005E+04 1.0000000E+00 1.0000000E+00 18 1.3278792E+04 1.0000000E+00 1.0000000E+00 19 7.4430679E+03 1.0000000E+00 1.0000000E+00 20 4.1720105E+03 1.0000000E+00 1.0000000E+00 21 2.3385077E+03 1.0000000E+00 1.0000000E+00 22 1.3107873E+03 1.0000000E+00 1.0000000E+00 23 7.3472638E+02 1.0000000E+00 1.0000000E+00 24 4.1183101E+02 1.0000000E+00 1.0000000E+00 25 2.3084074E+02 1.0000000E+00 1.0000000E+00 26 1.2939154E+02 1.0000000E+00 1.0000000E+00 27 7.2526928E+01 1.0000000E+00 1.0000000E+00 28 4.0653009E+01 1.0000000E+00 1.0000000E+00 29 2.2786945E+01 1.0000000E+00 1.0000000E+00 30 1.2772606E+01 1.0000000E+00 1.0000000E+00 31 7.1593392E+00 1.0000000E+00 1.0000000E+00 32 4.0129740E+00 1.0000000E+00 1.0000000E+00 33 2.2493641E+00 1.0000000E+00 1.0000000E+00 34 1.2608203E+00 1.0000000E+00 1.0000000E+00 35 7.0671871E-01 1.0000000E+00 1.0000000E+00 36 3.9613207E-01 1.0000000E+00 1.0000000E+00 37 2.2204112E-01 1.0000000E+00 1.0000000E+00 38 1.2445915E-01 1.0000000E+00 1.0000000E+00 39 6.9762212E-02 1.0000000E+00 1.0000000E+00 40 3.9103322E-02 1.0000000E+00 1.0000000E+00 41 2.1918310E-02 1.0000000E+00 1.0000000E+00 42 1.2285716E-02 1.0000000E+00 1.0000000E+00 43 6.8864261E-03 1.0000000E+00 1.0000000E+00 44 3.8600000E-03 1.0000000E+00 1.0000000E+00 P+ 1 2.0100000E+07 1.0000000E+00 1.0000000E+00 2 1.1922144E+07 1.0000000E+00 1.0000000E+00 3 7.0715183E+06 1.0000000E+00 1.0000000E+00 4 4.1944110E+06 1.0000000E+00 1.0000000E+00 5 2.4878792E+06 1.0000000E+00 1.0000000E+00 6 1.4756644E+06 1.0000000E+00 1.0000000E+00 7 8.7527777E+05 1.0000000E+00 1.0000000E+00 8 5.1916357E+05 1.0000000E+00 1.0000000E+00 9 3.0793745E+05 1.0000000E+00 1.0000000E+00 10 1.8265048E+05 1.0000000E+00 1.0000000E+00 11 1.0833758E+05 1.0000000E+00 1.0000000E+00 12 6.4259514E+04 1.0000000E+00 1.0000000E+00 13 3.8114984E+04 1.0000000E+00 1.0000000E+00 14 2.2607579E+04 1.0000000E+00 1.0000000E+00 15 1.3409493E+04 1.0000000E+00 1.0000000E+00 16 7.9537267E+03 1.0000000E+00 1.0000000E+00 17 4.7176853E+03 1.0000000E+00 1.0000000E+00 18 2.7982549E+03 1.0000000E+00 1.0000000E+00 19 1.6597611E+03 1.0000000E+00 1.0000000E+00 20 9.8447319E+02 1.0000000E+00 1.0000000E+00 21 5.8393190E+02 1.0000000E+00 1.0000000E+00 22 3.4635424E+02 1.0000000E+00 1.0000000E+00 23 2.0543707E+02 1.0000000E+00 1.0000000E+00 24 1.2185325E+02 1.0000000E+00 1.0000000E+00 25 7.2276219E+01 1.0000000E+00 1.0000000E+00 26 4.2870025E+01 1.0000000E+00 1.0000000E+00 27 2.5427991E+01 1.0000000E+00 1.0000000E+00 28 1.5082396E+01 1.0000000E+00 1.0000000E+00 29 8.9459951E+00 1.0000000E+00 1.0000000E+00 30 5.3062409E+00 1.0000000E+00 1.0000000E+00 31 3.1473517E+00 1.0000000E+00 1.0000000E+00 32 1.8668249E+00 1.0000000E+00 1.0000000E+00 33 1.1072913E+00 1.0000000E+00 1.0000000E+00 34 6.5678041E-01 1.0000000E+00 1.0000000E+00 35 3.8956371E-01 1.0000000E+00 1.0000000E+00 36 2.3106640E-01 1.0000000E+00 1.0000000E+00 37 1.3705507E-01 1.0000000E+00 1.0000000E+00 38 8.1293050E-02 1.0000000E+00 1.0000000E+00 39 4.8218281E-02 1.0000000E+00 1.0000000E+00 40 2.8600263E-02 1.0000000E+00 1.0000000E+00 41 1.6964003E-02 1.0000000E+00 1.0000000E+00 42 1.0062054E-02 1.0000000E+00 1.0000000E+00 43 5.9682218E-03 1.0000000E+00 1.0000000E+00 44 3.5400000E-03 1.0000000E+00 1.0000000E+00 D- 1 8.2000000E+05 1.0000000E+00 1.0000000E+00 2 4.7626832E+05 1.0000000E+00 1.0000000E+00 3 2.7662380E+05 1.0000000E+00 1.0000000E+00 4 1.6066726E+05 1.0000000E+00 1.0000000E+00 5 9.3317959E+04 1.0000000E+00 1.0000000E+00 6 5.4200473E+04 1.0000000E+00 1.0000000E+00 7 3.1480449E+04 1.0000000E+00 1.0000000E+00 8 1.8284318E+04 1.0000000E+00 1.0000000E+00 9 1.0619807E+04 1.0000000E+00 1.0000000E+00 10 6.1681434E+03 1.0000000E+00 1.0000000E+00 11 3.5825504E+03 1.0000000E+00 1.0000000E+00 12 2.0807991E+03 1.0000000E+00 1.0000000E+00 13 1.2085594E+03 1.0000000E+00 1.0000000E+00 14 7.0194945E+02 1.0000000E+00 1.0000000E+00 15 4.0770279E+02 1.0000000E+00 1.0000000E+00 16 2.3679991E+02 1.0000000E+00 1.0000000E+00 17 1.3753695E+02 1.0000000E+00 1.0000000E+00 18 7.9883525E+01 1.0000000E+00 1.0000000E+00 19 4.6397552E+01 1.0000000E+00 1.0000000E+00 20 2.6948395E+01 1.0000000E+00 1.0000000E+00 21 1.5652033E+01 1.0000000E+00 1.0000000E+00 22 9.0909360E+00 1.0000000E+00 1.0000000E+00 23 5.2801523E+00 1.0000000E+00 1.0000000E+00 24 3.0667918E+00 1.0000000E+00 1.0000000E+00 25 1.7812388E+00 1.0000000E+00 1.0000000E+00 26 1.0345702E+00 1.0000000E+00 1.0000000E+00 27 6.0089395E-01 1.0000000E+00 1.0000000E+00 28 3.4900823E-01 1.0000000E+00 1.0000000E+00 29 2.0270923E-01 1.0000000E+00 1.0000000E+00 30 1.1773657E-01 1.0000000E+00 1.0000000E+00 31 6.8383167E-02 1.0000000E+00 1.0000000E+00 32 3.9717971E-02 1.0000000E+00 1.0000000E+00 33 2.3068794E-02 1.0000000E+00 1.0000000E+00 34 1.3398703E-02 1.0000000E+00 1.0000000E+00 35 7.7821678E-03 1.0000000E+00 1.0000000E+00 36 4.5200000E-03 1.0000000E+00 1.0000000E+00 D+ 1 1.6500000E+05 1.0000000E+00 1.0000000E+00 2 9.9977070E+04 1.0000000E+00 1.0000000E+00 3 6.0578269E+04 1.0000000E+00 1.0000000E+00 4 3.6705684E+04 1.0000000E+00 1.0000000E+00 5 2.2240768E+04 1.0000000E+00 1.0000000E+00 6 1.3476162E+04 1.0000000E+00 1.0000000E+00 7 8.1654983E+03 1.0000000E+00 1.0000000E+00 8 4.9476521E+03 1.0000000E+00 1.0000000E+00 9 2.9978894E+03 1.0000000E+00 1.0000000E+00 10 1.8164861E+03 1.0000000E+00 1.0000000E+00 11 1.1006482E+03 1.0000000E+00 1.0000000E+00 12 6.6690656E+02 1.0000000E+00 1.0000000E+00 13 4.0409311E+02 1.0000000E+00 1.0000000E+00 14 2.4484876E+02 1.0000000E+00 1.0000000E+00 15 1.4835916E+02 1.0000000E+00 1.0000000E+00 16 8.9894024E+01 1.0000000E+00 1.0000000E+00 17 5.4468734E+01 1.0000000E+00 1.0000000E+00 18 3.3003784E+01 1.0000000E+00 1.0000000E+00 19 1.9997707E+01 1.0000000E+00 1.0000000E+00 20 1.2117043E+01 1.0000000E+00 1.0000000E+00 21 7.3419786E+00 1.0000000E+00 1.0000000E+00 22 4.4486637E+00 1.0000000E+00 1.0000000E+00 23 2.6955416E+00 1.0000000E+00 1.0000000E+00 24 1.6332869E+00 1.0000000E+00 1.0000000E+00 25 9.8964389E-01 1.0000000E+00 1.0000000E+00 26 5.9964664E-01 1.0000000E+00 1.0000000E+00 27 3.6333887E-01 1.0000000E+00 1.0000000E+00 28 2.2015488E-01 1.0000000E+00 1.0000000E+00 29 1.3339661E-01 1.0000000E+00 1.0000000E+00 30 8.0827890E-02 1.0000000E+00 1.0000000E+00 31 4.8975367E-02 1.0000000E+00 1.0000000E+00 32 2.9675234E-02 1.0000000E+00 1.0000000E+00 33 1.7980866E-02 1.0000000E+00 1.0000000E+00 34 1.0894996E-02 1.0000000E+00 1.0000000E+00 35 6.6015138E-03 1.0000000E+00 1.0000000E+00 36 4.0000000E-03 1.0000000E+00 1.0000000E+00 F- 1 9.8000000E+03 1.0000000E+00 1.0000000E+00 2 6.3777470E+03 1.0000000E+00 1.0000000E+00 3 4.1505772E+03 1.0000000E+00 1.0000000E+00 4 2.7011562E+03 1.0000000E+00 1.0000000E+00 5 1.7578868E+03 1.0000000E+00 1.0000000E+00 6 1.1440160E+03 1.0000000E+00 1.0000000E+00 7 7.4451478E+02 1.0000000E+00 1.0000000E+00 8 4.8452315E+02 1.0000000E+00 1.0000000E+00 9 3.1532307E+02 1.0000000E+00 1.0000000E+00 10 2.0520926E+02 1.0000000E+00 1.0000000E+00 11 1.3354824E+02 1.0000000E+00 1.0000000E+00 12 8.6911924E+01 1.0000000E+00 1.0000000E+00 13 5.6561455E+01 1.0000000E+00 1.0000000E+00 14 3.6809658E+01 1.0000000E+00 1.0000000E+00 15 2.3955376E+01 1.0000000E+00 1.0000000E+00 16 1.5589931E+01 1.0000000E+00 1.0000000E+00 17 1.0145779E+01 1.0000000E+00 1.0000000E+00 18 6.6027768E+00 1.0000000E+00 1.0000000E+00 19 4.2970244E+00 1.0000000E+00 1.0000000E+00 20 2.7964627E+00 1.0000000E+00 1.0000000E+00 21 1.8199114E+00 1.0000000E+00 1.0000000E+00 22 1.1843810E+00 1.0000000E+00 1.0000000E+00 23 7.7078394E-01 1.0000000E+00 1.0000000E+00 24 5.0161887E-01 1.0000000E+00 1.0000000E+00 25 3.2644880E-01 1.0000000E+00 1.0000000E+00 26 2.1244978E-01 1.0000000E+00 1.0000000E+00 27 1.3826030E-01 1.0000000E+00 1.0000000E+00 28 8.9978489E-02 1.0000000E+00 1.0000000E+00 29 5.8557147E-02 1.0000000E+00 1.0000000E+00 30 3.8108435E-02 1.0000000E+00 1.0000000E+00 31 2.4800608E-02 1.0000000E+00 1.0000000E+00 32 1.6140000E-02 1.0000000E+00 1.0000000E+00 F+ 1 7.7500000E+03 1.0000000E+00 1.0000000E+00 2 5.0688668E+03 1.0000000E+00 1.0000000E+00 3 3.3152788E+03 1.0000000E+00 1.0000000E+00 4 2.1683493E+03 1.0000000E+00 1.0000000E+00 5 1.4182031E+03 1.0000000E+00 1.0000000E+00 6 9.2757194E+02 1.0000000E+00 1.0000000E+00 7 6.0667595E+02 1.0000000E+00 1.0000000E+00 8 3.9679479E+02 1.0000000E+00 1.0000000E+00 9 2.5952257E+02 1.0000000E+00 1.0000000E+00 10 1.6974005E+02 1.0000000E+00 1.0000000E+00 11 1.1101803E+02 1.0000000E+00 1.0000000E+00 12 7.2611043E+01 1.0000000E+00 1.0000000E+00 13 4.7491059E+01 1.0000000E+00 1.0000000E+00 14 3.1061401E+01 1.0000000E+00 1.0000000E+00 15 2.0315626E+01 1.0000000E+00 1.0000000E+00 16 1.3287381E+01 1.0000000E+00 1.0000000E+00 17 8.6905763E+00 1.0000000E+00 1.0000000E+00 18 5.6840482E+00 1.0000000E+00 1.0000000E+00 19 3.7176366E+00 1.0000000E+00 1.0000000E+00 20 2.4315103E+00 1.0000000E+00 1.0000000E+00 21 1.5903228E+00 1.0000000E+00 1.0000000E+00 22 1.0401464E+00 1.0000000E+00 1.0000000E+00 23 6.8030498E-01 1.0000000E+00 1.0000000E+00 24 4.4495166E-01 1.0000000E+00 1.0000000E+00 25 2.9101945E-01 1.0000000E+00 1.0000000E+00 26 1.9034049E-01 1.0000000E+00 1.0000000E+00 27 1.2449169E-01 1.0000000E+00 1.0000000E+00 28 8.1423459E-02 1.0000000E+00 1.0000000E+00 29 5.3254797E-02 1.0000000E+00 1.0000000E+00 30 3.4831158E-02 1.0000000E+00 1.0000000E+00 31 2.2781226E-02 1.0000000E+00 1.0000000E+00 32 1.4900000E-02 1.0000000E+00 1.0000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -2.0561740E+03 -3.4844884E+02 -7.9783493E+01 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7.5291058E-07 2 -8.3287107E-07 3 3.0744084E-06 4 4.5352575E-07 5 1.0538668E-05 6 1.8531274E-05 7 6.3309747E-05 8 1.6611586E-04 9 4.6851936E-04 10 1.2376154E-03 11 3.2378146E-03 12 8.0025264E-03 13 1.7824872E-02 14 3.5490979E-02 15 6.5739388E-02 16 1.0817048E-01 17 1.5045189E-01 18 1.8005654E-01 19 1.9117225E-01 20 1.8239237E-01 21 1.5776840E-01 22 1.2558703E-01 23 9.2797525E-02 24 6.2944430E-02 25 3.7941381E-02 26 1.9516694E-02 27 8.1198216E-03 28 2.4947502E-03 29 4.8139160E-04 30 4.7794109E-05 31 1.6644071E-06 32 1.2459801E-07 *** Small-Component *** 33 2.1384545E-07 34 -7.4347659E-08 35 7.3630383E-07 36 7.3733056E-07 37 2.8821300E-06 38 6.0635049E-06 39 1.5653844E-05 40 3.6495282E-05 41 8.4632667E-05 42 1.8579881E-04 43 3.9744986E-04 44 8.0148233E-04 45 1.4500325E-03 46 2.3399026E-03 47 3.5055256E-03 48 4.6614377E-03 49 5.2360349E-03 50 5.0586533E-03 51 4.3344797E-03 52 3.3369294E-03 53 2.3288333E-03 54 1.4956531E-03 55 8.9158001E-04 56 4.8789520E-04 57 2.3724182E-04 58 9.8450603E-05 59 3.3037115E-05 60 8.1877216E-06 61 1.2729131E-06 62 1.0058964E-07 63 3.0958836E-09 64 -5.4218363E-10 4F+ -4.6932620E-01 ------------ *** Large-Component *** 1 3.1915039E-07 2 -1.4162726E-07 3 1.6744055E-06 4 2.1072576E-06 5 9.9250262E-06 6 2.6123843E-05 7 8.1590091E-05 8 2.3283207E-04 9 6.4962119E-04 10 1.7344331E-03 11 4.4733637E-03 12 1.0683168E-02 13 2.2675406E-02 14 4.3844301E-02 15 7.8094369E-02 16 1.2062390E-01 17 1.5844581E-01 18 1.8220909E-01 19 1.8756162E-01 20 1.7426834E-01 21 1.4791745E-01 22 1.1660766E-01 23 8.5879096E-02 24 5.8162303E-02 25 3.5049429E-02 26 1.8086610E-02 27 7.5804427E-03 28 2.3492772E-03 29 4.5649132E-04 30 4.4822162E-05 31 1.5557862E-06 32 7.1509578E-08 *** Small-Component *** 33 2.3806478E-07 34 -6.0363596E-08 35 8.7277825E-07 36 1.0344713E-06 37 3.7194828E-06 38 8.2757399E-06 39 2.1014792E-05 40 4.9245336E-05 41 1.1197217E-04 42 2.4353133E-04 43 5.1056599E-04 44 9.8979610E-04 45 1.7028997E-03 46 2.6671820E-03 47 3.8466509E-03 48 4.8085988E-03 49 5.1102009E-03 50 4.7536848E-03 51 3.9579231E-03 52 2.9742660E-03 53 2.0417415E-03 54 1.3017344E-03 55 7.7533854E-04 56 4.2467347E-04 57 2.0696597E-04 58 8.6374345E-05 59 2.9276539E-05 60 7.3381058E-06 61 1.1529626E-06 62 9.1650884E-08 63 2.5347948E-09 64 1.0415283E-10 RADIAL MOMENTS Sym Orb S+ 1 1.33694E+04 7.60371E+01 2.07359E-02 5.88081E-04 2.11844E-05 9.26291E-07 2 1.72847E+03 1.82688E+01 8.74606E-02 9.09755E-03 1.07848E-03 1.43990E-04 3 3.79021E+02 6.69711E+00 2.28704E-01 5.99232E-02 1.72828E-02 5.43860E-03 4 8.94729E+01 2.77199E+00 5.19356E-01 3.04448E-01 1.94703E-01 1.34816E-01 5 1.36306E+01 1.01304E+00 1.30277E+00 1.91222E+00 3.09520E+00 5.49947E+00 6 8.80745E-01 2.83156E-01 4.37632E+00 2.18978E+01 1.23546E+02 7.80821E+02 P- 1 5.45949E+02 1.82004E+01 7.29869E-02 6.59747E-03 7.10845E-04 8.90678E-05 2 1.20994E+02 6.59945E+00 2.18791E-01 5.57150E-02 1.57841E-02 4.92554E-03 3 2.79318E+01 2.66030E+00 5.30190E-01 3.19911E-01 2.12056E-01 1.53312E-01 4 3.70964E+00 8.91815E-01 1.46715E+00 2.45177E+00 4.58112E+00 9.54117E+00 P+ 1 3.43736E+02 1.58763E+01 8.01112E-02 7.81450E-03 9.00875E-04 1.20100E-04 2 7.74132E+01 6.01104E+00 2.32086E-01 6.24965E-02 1.86982E-02 6.15469E-03 3 1.81017E+01 2.46892E+00 5.59438E-01 3.56023E-01 2.48985E-01 1.90021E-01 4 2.35893E+00 8.22171E-01 1.57410E+00 2.82643E+00 5.69013E+00 1.28108E+01 D- 1 4.32365E+01 5.87699E+00 2.05221E-01 4.95313E-02 1.38028E-02 4.37920E-03 2 9.11947E+00 2.24021E+00 5.92420E-01 4.07674E-01 3.15595E-01 2.73240E-01 D+ 1 4.06808E+01 5.73228E+00 2.09364E-01 5.14184E-02 1.45586E-02 4.68888E-03 2 8.55759E+00 2.19008E+00 6.03427E-01 4.22824E-01 3.33378E-01 2.94076E-01 F- 1 3.54224E+00 1.64011E+00 8.04252E-01 8.55335E-01 1.19800E+00 2.17676E+00 F+ 1 3.43758E+00 1.61430E+00 8.20436E-01 8.95416E-01 1.29588E+00 2.44852E+00 ***************************************************************************************** ***************************************************************************************** Er [Xe]6s(2)4f(12) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 68.0 Atomic Mass = 166.0 Nuclear Radius = 1.259955E-04 Speed of Light = 137.0359955 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 0.30769231 0.0 0.0 0.0 0.0 0.0 6.0 6.0 2 0.52747253 0.0 0.0 0.0 0.0 0.0 5.0 7.0 3 0.16483516 0.0 0.0 0.0 0.0 0.0 4.0 8.0 ENERGIES Total Energy = -1.30922684781292E+04 Mass Energy = -1.30900208743418E+04 Kinetic Energy = 2.75353332002939E+04 Potential Energy = -2.75375808040814E+04 NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 2.4700000E+08 1.0000000E+00 1.0000000E+00 2 1.3984373E+08 1.0000000E+00 1.0000000E+00 3 7.9175181E+07 1.0000000E+00 1.0000000E+00 4 4.4826530E+07 1.0000000E+00 1.0000000E+00 5 2.5379390E+07 1.0000000E+00 1.0000000E+00 6 1.4369023E+07 1.0000000E+00 1.0000000E+00 7 8.1352946E+06 1.0000000E+00 1.0000000E+00 8 4.6059513E+06 1.0000000E+00 1.0000000E+00 9 2.6077466E+06 1.0000000E+00 1.0000000E+00 10 1.4764252E+06 1.0000000E+00 1.0000000E+00 11 8.3590612E+05 1.0000000E+00 1.0000000E+00 12 4.7326410E+05 1.0000000E+00 1.0000000E+00 13 2.6794744E+05 1.0000000E+00 1.0000000E+00 14 1.5170352E+05 1.0000000E+00 1.0000000E+00 15 8.5889827E+04 1.0000000E+00 1.0000000E+00 16 4.8628154E+04 1.0000000E+00 1.0000000E+00 17 2.7531751E+04 1.0000000E+00 1.0000000E+00 18 1.5587623E+04 1.0000000E+00 1.0000000E+00 19 8.8252283E+03 1.0000000E+00 1.0000000E+00 20 4.9965703E+03 1.0000000E+00 1.0000000E+00 21 2.8289030E+03 1.0000000E+00 1.0000000E+00 22 1.6016371E+03 1.0000000E+00 1.0000000E+00 23 9.0679719E+02 1.0000000E+00 1.0000000E+00 24 5.1340042E+02 1.0000000E+00 1.0000000E+00 25 2.9067138E+02 1.0000000E+00 1.0000000E+00 26 1.6456911E+02 1.0000000E+00 1.0000000E+00 27 9.3173924E+01 1.0000000E+00 1.0000000E+00 28 5.2752184E+01 1.0000000E+00 1.0000000E+00 29 2.9866649E+01 1.0000000E+00 1.0000000E+00 30 1.6909570E+01 1.0000000E+00 1.0000000E+00 31 9.5736734E+00 1.0000000E+00 1.0000000E+00 32 5.4203167E+00 1.0000000E+00 1.0000000E+00 33 3.0688151E+00 1.0000000E+00 1.0000000E+00 34 1.7374678E+00 1.0000000E+00 1.0000000E+00 35 9.8370036E-01 1.0000000E+00 1.0000000E+00 36 5.5694061E-01 1.0000000E+00 1.0000000E+00 37 3.1532248E-01 1.0000000E+00 1.0000000E+00 38 1.7852580E-01 1.0000000E+00 1.0000000E+00 39 1.0107577E-01 1.0000000E+00 1.0000000E+00 40 5.7225962E-02 1.0000000E+00 1.0000000E+00 41 3.2399564E-02 1.0000000E+00 1.0000000E+00 42 1.8343627E-02 1.0000000E+00 1.0000000E+00 43 1.0385592E-02 1.0000000E+00 1.0000000E+00 44 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.3985048E+08 1.0000000E+00 1.0000000E+00 3 7.8389406E+07 1.0000000E+00 1.0000000E+00 4 4.3939063E+07 1.0000000E+00 1.0000000E+00 5 2.4628854E+07 1.0000000E+00 1.0000000E+00 6 1.3805038E+07 1.0000000E+00 1.0000000E+00 7 7.7380410E+06 1.0000000E+00 1.0000000E+00 8 4.3373497E+06 1.0000000E+00 1.0000000E+00 9 2.4311841E+06 1.0000000E+00 1.0000000E+00 10 1.3627345E+06 1.0000000E+00 1.0000000E+00 11 7.6384401E+05 1.0000000E+00 1.0000000E+00 12 4.2815211E+05 1.0000000E+00 1.0000000E+00 13 2.3998909E+05 1.0000000E+00 1.0000000E+00 14 1.3451940E+05 1.0000000E+00 1.0000000E+00 15 7.5401213E+04 1.0000000E+00 1.0000000E+00 16 4.2264112E+04 1.0000000E+00 1.0000000E+00 17 2.3690005E+04 1.0000000E+00 1.0000000E+00 18 1.3278792E+04 1.0000000E+00 1.0000000E+00 19 7.4430679E+03 1.0000000E+00 1.0000000E+00 20 4.1720105E+03 1.0000000E+00 1.0000000E+00 21 2.3385077E+03 1.0000000E+00 1.0000000E+00 22 1.3107873E+03 1.0000000E+00 1.0000000E+00 23 7.3472638E+02 1.0000000E+00 1.0000000E+00 24 4.1183101E+02 1.0000000E+00 1.0000000E+00 25 2.3084074E+02 1.0000000E+00 1.0000000E+00 26 1.2939154E+02 1.0000000E+00 1.0000000E+00 27 7.2526928E+01 1.0000000E+00 1.0000000E+00 28 4.0653009E+01 1.0000000E+00 1.0000000E+00 29 2.2786945E+01 1.0000000E+00 1.0000000E+00 30 1.2772606E+01 1.0000000E+00 1.0000000E+00 31 7.1593392E+00 1.0000000E+00 1.0000000E+00 32 4.0129740E+00 1.0000000E+00 1.0000000E+00 33 2.2493641E+00 1.0000000E+00 1.0000000E+00 34 1.2608203E+00 1.0000000E+00 1.0000000E+00 35 7.0671871E-01 1.0000000E+00 1.0000000E+00 36 3.9613207E-01 1.0000000E+00 1.0000000E+00 37 2.2204112E-01 1.0000000E+00 1.0000000E+00 38 1.2445915E-01 1.0000000E+00 1.0000000E+00 39 6.9762212E-02 1.0000000E+00 1.0000000E+00 40 3.9103322E-02 1.0000000E+00 1.0000000E+00 41 2.1918310E-02 1.0000000E+00 1.0000000E+00 42 1.2285716E-02 1.0000000E+00 1.0000000E+00 43 6.8864261E-03 1.0000000E+00 1.0000000E+00 44 3.8600000E-03 1.0000000E+00 1.0000000E+00 P+ 1 2.0100000E+07 1.0000000E+00 1.0000000E+00 2 1.1922144E+07 1.0000000E+00 1.0000000E+00 3 7.0715183E+06 1.0000000E+00 1.0000000E+00 4 4.1944110E+06 1.0000000E+00 1.0000000E+00 5 2.4878792E+06 1.0000000E+00 1.0000000E+00 6 1.4756644E+06 1.0000000E+00 1.0000000E+00 7 8.7527777E+05 1.0000000E+00 1.0000000E+00 8 5.1916357E+05 1.0000000E+00 1.0000000E+00 9 3.0793745E+05 1.0000000E+00 1.0000000E+00 10 1.8265048E+05 1.0000000E+00 1.0000000E+00 11 1.0833758E+05 1.0000000E+00 1.0000000E+00 12 6.4259514E+04 1.0000000E+00 1.0000000E+00 13 3.8114984E+04 1.0000000E+00 1.0000000E+00 14 2.2607579E+04 1.0000000E+00 1.0000000E+00 15 1.3409493E+04 1.0000000E+00 1.0000000E+00 16 7.9537267E+03 1.0000000E+00 1.0000000E+00 17 4.7176853E+03 1.0000000E+00 1.0000000E+00 18 2.7982549E+03 1.0000000E+00 1.0000000E+00 19 1.6597611E+03 1.0000000E+00 1.0000000E+00 20 9.8447319E+02 1.0000000E+00 1.0000000E+00 21 5.8393190E+02 1.0000000E+00 1.0000000E+00 22 3.4635424E+02 1.0000000E+00 1.0000000E+00 23 2.0543707E+02 1.0000000E+00 1.0000000E+00 24 1.2185325E+02 1.0000000E+00 1.0000000E+00 25 7.2276219E+01 1.0000000E+00 1.0000000E+00 26 4.2870025E+01 1.0000000E+00 1.0000000E+00 27 2.5427991E+01 1.0000000E+00 1.0000000E+00 28 1.5082396E+01 1.0000000E+00 1.0000000E+00 29 8.9459951E+00 1.0000000E+00 1.0000000E+00 30 5.3062409E+00 1.0000000E+00 1.0000000E+00 31 3.1473517E+00 1.0000000E+00 1.0000000E+00 32 1.8668249E+00 1.0000000E+00 1.0000000E+00 33 1.1072913E+00 1.0000000E+00 1.0000000E+00 34 6.5678041E-01 1.0000000E+00 1.0000000E+00 35 3.8956371E-01 1.0000000E+00 1.0000000E+00 36 2.3106640E-01 1.0000000E+00 1.0000000E+00 37 1.3705507E-01 1.0000000E+00 1.0000000E+00 38 8.1293050E-02 1.0000000E+00 1.0000000E+00 39 4.8218281E-02 1.0000000E+00 1.0000000E+00 40 2.8600263E-02 1.0000000E+00 1.0000000E+00 41 1.6964003E-02 1.0000000E+00 1.0000000E+00 42 1.0062054E-02 1.0000000E+00 1.0000000E+00 43 5.9682218E-03 1.0000000E+00 1.0000000E+00 44 3.5400000E-03 1.0000000E+00 1.0000000E+00 D- 1 8.2000000E+05 1.0000000E+00 1.0000000E+00 2 4.7626832E+05 1.0000000E+00 1.0000000E+00 3 2.7662380E+05 1.0000000E+00 1.0000000E+00 4 1.6066726E+05 1.0000000E+00 1.0000000E+00 5 9.3317959E+04 1.0000000E+00 1.0000000E+00 6 5.4200473E+04 1.0000000E+00 1.0000000E+00 7 3.1480449E+04 1.0000000E+00 1.0000000E+00 8 1.8284318E+04 1.0000000E+00 1.0000000E+00 9 1.0619807E+04 1.0000000E+00 1.0000000E+00 10 6.1681434E+03 1.0000000E+00 1.0000000E+00 11 3.5825504E+03 1.0000000E+00 1.0000000E+00 12 2.0807991E+03 1.0000000E+00 1.0000000E+00 13 1.2085594E+03 1.0000000E+00 1.0000000E+00 14 7.0194945E+02 1.0000000E+00 1.0000000E+00 15 4.0770279E+02 1.0000000E+00 1.0000000E+00 16 2.3679991E+02 1.0000000E+00 1.0000000E+00 17 1.3753695E+02 1.0000000E+00 1.0000000E+00 18 7.9883525E+01 1.0000000E+00 1.0000000E+00 19 4.6397552E+01 1.0000000E+00 1.0000000E+00 20 2.6948395E+01 1.0000000E+00 1.0000000E+00 21 1.5652033E+01 1.0000000E+00 1.0000000E+00 22 9.0909360E+00 1.0000000E+00 1.0000000E+00 23 5.2801523E+00 1.0000000E+00 1.0000000E+00 24 3.0667918E+00 1.0000000E+00 1.0000000E+00 25 1.7812388E+00 1.0000000E+00 1.0000000E+00 26 1.0345702E+00 1.0000000E+00 1.0000000E+00 27 6.0089395E-01 1.0000000E+00 1.0000000E+00 28 3.4900823E-01 1.0000000E+00 1.0000000E+00 29 2.0270923E-01 1.0000000E+00 1.0000000E+00 30 1.1773657E-01 1.0000000E+00 1.0000000E+00 31 6.8383167E-02 1.0000000E+00 1.0000000E+00 32 3.9717971E-02 1.0000000E+00 1.0000000E+00 33 2.3068794E-02 1.0000000E+00 1.0000000E+00 34 1.3398703E-02 1.0000000E+00 1.0000000E+00 35 7.7821678E-03 1.0000000E+00 1.0000000E+00 36 4.5200000E-03 1.0000000E+00 1.0000000E+00 D+ 1 1.6500000E+05 1.0000000E+00 1.0000000E+00 2 9.9977070E+04 1.0000000E+00 1.0000000E+00 3 6.0578269E+04 1.0000000E+00 1.0000000E+00 4 3.6705684E+04 1.0000000E+00 1.0000000E+00 5 2.2240768E+04 1.0000000E+00 1.0000000E+00 6 1.3476162E+04 1.0000000E+00 1.0000000E+00 7 8.1654983E+03 1.0000000E+00 1.0000000E+00 8 4.9476521E+03 1.0000000E+00 1.0000000E+00 9 2.9978894E+03 1.0000000E+00 1.0000000E+00 10 1.8164861E+03 1.0000000E+00 1.0000000E+00 11 1.1006482E+03 1.0000000E+00 1.0000000E+00 12 6.6690656E+02 1.0000000E+00 1.0000000E+00 13 4.0409311E+02 1.0000000E+00 1.0000000E+00 14 2.4484876E+02 1.0000000E+00 1.0000000E+00 15 1.4835916E+02 1.0000000E+00 1.0000000E+00 16 8.9894024E+01 1.0000000E+00 1.0000000E+00 17 5.4468734E+01 1.0000000E+00 1.0000000E+00 18 3.3003784E+01 1.0000000E+00 1.0000000E+00 19 1.9997707E+01 1.0000000E+00 1.0000000E+00 20 1.2117043E+01 1.0000000E+00 1.0000000E+00 21 7.3419786E+00 1.0000000E+00 1.0000000E+00 22 4.4486637E+00 1.0000000E+00 1.0000000E+00 23 2.6955416E+00 1.0000000E+00 1.0000000E+00 24 1.6332869E+00 1.0000000E+00 1.0000000E+00 25 9.8964389E-01 1.0000000E+00 1.0000000E+00 26 5.9964664E-01 1.0000000E+00 1.0000000E+00 27 3.6333887E-01 1.0000000E+00 1.0000000E+00 28 2.2015488E-01 1.0000000E+00 1.0000000E+00 29 1.3339661E-01 1.0000000E+00 1.0000000E+00 30 8.0827890E-02 1.0000000E+00 1.0000000E+00 31 4.8975367E-02 1.0000000E+00 1.0000000E+00 32 2.9675234E-02 1.0000000E+00 1.0000000E+00 33 1.7980866E-02 1.0000000E+00 1.0000000E+00 34 1.0894996E-02 1.0000000E+00 1.0000000E+00 35 6.6015138E-03 1.0000000E+00 1.0000000E+00 36 4.0000000E-03 1.0000000E+00 1.0000000E+00 F- 1 9.8000000E+03 1.0000000E+00 1.0000000E+00 2 6.3777470E+03 1.0000000E+00 1.0000000E+00 3 4.1505772E+03 1.0000000E+00 1.0000000E+00 4 2.7011562E+03 1.0000000E+00 1.0000000E+00 5 1.7578868E+03 1.0000000E+00 1.0000000E+00 6 1.1440160E+03 1.0000000E+00 1.0000000E+00 7 7.4451478E+02 1.0000000E+00 1.0000000E+00 8 4.8452315E+02 1.0000000E+00 1.0000000E+00 9 3.1532307E+02 1.0000000E+00 1.0000000E+00 10 2.0520926E+02 1.0000000E+00 1.0000000E+00 11 1.3354824E+02 1.0000000E+00 1.0000000E+00 12 8.6911924E+01 1.0000000E+00 1.0000000E+00 13 5.6561455E+01 1.0000000E+00 1.0000000E+00 14 3.6809658E+01 1.0000000E+00 1.0000000E+00 15 2.3955376E+01 1.0000000E+00 1.0000000E+00 16 1.5589931E+01 1.0000000E+00 1.0000000E+00 17 1.0145779E+01 1.0000000E+00 1.0000000E+00 18 6.6027768E+00 1.0000000E+00 1.0000000E+00 19 4.2970244E+00 1.0000000E+00 1.0000000E+00 20 2.7964627E+00 1.0000000E+00 1.0000000E+00 21 1.8199114E+00 1.0000000E+00 1.0000000E+00 22 1.1843810E+00 1.0000000E+00 1.0000000E+00 23 7.7078394E-01 1.0000000E+00 1.0000000E+00 24 5.0161887E-01 1.0000000E+00 1.0000000E+00 25 3.2644880E-01 1.0000000E+00 1.0000000E+00 26 2.1244978E-01 1.0000000E+00 1.0000000E+00 27 1.3826030E-01 1.0000000E+00 1.0000000E+00 28 8.9978489E-02 1.0000000E+00 1.0000000E+00 29 5.8557147E-02 1.0000000E+00 1.0000000E+00 30 3.8108435E-02 1.0000000E+00 1.0000000E+00 31 2.4800608E-02 1.0000000E+00 1.0000000E+00 32 1.6140000E-02 1.0000000E+00 1.0000000E+00 F+ 1 7.7500000E+03 1.0000000E+00 1.0000000E+00 2 5.0688668E+03 1.0000000E+00 1.0000000E+00 3 3.3152788E+03 1.0000000E+00 1.0000000E+00 4 2.1683493E+03 1.0000000E+00 1.0000000E+00 5 1.4182031E+03 1.0000000E+00 1.0000000E+00 6 9.2757194E+02 1.0000000E+00 1.0000000E+00 7 6.0667595E+02 1.0000000E+00 1.0000000E+00 8 3.9679479E+02 1.0000000E+00 1.0000000E+00 9 2.5952257E+02 1.0000000E+00 1.0000000E+00 10 1.6974005E+02 1.0000000E+00 1.0000000E+00 11 1.1101803E+02 1.0000000E+00 1.0000000E+00 12 7.2611043E+01 1.0000000E+00 1.0000000E+00 13 4.7491059E+01 1.0000000E+00 1.0000000E+00 14 3.1061401E+01 1.0000000E+00 1.0000000E+00 15 2.0315626E+01 1.0000000E+00 1.0000000E+00 16 1.3287381E+01 1.0000000E+00 1.0000000E+00 17 8.6905763E+00 1.0000000E+00 1.0000000E+00 18 5.6840482E+00 1.0000000E+00 1.0000000E+00 19 3.7176366E+00 1.0000000E+00 1.0000000E+00 20 2.4315103E+00 1.0000000E+00 1.0000000E+00 21 1.5903228E+00 1.0000000E+00 1.0000000E+00 22 1.0401464E+00 1.0000000E+00 1.0000000E+00 23 6.8030498E-01 1.0000000E+00 1.0000000E+00 24 4.4495166E-01 1.0000000E+00 1.0000000E+00 25 2.9101945E-01 1.0000000E+00 1.0000000E+00 26 1.9034049E-01 1.0000000E+00 1.0000000E+00 27 1.2449169E-01 1.0000000E+00 1.0000000E+00 28 8.1423459E-02 1.0000000E+00 1.0000000E+00 29 5.3254797E-02 1.0000000E+00 1.0000000E+00 30 3.4831158E-02 1.0000000E+00 1.0000000E+00 31 2.2781226E-02 1.0000000E+00 1.0000000E+00 32 1.4900000E-02 1.0000000E+00 1.0000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -2.1252549E+03 -3.6161475E+02 -8.3014507E+01 -1.7344670E+01 -2.3189269E+00 -1.9209551E-01 ------------ ------------ ------------ ------------ ------------ ------------ 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1.8569932E-04 9 5.2137045E-04 10 1.3749816E-03 11 3.5865997E-03 12 8.8052874E-03 13 1.9407952E-02 14 3.8400121E-02 15 7.0530225E-02 16 1.1399494E-01 17 1.5545084E-01 18 1.8288954E-01 19 1.9117494E-01 20 1.7976713E-01 21 1.5358395E-01 22 1.2102963E-01 23 8.8626654E-02 24 5.9546737E-02 25 3.5510225E-02 26 1.8040520E-02 27 7.3878010E-03 28 2.2204255E-03 29 4.1485066E-04 30 3.9642699E-05 31 1.2905522E-06 32 1.0563765E-07 *** Small-Component *** 33 2.4109127E-07 34 -8.2562509E-08 35 8.2582001E-07 36 8.3601994E-07 37 3.2274395E-06 38 6.8227323E-06 39 1.7514321E-05 40 4.0810900E-05 41 9.4183923E-05 42 2.0643641E-04 43 4.4027287E-04 44 8.8194482E-04 45 1.5789073E-03 46 2.5317633E-03 47 3.7610448E-03 48 4.9125251E-03 49 5.4100587E-03 50 5.1382585E-03 51 4.3345212E-03 52 3.2888846E-03 53 2.2670489E-03 54 1.4413702E-03 55 8.5149925E-04 56 4.6155680E-04 57 2.2203690E-04 58 9.1003743E-05 59 3.0057392E-05 60 7.2873574E-06 61 1.0964880E-06 62 8.3302017E-08 63 2.4017933E-09 64 -5.4770923E-10 4F+ -4.7493163E-01 ------------ *** Large-Component *** 1 3.5889443E-07 2 -1.5844182E-07 3 1.8767524E-06 4 2.3714372E-06 5 1.1103733E-05 6 2.9275501E-05 7 9.1081448E-05 8 2.5941232E-04 9 7.2102223E-04 10 1.9221353E-03 11 4.9372995E-03 12 1.1691099E-02 13 2.4589786E-02 14 4.7285213E-02 15 8.3201495E-02 16 1.2607743E-01 17 1.6262463E-01 18 1.8408222E-01 19 1.8670865E-01 20 1.7119132E-01 21 1.4377429E-01 22 1.1241764E-01 23 8.2213198E-02 24 5.5288761E-02 25 3.3079432E-02 26 1.6940910E-02 27 7.0366753E-03 28 2.1528106E-03 29 4.1072891E-04 30 3.9175579E-05 31 1.3520070E-06 32 5.1957548E-08 *** Small-Component *** 33 2.6686781E-07 34 -6.6561082E-08 35 9.7557860E-07 36 1.1642809E-06 37 4.1560978E-06 38 9.2710110E-06 39 2.3448940E-05 40 5.4855166E-05 41 1.2425709E-04 42 2.6987008E-04 43 5.6350987E-04 44 1.0831647E-03 45 1.8466413E-03 46 2.8765628E-03 47 4.0983250E-03 48 5.0260817E-03 49 5.2450279E-03 50 4.8025897E-03 51 3.9399424E-03 52 2.9217572E-03 53 1.9845543E-03 54 1.2549606E-03 55 7.4224205E-04 56 4.0369249E-04 57 1.9533313E-04 58 8.0903037E-05 59 2.7176392E-05 60 6.7244752E-06 61 1.0373502E-06 62 8.0123670E-08 63 2.1946855E-09 64 7.8858503E-11 RADIAL MOMENTS Sym Orb S+ 1 1.39742E+04 7.75411E+01 2.03676E-02 5.67810E-04 2.01149E-05 8.65159E-07 2 1.81961E+03 1.86663E+01 8.58247E-02 8.76399E-03 1.02003E-03 1.33712E-04 3 4.00673E+02 6.84800E+00 2.24217E-01 5.76045E-02 1.62900E-02 5.02593E-03 4 9.48981E+01 2.83562E+00 5.08727E-01 2.92162E-01 1.83062E-01 1.24195E-01 5 1.43712E+01 1.03251E+00 1.27918E+00 1.84425E+00 2.93352E+00 5.12456E+00 6 9.12711E-01 2.86492E-01 4.32685E+00 2.14204E+01 1.19657E+02 7.49224E+02 P- 1 5.74295E+02 1.85964E+01 7.15535E-02 6.34481E-03 6.70792E-04 8.24886E-05 2 1.27912E+02 6.75023E+00 2.14327E-01 5.34764E-02 1.48435E-02 4.53810E-03 3 2.96349E+01 2.72332E+00 5.18848E-01 3.06434E-01 1.98832E-01 1.40723E-01 4 3.90076E+00 9.08718E-01 1.44079E+00 2.36569E+00 4.34592E+00 8.90491E+00 P+ 1 3.55462E+02 1.61435E+01 7.87883E-02 7.55841E-03 8.56902E-04 1.12336E-04 2 8.04678E+01 6.12768E+00 2.27794E-01 6.02123E-02 1.76819E-02 5.71197E-03 3 1.88773E+01 2.52001E+00 5.48539E-01 3.42351E-01 2.34825E-01 1.75788E-01 4 2.43329E+00 8.34743E-01 1.55065E+00 2.74458E+00 5.45095E+00 1.21172E+01 D- 1 4.49911E+01 5.99494E+00 2.01159E-01 4.75824E-02 1.29936E-02 4.03944E-03 2 9.53987E+00 2.29094E+00 5.79610E-01 3.90331E-01 2.95754E-01 2.50668E-01 D+ 1 4.22470E+01 5.84260E+00 2.05349E-01 4.94533E-02 1.37279E-02 4.33430E-03 2 8.93137E+00 2.23781E+00 5.90773E-01 4.05377E-01 3.13053E-01 2.70530E-01 F- 1 3.74018E+00 1.68574E+00 7.82629E-01 8.10864E-01 1.10864E+00 1.97135E+00 F+ 1 3.62325E+00 1.65753E+00 7.99569E-01 8.52026E-01 1.20749E+00 2.24173E+00 ***************************************************************************************** ***************************************************************************************** Tm [Xe]6s(2)4f(13) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 69.0 Atomic Mass = 169.0 Nuclear Radius = 1.266667E-04 Speed of Light = 137.0359955 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 0.57142857 0.0 0.0 0.0 0.0 0.0 6.0 7.0 2 0.42857143 0.0 0.0 0.0 0.0 0.0 5.0 8.0 ENERGIES Total Energy = -1.35743056380823E+04 Mass Energy = -1.35718094060501E+04 Kinetic Energy = 2.85964512719328E+04 Potential Energy = -2.85989475039649E+04 NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 2.4700000E+08 1.0000000E+00 1.0000000E+00 2 1.3984373E+08 1.0000000E+00 1.0000000E+00 3 7.9175181E+07 1.0000000E+00 1.0000000E+00 4 4.4826530E+07 1.0000000E+00 1.0000000E+00 5 2.5379390E+07 1.0000000E+00 1.0000000E+00 6 1.4369023E+07 1.0000000E+00 1.0000000E+00 7 8.1352946E+06 1.0000000E+00 1.0000000E+00 8 4.6059513E+06 1.0000000E+00 1.0000000E+00 9 2.6077466E+06 1.0000000E+00 1.0000000E+00 10 1.4764252E+06 1.0000000E+00 1.0000000E+00 11 8.3590612E+05 1.0000000E+00 1.0000000E+00 12 4.7326410E+05 1.0000000E+00 1.0000000E+00 13 2.6794744E+05 1.0000000E+00 1.0000000E+00 14 1.5170352E+05 1.0000000E+00 1.0000000E+00 15 8.5889827E+04 1.0000000E+00 1.0000000E+00 16 4.8628154E+04 1.0000000E+00 1.0000000E+00 17 2.7531751E+04 1.0000000E+00 1.0000000E+00 18 1.5587623E+04 1.0000000E+00 1.0000000E+00 19 8.8252283E+03 1.0000000E+00 1.0000000E+00 20 4.9965703E+03 1.0000000E+00 1.0000000E+00 21 2.8289030E+03 1.0000000E+00 1.0000000E+00 22 1.6016371E+03 1.0000000E+00 1.0000000E+00 23 9.0679719E+02 1.0000000E+00 1.0000000E+00 24 5.1340042E+02 1.0000000E+00 1.0000000E+00 25 2.9067138E+02 1.0000000E+00 1.0000000E+00 26 1.6456911E+02 1.0000000E+00 1.0000000E+00 27 9.3173924E+01 1.0000000E+00 1.0000000E+00 28 5.2752184E+01 1.0000000E+00 1.0000000E+00 29 2.9866649E+01 1.0000000E+00 1.0000000E+00 30 1.6909570E+01 1.0000000E+00 1.0000000E+00 31 9.5736734E+00 1.0000000E+00 1.0000000E+00 32 5.4203167E+00 1.0000000E+00 1.0000000E+00 33 3.0688151E+00 1.0000000E+00 1.0000000E+00 34 1.7374678E+00 1.0000000E+00 1.0000000E+00 35 9.8370036E-01 1.0000000E+00 1.0000000E+00 36 5.5694061E-01 1.0000000E+00 1.0000000E+00 37 3.1532248E-01 1.0000000E+00 1.0000000E+00 38 1.7852580E-01 1.0000000E+00 1.0000000E+00 39 1.0107577E-01 1.0000000E+00 1.0000000E+00 40 5.7225962E-02 1.0000000E+00 1.0000000E+00 41 3.2399564E-02 1.0000000E+00 1.0000000E+00 42 1.8343627E-02 1.0000000E+00 1.0000000E+00 43 1.0385592E-02 1.0000000E+00 1.0000000E+00 44 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.3985048E+08 1.0000000E+00 1.0000000E+00 3 7.8389406E+07 1.0000000E+00 1.0000000E+00 4 4.3939063E+07 1.0000000E+00 1.0000000E+00 5 2.4628854E+07 1.0000000E+00 1.0000000E+00 6 1.3805038E+07 1.0000000E+00 1.0000000E+00 7 7.7380410E+06 1.0000000E+00 1.0000000E+00 8 4.3373497E+06 1.0000000E+00 1.0000000E+00 9 2.4311841E+06 1.0000000E+00 1.0000000E+00 10 1.3627345E+06 1.0000000E+00 1.0000000E+00 11 7.6384401E+05 1.0000000E+00 1.0000000E+00 12 4.2815211E+05 1.0000000E+00 1.0000000E+00 13 2.3998909E+05 1.0000000E+00 1.0000000E+00 14 1.3451940E+05 1.0000000E+00 1.0000000E+00 15 7.5401213E+04 1.0000000E+00 1.0000000E+00 16 4.2264112E+04 1.0000000E+00 1.0000000E+00 17 2.3690005E+04 1.0000000E+00 1.0000000E+00 18 1.3278792E+04 1.0000000E+00 1.0000000E+00 19 7.4430679E+03 1.0000000E+00 1.0000000E+00 20 4.1720105E+03 1.0000000E+00 1.0000000E+00 21 2.3385077E+03 1.0000000E+00 1.0000000E+00 22 1.3107873E+03 1.0000000E+00 1.0000000E+00 23 7.3472638E+02 1.0000000E+00 1.0000000E+00 24 4.1183101E+02 1.0000000E+00 1.0000000E+00 25 2.3084074E+02 1.0000000E+00 1.0000000E+00 26 1.2939154E+02 1.0000000E+00 1.0000000E+00 27 7.2526928E+01 1.0000000E+00 1.0000000E+00 28 4.0653009E+01 1.0000000E+00 1.0000000E+00 29 2.2786945E+01 1.0000000E+00 1.0000000E+00 30 1.2772606E+01 1.0000000E+00 1.0000000E+00 31 7.1593392E+00 1.0000000E+00 1.0000000E+00 32 4.0129740E+00 1.0000000E+00 1.0000000E+00 33 2.2493641E+00 1.0000000E+00 1.0000000E+00 34 1.2608203E+00 1.0000000E+00 1.0000000E+00 35 7.0671871E-01 1.0000000E+00 1.0000000E+00 36 3.9613207E-01 1.0000000E+00 1.0000000E+00 37 2.2204112E-01 1.0000000E+00 1.0000000E+00 38 1.2445915E-01 1.0000000E+00 1.0000000E+00 39 6.9762212E-02 1.0000000E+00 1.0000000E+00 40 3.9103322E-02 1.0000000E+00 1.0000000E+00 41 2.1918310E-02 1.0000000E+00 1.0000000E+00 42 1.2285716E-02 1.0000000E+00 1.0000000E+00 43 6.8864261E-03 1.0000000E+00 1.0000000E+00 44 3.8600000E-03 1.0000000E+00 1.0000000E+00 P+ 1 2.0100000E+07 1.0000000E+00 1.0000000E+00 2 1.1922144E+07 1.0000000E+00 1.0000000E+00 3 7.0715183E+06 1.0000000E+00 1.0000000E+00 4 4.1944110E+06 1.0000000E+00 1.0000000E+00 5 2.4878792E+06 1.0000000E+00 1.0000000E+00 6 1.4756644E+06 1.0000000E+00 1.0000000E+00 7 8.7527777E+05 1.0000000E+00 1.0000000E+00 8 5.1916357E+05 1.0000000E+00 1.0000000E+00 9 3.0793745E+05 1.0000000E+00 1.0000000E+00 10 1.8265048E+05 1.0000000E+00 1.0000000E+00 11 1.0833758E+05 1.0000000E+00 1.0000000E+00 12 6.4259514E+04 1.0000000E+00 1.0000000E+00 13 3.8114984E+04 1.0000000E+00 1.0000000E+00 14 2.2607579E+04 1.0000000E+00 1.0000000E+00 15 1.3409493E+04 1.0000000E+00 1.0000000E+00 16 7.9537267E+03 1.0000000E+00 1.0000000E+00 17 4.7176853E+03 1.0000000E+00 1.0000000E+00 18 2.7982549E+03 1.0000000E+00 1.0000000E+00 19 1.6597611E+03 1.0000000E+00 1.0000000E+00 20 9.8447319E+02 1.0000000E+00 1.0000000E+00 21 5.8393190E+02 1.0000000E+00 1.0000000E+00 22 3.4635424E+02 1.0000000E+00 1.0000000E+00 23 2.0543707E+02 1.0000000E+00 1.0000000E+00 24 1.2185325E+02 1.0000000E+00 1.0000000E+00 25 7.2276219E+01 1.0000000E+00 1.0000000E+00 26 4.2870025E+01 1.0000000E+00 1.0000000E+00 27 2.5427991E+01 1.0000000E+00 1.0000000E+00 28 1.5082396E+01 1.0000000E+00 1.0000000E+00 29 8.9459951E+00 1.0000000E+00 1.0000000E+00 30 5.3062409E+00 1.0000000E+00 1.0000000E+00 31 3.1473517E+00 1.0000000E+00 1.0000000E+00 32 1.8668249E+00 1.0000000E+00 1.0000000E+00 33 1.1072913E+00 1.0000000E+00 1.0000000E+00 34 6.5678041E-01 1.0000000E+00 1.0000000E+00 35 3.8956371E-01 1.0000000E+00 1.0000000E+00 36 2.3106640E-01 1.0000000E+00 1.0000000E+00 37 1.3705507E-01 1.0000000E+00 1.0000000E+00 38 8.1293050E-02 1.0000000E+00 1.0000000E+00 39 4.8218281E-02 1.0000000E+00 1.0000000E+00 40 2.8600263E-02 1.0000000E+00 1.0000000E+00 41 1.6964003E-02 1.0000000E+00 1.0000000E+00 42 1.0062054E-02 1.0000000E+00 1.0000000E+00 43 5.9682218E-03 1.0000000E+00 1.0000000E+00 44 3.5400000E-03 1.0000000E+00 1.0000000E+00 D- 1 8.2000000E+05 1.0000000E+00 1.0000000E+00 2 4.7626832E+05 1.0000000E+00 1.0000000E+00 3 2.7662380E+05 1.0000000E+00 1.0000000E+00 4 1.6066726E+05 1.0000000E+00 1.0000000E+00 5 9.3317959E+04 1.0000000E+00 1.0000000E+00 6 5.4200473E+04 1.0000000E+00 1.0000000E+00 7 3.1480449E+04 1.0000000E+00 1.0000000E+00 8 1.8284318E+04 1.0000000E+00 1.0000000E+00 9 1.0619807E+04 1.0000000E+00 1.0000000E+00 10 6.1681434E+03 1.0000000E+00 1.0000000E+00 11 3.5825504E+03 1.0000000E+00 1.0000000E+00 12 2.0807991E+03 1.0000000E+00 1.0000000E+00 13 1.2085594E+03 1.0000000E+00 1.0000000E+00 14 7.0194945E+02 1.0000000E+00 1.0000000E+00 15 4.0770279E+02 1.0000000E+00 1.0000000E+00 16 2.3679991E+02 1.0000000E+00 1.0000000E+00 17 1.3753695E+02 1.0000000E+00 1.0000000E+00 18 7.9883525E+01 1.0000000E+00 1.0000000E+00 19 4.6397552E+01 1.0000000E+00 1.0000000E+00 20 2.6948395E+01 1.0000000E+00 1.0000000E+00 21 1.5652033E+01 1.0000000E+00 1.0000000E+00 22 9.0909360E+00 1.0000000E+00 1.0000000E+00 23 5.2801523E+00 1.0000000E+00 1.0000000E+00 24 3.0667918E+00 1.0000000E+00 1.0000000E+00 25 1.7812388E+00 1.0000000E+00 1.0000000E+00 26 1.0345702E+00 1.0000000E+00 1.0000000E+00 27 6.0089395E-01 1.0000000E+00 1.0000000E+00 28 3.4900823E-01 1.0000000E+00 1.0000000E+00 29 2.0270923E-01 1.0000000E+00 1.0000000E+00 30 1.1773657E-01 1.0000000E+00 1.0000000E+00 31 6.8383167E-02 1.0000000E+00 1.0000000E+00 32 3.9717971E-02 1.0000000E+00 1.0000000E+00 33 2.3068794E-02 1.0000000E+00 1.0000000E+00 34 1.3398703E-02 1.0000000E+00 1.0000000E+00 35 7.7821678E-03 1.0000000E+00 1.0000000E+00 36 4.5200000E-03 1.0000000E+00 1.0000000E+00 D+ 1 1.6500000E+05 1.0000000E+00 1.0000000E+00 2 9.9977070E+04 1.0000000E+00 1.0000000E+00 3 6.0578269E+04 1.0000000E+00 1.0000000E+00 4 3.6705684E+04 1.0000000E+00 1.0000000E+00 5 2.2240768E+04 1.0000000E+00 1.0000000E+00 6 1.3476162E+04 1.0000000E+00 1.0000000E+00 7 8.1654983E+03 1.0000000E+00 1.0000000E+00 8 4.9476521E+03 1.0000000E+00 1.0000000E+00 9 2.9978894E+03 1.0000000E+00 1.0000000E+00 10 1.8164861E+03 1.0000000E+00 1.0000000E+00 11 1.1006482E+03 1.0000000E+00 1.0000000E+00 12 6.6690656E+02 1.0000000E+00 1.0000000E+00 13 4.0409311E+02 1.0000000E+00 1.0000000E+00 14 2.4484876E+02 1.0000000E+00 1.0000000E+00 15 1.4835916E+02 1.0000000E+00 1.0000000E+00 16 8.9894024E+01 1.0000000E+00 1.0000000E+00 17 5.4468734E+01 1.0000000E+00 1.0000000E+00 18 3.3003784E+01 1.0000000E+00 1.0000000E+00 19 1.9997707E+01 1.0000000E+00 1.0000000E+00 20 1.2117043E+01 1.0000000E+00 1.0000000E+00 21 7.3419786E+00 1.0000000E+00 1.0000000E+00 22 4.4486637E+00 1.0000000E+00 1.0000000E+00 23 2.6955416E+00 1.0000000E+00 1.0000000E+00 24 1.6332869E+00 1.0000000E+00 1.0000000E+00 25 9.8964389E-01 1.0000000E+00 1.0000000E+00 26 5.9964664E-01 1.0000000E+00 1.0000000E+00 27 3.6333887E-01 1.0000000E+00 1.0000000E+00 28 2.2015488E-01 1.0000000E+00 1.0000000E+00 29 1.3339661E-01 1.0000000E+00 1.0000000E+00 30 8.0827890E-02 1.0000000E+00 1.0000000E+00 31 4.8975367E-02 1.0000000E+00 1.0000000E+00 32 2.9675234E-02 1.0000000E+00 1.0000000E+00 33 1.7980866E-02 1.0000000E+00 1.0000000E+00 34 1.0894996E-02 1.0000000E+00 1.0000000E+00 35 6.6015138E-03 1.0000000E+00 1.0000000E+00 36 4.0000000E-03 1.0000000E+00 1.0000000E+00 F- 1 9.8000000E+03 1.0000000E+00 1.0000000E+00 2 6.3777470E+03 1.0000000E+00 1.0000000E+00 3 4.1505772E+03 1.0000000E+00 1.0000000E+00 4 2.7011562E+03 1.0000000E+00 1.0000000E+00 5 1.7578868E+03 1.0000000E+00 1.0000000E+00 6 1.1440160E+03 1.0000000E+00 1.0000000E+00 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2.3858836E-02 3.1183038E-01 22 2.8356587E-03 3.3522101E-01 23 6.0190382E-04 2.2669417E-01 24 7.0232698E-05 9.8648922E-02 25 1.2120616E-04 2.6339242E-02 26 -2.9157032E-05 4.8614302E-03 27 4.5315537E-05 7.4529939E-04 28 -2.6630799E-05 2.6815893E-04 29 2.2018721E-05 -5.5076132E-05 30 -1.5751001E-05 6.3875546E-05 31 1.1335558E-05 -4.5600504E-05 32 -7.7642368E-06 3.1881201E-05 33 4.9289546E-06 -2.0562483E-05 34 -2.7254188E-06 1.1483057E-05 35 1.1605710E-06 -4.9233571E-06 36 -2.8063795E-07 1.1959082E-06 *** Small-Component *** 37 4.1207168E-07 -1.9024090E-07 38 -6.7882265E-08 2.3255614E-09 39 1.3346730E-06 -5.7402482E-07 40 1.4948259E-06 -8.3851031E-07 41 5.2269085E-06 -2.3278007E-06 42 1.0644017E-05 -5.3946177E-06 43 2.6780656E-05 -1.2504795E-05 44 6.0529448E-05 -2.9690718E-05 45 1.4218946E-04 -6.7820236E-05 46 3.2114790E-04 -1.5610459E-04 47 7.2205879E-04 -3.4827469E-04 48 1.5593135E-03 -7.5996259E-04 49 3.1995369E-03 -1.5619451E-03 50 6.0350149E-03 -2.9805129E-03 51 1.0328070E-02 -5.1638053E-03 52 1.5080443E-02 -7.6126725E-03 53 1.7868797E-02 -8.8537392E-03 54 1.6219523E-02 -7.4438882E-03 55 9.6615524E-03 -1.6295802E-03 56 3.3548794E-03 5.2144959E-03 57 6.2489585E-04 8.1541268E-03 58 5.7755182E-05 6.8253852E-03 59 9.5751515E-06 3.5932711E-03 60 8.4451918E-07 1.2172343E-03 61 1.1804526E-06 2.5297041E-04 62 -2.2980094E-07 3.6353833E-05 63 2.7234003E-07 4.3307529E-06 64 -1.2691088E-07 1.2193967E-06 65 8.2191387E-08 -1.9763331E-07 66 -4.6501859E-08 1.7779316E-07 67 2.6525918E-08 -9.9176972E-08 68 -1.4486211E-08 5.4218002E-08 69 7.3873632E-09 -2.7386475E-08 70 -3.3165074E-09 1.2006716E-08 71 1.1643195E-09 -4.0562387E-09 72 -2.3727967E-10 7.8081828E-10 4F- -5.3080447E-01 ------------ *** Large-Component *** 1 9.5109293E-07 2 -1.0485976E-06 3 3.8688429E-06 4 5.9373948E-07 5 1.3207304E-05 6 2.3352756E-05 7 7.9028422E-05 8 2.0692958E-04 9 5.7836834E-04 10 1.5230512E-03 11 3.9602169E-03 12 9.6539684E-03 13 2.1061984E-02 14 4.1425674E-02 15 7.5375349E-02 16 1.1963102E-01 17 1.6005202E-01 18 1.8524195E-01 19 1.9076344E-01 20 1.7694368E-01 21 1.4945045E-01 22 1.1668987E-01 23 8.4748886E-02 24 5.6453494E-02 25 3.3346582E-02 26 1.6758805E-02 27 6.7700350E-03 28 1.9963406E-03 29 3.6277937E-04 30 3.3504810E-05 31 1.0295369E-06 32 9.2398026E-08 *** Small-Component *** 33 2.7096691E-07 34 -9.1346657E-08 35 9.2327542E-07 36 9.4514343E-07 37 3.6027131E-06 38 7.6537077E-06 39 1.9533542E-05 40 4.5491769E-05 41 1.0448432E-04 42 2.2868399E-04 43 4.8614713E-04 44 9.6702273E-04 45 1.7135657E-03 46 2.7313049E-03 47 4.0194705E-03 48 5.1555033E-03 49 5.5702362E-03 50 5.2043582E-03 51 4.3251689E-03 52 3.2372134E-03 53 2.2060166E-03 54 1.3896800E-03 55 8.1423493E-04 56 4.3757867E-04 57 2.0850491E-04 58 8.4538024E-05 59 2.7542649E-05 60 6.5519798E-06 61 9.5836911E-07 62 7.0327281E-08 63 1.8971479E-09 64 -5.4442163E-10 4F+ -4.7850766E-01 ------------ *** Large-Component *** 1 4.0249062E-07 2 -1.7753183E-07 3 2.0993911E-06 4 2.6549683E-06 5 1.2394094E-05 6 3.2684244E-05 7 1.0138149E-04 8 2.8803208E-04 9 7.9787408E-04 10 2.1234227E-03 11 5.4309529E-03 12 1.2747711E-02 13 2.6584173E-02 14 5.0827333E-02 15 8.8270539E-02 16 1.3125259E-01 17 1.6637226E-01 18 1.8549075E-01 19 1.8551244E-01 20 1.6801175E-01 21 1.3975463E-01 22 1.0848425E-01 23 7.8856324E-02 24 5.2721835E-02 25 3.1369053E-02 26 1.5978529E-02 27 6.5977215E-03 28 2.0011480E-03 29 3.7722248E-04 30 3.5171050E-05 31 1.2258669E-06 32 3.5406071E-08 *** Small-Component *** 33 2.9837762E-07 34 -7.3773912E-08 35 1.0885653E-06 36 1.3035816E-06 37 4.6337390E-06 38 1.0346833E-05 39 2.6089419E-05 40 6.0893645E-05 41 1.3747779E-04 42 2.9811454E-04 43 6.1984491E-04 44 1.1810390E-03 45 1.9963936E-03 46 3.0921207E-03 47 4.3481368E-03 48 5.2324721E-03 49 5.3659495E-03 50 4.8393730E-03 51 3.9147172E-03 52 2.8674973E-03 53 1.9290716E-03 54 1.2110515E-03 55 7.1193543E-04 56 3.8495023E-04 57 1.8523332E-04 58 7.6307172E-05 59 2.5481052E-05 60 6.2507866E-06 61 9.5269772E-07 62 7.1950595E-08 63 1.9829786E-09 64 5.7548854E-11 RADIAL MOMENTS Sym Orb S+ 1 1.46043E+04 7.90662E+01 2.00090E-02 5.48419E-04 1.91092E-05 8.08636E-07 2 1.91542E+03 1.90703E+01 8.42339E-02 8.44570E-03 9.65283E-04 1.24261E-04 3 4.23468E+02 7.00083E+00 2.19873E-01 5.54037E-02 1.53662E-02 4.64941E-03 4 1.00610E+02 2.89978E+00 4.98480E-01 2.80558E-01 1.72289E-01 1.14563E-01 5 1.51492E+01 1.05209E+00 1.25634E+00 1.77962E+00 2.78243E+00 4.78005E+00 6 9.46074E-01 2.89837E-01 4.27848E+00 2.09587E+01 1.15931E+02 7.19241E+02 P- 1 6.04122E+02 1.89990E+01 7.01598E-02 6.10396E-03 6.33345E-04 7.64543E-05 2 1.35210E+02 6.90291E+00 2.10010E-01 5.13557E-02 1.39707E-02 4.18590E-03 3 3.14314E+01 2.78685E+00 5.07933E-01 2.93738E-01 1.86636E-01 1.29356E-01 4 4.10151E+00 9.25719E-01 1.41526E+00 2.28380E+00 4.12590E+00 8.31921E+00 P+ 1 3.67422E+02 1.64114E+01 7.75057E-02 7.31423E-03 8.15674E-04 1.05177E-04 2 8.35928E+01 6.24462E+00 2.23652E-01 5.80486E-02 1.67371E-02 5.30803E-03 3 1.96696E+01 2.57106E+00 5.38073E-01 3.29474E-01 2.21743E-01 1.62890E-01 4 2.50837E+00 8.47214E-01 1.52809E+00 2.66699E+00 5.22732E+00 1.14771E+01 D- 1 4.67858E+01 6.11313E+00 1.97249E-01 4.57447E-02 1.22460E-02 3.73189E-03 2 9.96978E+00 2.34160E+00 5.67368E-01 3.74110E-01 2.77587E-01 2.30434E-01 D+ 1 4.38427E+01 5.95289E+00 2.01488E-01 4.76003E-02 1.29600E-02 4.01298E-03 2 9.31179E+00 2.28534E+00 5.78691E-01 3.89062E-01 2.94436E-01 2.49399E-01 F- 1 3.94120E+00 1.73078E+00 7.62500E-01 7.70658E-01 1.03010E+00 1.79548E+00 F+ 1 3.81088E+00 1.70000E+00 7.80254E-01 8.13054E-01 1.13039E+00 2.06631E+00 ***************************************************************************************** ***************************************************************************************** Yb [Xe]6s(2)4f(14) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 70.0 Atomic Mass = 174.0 Nuclear Radius = 1.277680E-04 Speed of Light = 137.0359955 S+ P- P+ D- D+ F- F+ Number of Closed Shells 6 4 4 2 2 1 1 Open Shells 0 0 0 0 0 0 0 ENERGIES Total Energy = -1.40676641354839E+04 Mass Energy = -1.40648755919585E+04 Kinetic Energy = 2.96859991661382E+04 Potential Energy = -2.96887877096636E+04 NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 2.4700000E+08 1.0000000E+00 1.0000000E+00 2 1.3984373E+08 1.0000000E+00 1.0000000E+00 3 7.9175181E+07 1.0000000E+00 1.0000000E+00 4 4.4826530E+07 1.0000000E+00 1.0000000E+00 5 2.5379390E+07 1.0000000E+00 1.0000000E+00 6 1.4369023E+07 1.0000000E+00 1.0000000E+00 7 8.1352946E+06 1.0000000E+00 1.0000000E+00 8 4.6059513E+06 1.0000000E+00 1.0000000E+00 9 2.6077466E+06 1.0000000E+00 1.0000000E+00 10 1.4764252E+06 1.0000000E+00 1.0000000E+00 11 8.3590612E+05 1.0000000E+00 1.0000000E+00 12 4.7326410E+05 1.0000000E+00 1.0000000E+00 13 2.6794744E+05 1.0000000E+00 1.0000000E+00 14 1.5170352E+05 1.0000000E+00 1.0000000E+00 15 8.5889827E+04 1.0000000E+00 1.0000000E+00 16 4.8628154E+04 1.0000000E+00 1.0000000E+00 17 2.7531751E+04 1.0000000E+00 1.0000000E+00 18 1.5587623E+04 1.0000000E+00 1.0000000E+00 19 8.8252283E+03 1.0000000E+00 1.0000000E+00 20 4.9965703E+03 1.0000000E+00 1.0000000E+00 21 2.8289030E+03 1.0000000E+00 1.0000000E+00 22 1.6016371E+03 1.0000000E+00 1.0000000E+00 23 9.0679719E+02 1.0000000E+00 1.0000000E+00 24 5.1340042E+02 1.0000000E+00 1.0000000E+00 25 2.9067138E+02 1.0000000E+00 1.0000000E+00 26 1.6456911E+02 1.0000000E+00 1.0000000E+00 27 9.3173924E+01 1.0000000E+00 1.0000000E+00 28 5.2752184E+01 1.0000000E+00 1.0000000E+00 29 2.9866649E+01 1.0000000E+00 1.0000000E+00 30 1.6909570E+01 1.0000000E+00 1.0000000E+00 31 9.5736734E+00 1.0000000E+00 1.0000000E+00 32 5.4203167E+00 1.0000000E+00 1.0000000E+00 33 3.0688151E+00 1.0000000E+00 1.0000000E+00 34 1.7374678E+00 1.0000000E+00 1.0000000E+00 35 9.8370036E-01 1.0000000E+00 1.0000000E+00 36 5.5694061E-01 1.0000000E+00 1.0000000E+00 37 3.1532248E-01 1.0000000E+00 1.0000000E+00 38 1.7852580E-01 1.0000000E+00 1.0000000E+00 39 1.0107577E-01 1.0000000E+00 1.0000000E+00 40 5.7225962E-02 1.0000000E+00 1.0000000E+00 41 3.2399564E-02 1.0000000E+00 1.0000000E+00 42 1.8343627E-02 1.0000000E+00 1.0000000E+00 43 1.0385592E-02 1.0000000E+00 1.0000000E+00 44 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.3985048E+08 1.0000000E+00 1.0000000E+00 3 7.8389406E+07 1.0000000E+00 1.0000000E+00 4 4.3939063E+07 1.0000000E+00 1.0000000E+00 5 2.4628854E+07 1.0000000E+00 1.0000000E+00 6 1.3805038E+07 1.0000000E+00 1.0000000E+00 7 7.7380410E+06 1.0000000E+00 1.0000000E+00 8 4.3373497E+06 1.0000000E+00 1.0000000E+00 9 2.4311841E+06 1.0000000E+00 1.0000000E+00 10 1.3627345E+06 1.0000000E+00 1.0000000E+00 11 7.6384401E+05 1.0000000E+00 1.0000000E+00 12 4.2815211E+05 1.0000000E+00 1.0000000E+00 13 2.3998909E+05 1.0000000E+00 1.0000000E+00 14 1.3451940E+05 1.0000000E+00 1.0000000E+00 15 7.5401213E+04 1.0000000E+00 1.0000000E+00 16 4.2264112E+04 1.0000000E+00 1.0000000E+00 17 2.3690005E+04 1.0000000E+00 1.0000000E+00 18 1.3278792E+04 1.0000000E+00 1.0000000E+00 19 7.4430679E+03 1.0000000E+00 1.0000000E+00 20 4.1720105E+03 1.0000000E+00 1.0000000E+00 21 2.3385077E+03 1.0000000E+00 1.0000000E+00 22 1.3107873E+03 1.0000000E+00 1.0000000E+00 23 7.3472638E+02 1.0000000E+00 1.0000000E+00 24 4.1183101E+02 1.0000000E+00 1.0000000E+00 25 2.3084074E+02 1.0000000E+00 1.0000000E+00 26 1.2939154E+02 1.0000000E+00 1.0000000E+00 27 7.2526928E+01 1.0000000E+00 1.0000000E+00 28 4.0653009E+01 1.0000000E+00 1.0000000E+00 29 2.2786945E+01 1.0000000E+00 1.0000000E+00 30 1.2772606E+01 1.0000000E+00 1.0000000E+00 31 7.1593392E+00 1.0000000E+00 1.0000000E+00 32 4.0129740E+00 1.0000000E+00 1.0000000E+00 33 2.2493641E+00 1.0000000E+00 1.0000000E+00 34 1.2608203E+00 1.0000000E+00 1.0000000E+00 35 7.0671871E-01 1.0000000E+00 1.0000000E+00 36 3.9613207E-01 1.0000000E+00 1.0000000E+00 37 2.2204112E-01 1.0000000E+00 1.0000000E+00 38 1.2445915E-01 1.0000000E+00 1.0000000E+00 39 6.9762212E-02 1.0000000E+00 1.0000000E+00 40 3.9103322E-02 1.0000000E+00 1.0000000E+00 41 2.1918310E-02 1.0000000E+00 1.0000000E+00 42 1.2285716E-02 1.0000000E+00 1.0000000E+00 43 6.8864261E-03 1.0000000E+00 1.0000000E+00 44 3.8600000E-03 1.0000000E+00 1.0000000E+00 P+ 1 2.0100000E+07 1.0000000E+00 1.0000000E+00 2 1.1922144E+07 1.0000000E+00 1.0000000E+00 3 7.0715183E+06 1.0000000E+00 1.0000000E+00 4 4.1944110E+06 1.0000000E+00 1.0000000E+00 5 2.4878792E+06 1.0000000E+00 1.0000000E+00 6 1.4756644E+06 1.0000000E+00 1.0000000E+00 7 8.7527777E+05 1.0000000E+00 1.0000000E+00 8 5.1916357E+05 1.0000000E+00 1.0000000E+00 9 3.0793745E+05 1.0000000E+00 1.0000000E+00 10 1.8265048E+05 1.0000000E+00 1.0000000E+00 11 1.0833758E+05 1.0000000E+00 1.0000000E+00 12 6.4259514E+04 1.0000000E+00 1.0000000E+00 13 3.8114984E+04 1.0000000E+00 1.0000000E+00 14 2.2607579E+04 1.0000000E+00 1.0000000E+00 15 1.3409493E+04 1.0000000E+00 1.0000000E+00 16 7.9537267E+03 1.0000000E+00 1.0000000E+00 17 4.7176853E+03 1.0000000E+00 1.0000000E+00 18 2.7982549E+03 1.0000000E+00 1.0000000E+00 19 1.6597611E+03 1.0000000E+00 1.0000000E+00 20 9.8447319E+02 1.0000000E+00 1.0000000E+00 21 5.8393190E+02 1.0000000E+00 1.0000000E+00 22 3.4635424E+02 1.0000000E+00 1.0000000E+00 23 2.0543707E+02 1.0000000E+00 1.0000000E+00 24 1.2185325E+02 1.0000000E+00 1.0000000E+00 25 7.2276219E+01 1.0000000E+00 1.0000000E+00 26 4.2870025E+01 1.0000000E+00 1.0000000E+00 27 2.5427991E+01 1.0000000E+00 1.0000000E+00 28 1.5082396E+01 1.0000000E+00 1.0000000E+00 29 8.9459951E+00 1.0000000E+00 1.0000000E+00 30 5.3062409E+00 1.0000000E+00 1.0000000E+00 31 3.1473517E+00 1.0000000E+00 1.0000000E+00 32 1.8668249E+00 1.0000000E+00 1.0000000E+00 33 1.1072913E+00 1.0000000E+00 1.0000000E+00 34 6.5678041E-01 1.0000000E+00 1.0000000E+00 35 3.8956371E-01 1.0000000E+00 1.0000000E+00 36 2.3106640E-01 1.0000000E+00 1.0000000E+00 37 1.3705507E-01 1.0000000E+00 1.0000000E+00 38 8.1293050E-02 1.0000000E+00 1.0000000E+00 39 4.8218281E-02 1.0000000E+00 1.0000000E+00 40 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1.0000000E+00 1.0000000E+00 19 4.6397552E+01 1.0000000E+00 1.0000000E+00 20 2.6948395E+01 1.0000000E+00 1.0000000E+00 21 1.5652033E+01 1.0000000E+00 1.0000000E+00 22 9.0909360E+00 1.0000000E+00 1.0000000E+00 23 5.2801523E+00 1.0000000E+00 1.0000000E+00 24 3.0667918E+00 1.0000000E+00 1.0000000E+00 25 1.7812388E+00 1.0000000E+00 1.0000000E+00 26 1.0345702E+00 1.0000000E+00 1.0000000E+00 27 6.0089395E-01 1.0000000E+00 1.0000000E+00 28 3.4900823E-01 1.0000000E+00 1.0000000E+00 29 2.0270923E-01 1.0000000E+00 1.0000000E+00 30 1.1773657E-01 1.0000000E+00 1.0000000E+00 31 6.8383167E-02 1.0000000E+00 1.0000000E+00 32 3.9717971E-02 1.0000000E+00 1.0000000E+00 33 2.3068794E-02 1.0000000E+00 1.0000000E+00 34 1.3398703E-02 1.0000000E+00 1.0000000E+00 35 7.7821678E-03 1.0000000E+00 1.0000000E+00 36 4.5200000E-03 1.0000000E+00 1.0000000E+00 D+ 1 1.6500000E+05 1.0000000E+00 1.0000000E+00 2 9.9977070E+04 1.0000000E+00 1.0000000E+00 3 6.0578269E+04 1.0000000E+00 1.0000000E+00 4 3.6705684E+04 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1.3614501E-01 17 1.6971041E-01 18 1.8648022E-01 19 1.8403067E-01 20 1.6477272E-01 21 1.3587114E-01 22 1.0479407E-01 23 7.5778828E-02 24 5.0424141E-02 25 2.9880866E-02 26 1.5169495E-02 27 6.2444422E-03 28 1.8851628E-03 29 3.5318507E-04 30 3.2335872E-05 31 1.1885194E-06 32 1.0118398E-08 *** Small-Component *** 33 3.3281228E-07 34 -8.2205578E-08 35 1.2127369E-06 36 1.4524256E-06 37 5.1559672E-06 38 1.1506826E-05 39 2.8949798E-05 40 6.7380720E-05 41 1.5168736E-04 42 3.2834733E-04 43 6.7965165E-04 44 1.2834358E-03 45 2.1522589E-03 46 3.3132703E-03 47 4.5950082E-03 48 5.4275939E-03 49 5.4736658E-03 50 4.8652224E-03 51 3.8834644E-03 52 2.8122217E-03 53 1.8754679E-03 54 1.1698574E-03 55 6.8415103E-04 56 3.6817375E-04 57 1.7644554E-04 58 7.2443627E-05 59 2.4116597E-05 60 5.8885357E-06 61 8.9196331E-07 62 6.6166827E-08 63 1.9178471E-09 64 2.4582120E-11 RADIAL MOMENTS Sym Orb S+ 1 1.52608E+04 8.06129E+01 1.96595E-02 5.29857E-04 1.81628E-05 7.56322E-07 2 2.01615E+03 1.94812E+01 8.26861E-02 8.14175E-03 9.13955E-04 1.15561E-04 3 4.47472E+02 7.15565E+00 2.15666E-01 5.33129E-02 1.45056E-02 4.30534E-03 4 1.06626E+02 2.96451E+00 4.88591E-01 2.69582E-01 1.62301E-01 1.05809E-01 5 1.59674E+01 1.07182E+00 1.23420E+00 1.71806E+00 2.64093E+00 4.46266E+00 6 9.80929E-01 2.93197E-01 4.23109E+00 2.05112E+01 1.12356E+02 6.90736E+02 P- 1 6.35523E+02 1.94084E+01 6.88038E-02 5.87419E-03 5.98301E-04 7.09137E-05 2 1.42911E+02 7.05757E+00 2.05832E-01 4.93448E-02 1.31596E-02 3.86521E-03 3 3.33277E+01 2.85096E+00 4.97414E-01 2.81757E-01 1.75365E-01 1.19068E-01 4 4.31276E+00 9.42849E-01 1.39050E+00 2.20572E+00 3.91954E+00 7.77851E+00 P+ 1 3.79619E+02 1.66800E+01 7.62616E-02 7.08126E-03 7.76981E-04 9.85691E-05 2 8.67891E+01 6.36187E+00 2.19652E-01 5.59970E-02 1.58574E-02 4.93885E-03 3 2.04792E+01 2.62208E+00 5.28012E-01 3.17326E-01 2.09633E-01 1.51172E-01 4 2.58430E+00 8.59604E-01 1.50633E+00 2.59325E+00 5.01763E+00 1.08844E+01 D- 1 4.86212E+01 6.23159E+00 1.93483E-01 4.40097E-02 1.15541E-02 3.45293E-03 2 1.04095E+01 2.39222E+00 5.55652E-01 3.58906E-01 2.60910E-01 2.12240E-01 D+ 1 4.54681E+01 6.06315E+00 1.97771E-01 4.58508E-02 1.22490E-02 3.72119E-03 2 9.69898E+00 2.33271E+00 5.67138E-01 3.73772E-01 2.77336E-01 2.30376E-01 F- 1 4.14551E+00 1.77533E+00 7.43670E-01 7.34066E-01 9.60467E-01 1.64333E+00 F+ 1 4.00060E+00 1.74179E+00 7.62296E-01 7.77843E-01 1.06265E+00 1.91624E+00 *****************************************************************************************