********************************************************************************** In [Kr]5s(2)4d(10)5p(1) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 49.0 Atomic Mass = 115.0 Nuclear Radius = 1.130869E-04 Speed of Light = 137.0359955 S+ P- P+ D- D+ Number of Closed Shells 5 3 3 2 2 Open Shells 0 1 1 0 0 Conf Weight Open Shell Occupation Numbers 1 0.33333333 0.0 1.0 0.0 0.0 0.0 0.0 0.0 2 0.66666667 0.0 0.0 1.0 0.0 0.0 0.0 0.0 ENERGIES Total Energy = -5.88043095123985E+03 Mass Energy = -5.88016441432719E+03 Kinetic Energy = 1.20596260147149E+04 Potential Energy = -1.20598925516276E+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+ -1.0327696E+03 -1.5793507E+02 -3.1405507E+01 -5.3088472E+00 -3.9653247E-01 ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 -2.0244522E-06 6.9237619E-07 3.0441683E-07 -1.3062289E-07 -3.6351269E-08 2 8.3653796E-06 -2.8601946E-06 -1.2575028E-06 5.3954312E-07 1.5014667E-07 3 1.3372265E-06 -4.5802777E-07 -2.0100806E-07 8.7436983E-08 2.4444550E-08 4 1.7769385E-05 -6.0810706E-06 -2.6743628E-06 1.1462657E-06 3.1887452E-07 5 1.3082534E-05 -4.4822818E-06 -1.9696721E-06 8.4960616E-07 2.3685405E-07 6 3.6971492E-05 -1.2674868E-05 -5.5762054E-06 2.3885180E-06 6.6430339E-07 7 4.2487706E-05 -1.4582643E-05 -6.4105078E-06 2.7630194E-06 7.7007149E-07 8 8.3300108E-05 -2.8637233E-05 -1.2604501E-05 5.3972641E-06 1.5009243E-06 9 1.1697120E-04 -4.0264148E-05 -1.7707733E-05 7.6317684E-06 2.1269415E-06 10 2.0393733E-04 -7.0392036E-05 -3.1001718E-05 1.3272415E-05 3.6906244E-06 11 3.1730777E-04 -1.0969344E-04 -4.8270454E-05 2.0808089E-05 5.7993903E-06 12 5.4116394E-04 -1.8779256E-04 -8.2772399E-05 3.5432953E-05 9.8522038E-06 13 8.9796221E-04 -3.1221458E-04 -1.3749807E-04 5.9288619E-05 1.6525359E-05 14 1.5580390E-03 -5.4431990E-04 -2.4015060E-04 1.0280818E-04 2.8585656E-05 15 2.7125408E-03 -9.5021365E-04 -4.1891056E-04 1.8067690E-04 5.0361992E-05 16 4.8423481E-03 -1.7069598E-03 -7.5405791E-04 3.2289996E-04 8.9786433E-05 17 8.7234494E-03 -3.0904998E-03 -1.3646973E-03 5.8872550E-04 1.6410523E-04 18 1.5888995E-02 -5.6887767E-03 -2.5186444E-03 1.0791811E-03 3.0011955E-04 19 2.8922661E-02 -1.0489321E-02 -4.6478120E-03 2.0060480E-03 5.5921071E-04 20 5.2071566E-02 -1.9354715E-02 -8.6161844E-03 3.6966004E-03 1.0282840E-03 21 9.0830709E-02 -3.5061801E-02 -1.5680274E-02 6.7796837E-03 1.8904675E-03 22 1.4874829E-01 -6.1456285E-02 -2.7797346E-02 1.1963702E-02 3.3297632E-03 23 2.1665251E-01 -1.0005122E-01 -4.5989494E-02 2.0003759E-02 5.5840843E-03 24 2.5553612E-01 -1.4159154E-01 -6.7152337E-02 2.9145856E-02 8.1223185E-03 25 2.0856284E-01 -1.4332242E-01 -7.0735162E-02 3.1358895E-02 8.7887631E-03 26 9.1498433E-02 -2.8645247E-02 -1.3194620E-02 5.2996837E-03 1.4367605E-03 27 1.4280195E-02 2.4870103E-01 1.6683880E-01 -7.7240668E-02 -2.1752365E-02 28 8.6769632E-04 4.7845239E-01 4.1462273E-01 -2.0724404E-01 -5.9307508E-02 29 -8.6989072E-05 3.4422944E-01 3.8618335E-01 -1.9839249E-01 -5.6877855E-02 30 5.8844064E-05 8.8790648E-02 -1.0929666E-01 5.7785312E-02 1.5885292E-02 31 -1.2092627E-04 6.5547431E-03 -6.7314709E-01 5.7430038E-01 1.8359486E-01 32 6.3264248E-05 6.6429487E-04 -4.7333817E-01 5.9381588E-01 1.9753424E-01 33 -4.9144798E-05 -1.6464136E-04 -8.2919792E-02 -1.6670219E-01 -7.9460319E-02 34 4.1394982E-05 -9.3613080E-05 -9.9469984E-03 -6.5486286E-01 -2.8218507E-01 35 -2.8708286E-05 -2.3276749E-05 1.6480077E-03 -4.9807668E-01 -3.0637228E-01 36 2.1958053E-05 -1.7369703E-05 -2.4450914E-03 -1.1839150E-01 -1.4237506E-01 37 -1.6075246E-05 1.0058813E-05 1.6524301E-03 -1.3448008E-02 1.3334948E-01 38 1.1643819E-05 -8.2887330E-06 -1.2401533E-03 3.2567181E-03 3.8344652E-01 39 -8.2255245E-06 6.3641653E-06 8.9129115E-04 -2.9487757E-03 4.3819950E-01 40 5.5413474E-06 -4.2915567E-06 -6.0471149E-04 2.0407544E-03 2.5270876E-01 41 -3.4410445E-06 2.7492370E-06 3.7893266E-04 -1.3373640E-03 4.8363402E-02 42 1.8380021E-06 -1.4740232E-06 -2.0323138E-04 7.2999998E-04 2.5495739E-03 43 -7.3983448E-07 5.9662299E-07 8.2064020E-05 -2.9894204E-04 -2.6726629E-04 44 1.6318345E-07 -1.3184460E-07 -1.8140478E-05 6.6607700E-05 7.1805099E-05 *** Small-Component *** 45 -2.8145388E-06 9.6283629E-07 4.2384140E-07 -1.8044644E-07 -5.0084185E-08 46 3.2667215E-07 -1.1909031E-07 -5.5044190E-08 1.7291289E-08 4.2195918E-09 47 2.0136955E-05 -6.8607495E-06 -3.0092999E-06 1.3069405E-06 3.6518086E-07 48 2.1910673E-05 -7.5124891E-06 -3.3131428E-06 1.3961116E-06 3.8613949E-07 49 5.2246444E-05 -1.7798895E-05 -7.8056407E-06 3.3937245E-06 9.4860734E-07 50 7.2329519E-05 -2.4772289E-05 -1.0914344E-05 4.6246483E-06 1.2815249E-06 51 1.2193329E-04 -4.1555945E-05 -1.8228690E-05 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-1.7514035E+01 -1.0322938E+00 ------------ ------------ *** Large-Component *** 1 1.2602107E-07 -4.4978251E-08 2 -1.1717718E-07 4.2074679E-08 3 3.6527247E-07 -1.3098894E-07 4 -2.6576641E-08 1.1277578E-08 5 7.9520755E-07 -2.8688931E-07 6 7.1589512E-07 -2.4841635E-07 7 2.4927594E-06 -9.0067484E-07 8 4.2720712E-06 -1.4999383E-06 9 1.1090677E-05 -3.9950361E-06 10 2.4584942E-05 -8.6905287E-06 11 6.5360169E-05 -2.3454479E-05 12 1.7019141E-04 -6.0493008E-05 13 4.8468602E-04 -1.7363807E-04 14 1.3769942E-03 -4.9186797E-04 15 4.0036158E-03 -1.4378313E-03 16 1.1163197E-02 -4.0163620E-03 17 2.9066743E-02 -1.0527187E-02 18 6.8213648E-02 -2.4922967E-02 19 1.3996214E-01 -5.1756669E-02 20 2.2945244E-01 -8.3877076E-02 21 2.9413306E-01 -1.0337861E-01 22 2.6852573E-01 -7.5512338E-02 23 1.4516333E-01 4.9699466E-02 24 4.1910509E-02 2.0897995E-01 25 5.6558065E-03 2.9749681E-01 26 5.8190490E-04 2.8985677E-01 27 -2.1464791E-05 2.0986689E-01 28 5.6813467E-05 1.0986658E-01 29 -4.4972309E-05 3.7386068E-02 30 3.0585874E-05 7.0688551E-03 31 -2.3170370E-05 6.7569503E-04 32 1.5671744E-05 1.1883214E-04 33 -1.0162945E-05 -1.6642707E-05 34 5.7800262E-06 1.4044448E-05 35 -2.5783420E-06 -6.3293928E-06 36 6.6555661E-07 1.6620809E-06 *** Small-Component *** 37 2.0644791E-08 -7.8052774E-09 38 -1.1929606E-08 5.8650728E-09 39 6.8856727E-08 -2.8011796E-08 40 1.1046632E-08 2.0644671E-09 41 2.1818406E-07 -8.7111810E-08 42 2.2005646E-07 -6.4652016E-08 43 8.7968307E-07 -3.3345218E-07 44 1.5160666E-06 -5.1240473E-07 45 4.3136965E-06 -1.5779789E-06 46 9.2412178E-06 -3.2403676E-06 47 2.3636384E-05 -8.5118588E-06 48 5.4755827E-05 -1.9437159E-05 49 1.3371533E-04 -4.7932536E-05 50 3.1191986E-04 -1.1140052E-04 51 7.2587566E-04 -2.6070770E-04 52 1.5893549E-03 -5.7182128E-04 53 3.2122893E-03 -1.1634306E-03 54 5.8058806E-03 -2.1213050E-03 55 9.1332559E-03 -3.3777268E-03 56 1.1449355E-02 -4.1862259E-03 57 1.1205861E-02 -3.9395069E-03 58 7.8029623E-03 -2.1954744E-03 59 3.2138889E-03 1.1015083E-03 60 7.0510622E-04 3.5317102E-03 61 7.1035478E-05 3.8322118E-03 62 4.7680629E-06 2.8457700E-03 63 -6.3786823E-07 1.5703091E-03 64 7.9717298E-08 6.2649616E-04 65 -3.1722195E-07 1.6244973E-04 66 3.7393471E-08 2.3394464E-05 67 -8.8433511E-08 1.6940673E-06 68 1.2016933E-08 2.2306301E-07 69 -2.0516898E-08 -2.6888275E-08 70 -5.5922445E-10 1.3530936E-08 71 -1.4318306E-09 -5.2610816E-09 72 -2.6497348E-09 3.6283382E-11 3D+ 4D+ -1.7221078E+01 -9.9708569E-01 ------------ ------------ *** Large-Component *** 1 3.4022235E-08 1.1562504E-08 2 -1.5868548E-08 -3.2982219E-09 3 1.5167088E-07 4.7246607E-08 4 1.5545062E-07 6.9464494E-08 5 7.8123650E-07 2.4845801E-07 6 1.8463088E-06 7.0706376E-07 7 5.8778568E-06 1.9884668E-06 8 1.6524623E-05 6.0266977E-06 9 4.9361476E-05 1.7210632E-05 10 1.4270395E-04 5.1155936E-05 11 4.1567685E-04 1.4673026E-04 12 1.1851215E-03 4.2312073E-04 13 3.3256760E-03 1.1828966E-03 14 8.9187256E-03 3.1952310E-03 15 2.2272542E-02 7.9953499E-03 16 5.0727280E-02 1.8391932E-02 17 1.0364734E-01 3.7960089E-02 18 1.7816447E-01 6.5392020E-02 19 2.4870610E-01 8.8797135E-02 20 2.7566498E-01 9.2882314E-02 21 2.1254587E-01 3.8137403E-02 22 1.0058025E-01 -8.8754673E-02 23 2.7404652E-02 -2.1421052E-01 24 3.7690286E-03 -2.7651406E-01 25 5.0594624E-04 -2.6460973E-01 26 -2.9114085E-05 -1.9801843E-01 27 6.5545062E-05 -1.1269075E-01 28 -5.1042098E-05 -4.5573769E-02 29 3.6157630E-05 -1.1341850E-02 30 -2.8378533E-05 -1.6434876E-03 31 2.0017041E-05 -1.6773996E-04 32 -1.3944514E-05 -5.0039181E-05 33 8.8745988E-06 1.3357151E-05 34 -4.9237446E-06 -8.9798627E-06 35 2.1013321E-06 3.9512905E-06 36 -5.0885522E-07 -9.8006090E-07 *** Small-Component *** 37 6.3606681E-08 2.0872082E-08 38 -1.0934729E-08 2.4680344E-09 39 2.0931279E-07 5.9934995E-08 40 2.3258692E-07 1.0737933E-07 41 8.3136815E-07 2.5542868E-07 42 1.6948861E-06 6.5744218E-07 43 4.3360610E-06 1.4553204E-06 44 9.9135897E-06 3.6247391E-06 45 2.3752054E-05 8.2648500E-06 46 5.4801358E-05 1.9645936E-05 47 1.2666248E-04 4.4673713E-05 48 2.8526751E-04 1.0180487E-04 49 6.3010872E-04 2.2399403E-04 50 1.3261067E-03 4.7487356E-04 51 2.5925242E-03 9.3023746E-04 52 4.6144245E-03 1.6723425E-03 53 7.3595831E-03 2.6943797E-03 54 9.8641721E-03 3.6193267E-03 55 1.0728154E-02 3.8293265E-03 56 9.2615773E-03 3.1200238E-03 57 5.5606810E-03 9.9822768E-04 58 2.0486125E-03 -1.8063083E-03 59 4.3452041E-04 -3.3946260E-03 60 4.6510756E-05 -3.4112566E-03 61 4.8645430E-06 -2.5411272E-03 62 -2.2093809E-07 -1.4802738E-03 63 3.8384459E-07 -6.5574559E-04 64 -2.3296734E-07 -2.0643010E-04 65 1.2876021E-07 -3.9989488E-05 66 -7.8798619E-08 -4.5109089E-06 67 4.3405451E-08 -3.5817639E-07 68 -2.3625784E-08 -8.3337355E-08 69 1.1766686E-08 1.7369490E-08 70 -5.1190640E-09 -9.0931368E-09 71 1.7184408E-09 3.1191478E-09 72 -3.2892303E-10 -6.0357071E-10 RADIAL MOMENTS Sym Orb S+ 1 5.78922E+03 5.18586E+01 2.97057E-02 1.19409E-03 6.06111E-05 3.72131E-06 2 6.64482E+02 1.20234E+01 1.27925E-01 1.93604E-02 3.33783E-03 6.48607E-04 3 1.30197E+02 4.25008E+00 3.46463E-01 1.37352E-01 6.01249E-02 2.88307E-02 4 2.46474E+01 1.61722E+00 8.52678E-01 8.22141E-01 8.71660E-01 1.01031E+00 5 2.03449E+00 4.68591E-01 2.72481E+00 8.55025E+00 3.04506E+01 1.22407E+02 P- 1 2.13074E+02 1.19667E+01 1.08557E-01 1.44859E-02 2.29813E-03 4.23608E-04 2 4.16124E+01 4.14758E+00 3.38176E-01 1.32893E-01 5.83188E-02 2.83261E-02 3 7.46410E+00 1.49754E+00 9.08174E-01 9.42575E-01 1.08816E+00 1.39108E+00 4 3.90802E-01 3.44327E-01 3.66858E+00 1.57513E+01 7.79738E+01 4.40577E+02 P+ 1 1.70401E+02 1.11845E+01 1.13786E-01 1.57876E-02 2.59390E-03 4.94027E-04 2 3.36396E+01 3.95994E+00 3.48880E-01 1.41245E-01 6.38239E-02 3.19056E-02 3 6.08386E+00 1.44128E+00 9.36252E-01 1.00196E+00 1.19347E+00 1.57541E+00 4 3.20033E-01 3.30598E-01 3.80672E+00 1.69456E+01 8.69073E+01 5.08356E+02 D- 1 1.81079E+01 3.78993E+00 3.21204E-01 1.22477E-01 5.43881E-02 2.77092E-02 2 2.46132E+00 1.14753E+00 1.15830E+00 1.59763E+00 2.57155E+00 4.80997E+00 D+ 1 1.75502E+01 3.74090E+00 3.24672E-01 1.24990E-01 5.60008E-02 2.87743E-02 2 2.36792E+00 1.12997E+00 1.17497E+00 1.64514E+00 2.69079E+00 5.11898E+00 ********************************************************************************** ********************************************************************************** Sn [Kr]5s(2)4d(10)5p(2) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 50.0 Atomic Mass = 120.0 Nuclear Radius = 1.145040E-04 Speed of Light = 137.0359955 S+ P- P+ D- D+ Number of Closed Shells 5 3 3 2 2 Open Shells 0 1 1 0 0 Conf Weight Open Shell Occupation Numbers 1 0.06666667 0.0 2.0 0.0 0.0 0.0 0.0 0.0 2 0.53333333 0.0 1.0 1.0 0.0 0.0 0.0 0.0 3 0.40000000 0.0 0.0 2.0 0.0 0.0 0.0 0.0 ENERGIES Total Energy = -6.17612733953720E+03 Mass Energy = -6.17582295279207E+03 Kinetic Energy = 1.26794904965107E+04 Potential Energy = -1.26797948832558E+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 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-1.1836329E-08 71 1.2595700E-09 4.0363094E-09 72 -2.4185773E-10 -7.7706846E-10 RADIAL MOMENTS Sym Orb S+ 1 6.08528E+03 5.30856E+01 2.90480E-02 1.14231E-03 5.67383E-05 3.40922E-06 2 7.02897E+02 1.23337E+01 1.24921E-01 1.84656E-02 3.10929E-03 5.90036E-04 3 1.38916E+02 4.37439E+00 3.37298E-01 1.30176E-01 5.54570E-02 2.58698E-02 4 2.69622E+01 1.68210E+00 8.22035E-01 7.63512E-01 7.78619E-01 8.66465E-01 5 2.57708E+00 5.16357E-01 2.48004E+00 7.04306E+00 2.25573E+01 8.11113E+01 P- 1 2.25224E+02 1.22771E+01 1.05906E-01 1.37904E-02 2.13495E-03 3.84002E-04 2 4.44024E+01 4.27254E+00 3.28726E-01 1.25562E-01 5.35364E-02 2.52525E-02 3 8.20749E+00 1.56452E+00 8.71118E-01 8.66001E-01 9.55288E-01 1.16355E+00 4 5.58471E-01 3.99575E-01 3.17621E+00 1.17319E+01 4.96848E+01 2.39447E+02 P+ 1 1.78259E+02 1.14397E+01 1.11236E-01 1.50860E-02 2.42235E-03 4.50795E-04 2 3.55379E+01 4.07094E+00 3.39550E-01 1.33774E-01 5.87969E-02 2.85750E-02 3 6.63022E+00 1.50404E+00 8.98574E-01 9.21543E-01 1.04924E+00 1.31997E+00 4 4.50330E-01 3.82514E-01 3.30592E+00 1.27105E+01 5.60422E+01 2.81202E+02 D- 1 1.91973E+01 3.90410E+00 3.11490E-01 1.15063E-01 4.94519E-02 2.43611E-02 2 2.78979E+00 1.22522E+00 1.08116E+00 1.38146E+00 2.04053E+00 3.46961E+00 D+ 1 1.85813E+01 3.85154E+00 3.14980E-01 1.17511E-01 5.09712E-02 2.53307E-02 2 2.68529E+00 1.20717E+00 1.09571E+00 1.41947E+00 2.12719E+00 3.67199E+00 ********************************************************************************** ********************************************************************************** Sb [Kr]5s(2)4d(10)5p(3) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 51.0 Atomic Mass = 121.0 Nuclear Radius = 1.147827E-04 Speed of Light = 137.0359955 S+ P- P+ D- D+ Number of Closed Shells 5 3 3 2 2 Open Shells 0 1 1 0 0 Conf Weight Open Shell Occupation Numbers 1 0.20000000 0.0 2.0 1.0 0.0 0.0 0.0 0.0 2 0.60000000 0.0 1.0 2.0 0.0 0.0 0.0 0.0 3 0.20000000 0.0 0.0 3.0 0.0 0.0 0.0 0.0 ENERGIES Total Energy = -6.48051775569045E+03 Mass Energy = -6.48017693665551E+03 Kinetic Energy = 1.33189148434803E+04 Potential Energy = -1.33192556625153E+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+ -1.1270414E+03 -1.7495938E+02 -3.5804089E+01 -6.4898193E+00 -6.2731140E-01 ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 -2.3527037E-06 8.1090048E-07 -3.5996184E-07 -1.5856044E-07 -5.0488434E-08 2 9.2511478E-06 -3.1876211E-06 1.4150450E-06 6.2328516E-07 1.9845930E-07 3 2.4327165E-06 -8.3952303E-07 3.7042845E-07 1.6372840E-07 5.2248185E-08 4 1.9766659E-05 -6.8176225E-06 3.0292038E-06 1.3337635E-06 4.2457047E-07 5 1.6578290E-05 -5.7248057E-06 2.5335542E-06 1.1180793E-06 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63 -6.9708087E-08 3.4747944E-04 64 9.5692054E-08 7.0794820E-05 65 -3.3506932E-08 9.0598231E-06 66 2.5629756E-08 1.2909469E-06 67 -1.3125185E-08 6.4078685E-08 68 7.2258513E-09 4.9133535E-08 69 -3.6073576E-09 -2.0853576E-08 70 1.5788308E-09 9.2701670E-09 71 -5.3516164E-10 -3.1295160E-09 72 1.0386589E-10 5.9800172E-10 RADIAL MOMENTS Sym Orb S+ 1 6.39311E+03 5.43240E+01 2.84150E-02 1.09358E-03 5.31725E-05 3.12803E-06 2 7.43137E+02 1.26475E+01 1.22037E-01 1.76264E-02 2.89995E-03 5.37642E-04 3 1.48087E+02 4.49987E+00 3.28558E-01 1.23515E-01 5.12396E-02 2.32671E-02 4 2.94411E+01 1.74796E+00 7.93273E-01 7.10538E-01 6.97834E-01 7.46683E-01 5 3.14014E+00 5.60333E-01 2.29297E+00 5.99743E+00 1.76091E+01 5.78060E+01 P- 1 2.37927E+02 1.25909E+01 1.03361E-01 1.31393E-02 1.98591E-03 3.48706E-04 2 4.73340E+01 4.39864E+00 3.19738E-01 1.18785E-01 4.92408E-02 2.25710E-02 3 9.00359E+00 1.63241E+00 8.36746E-01 7.98083E-01 8.42896E-01 9.80603E-01 4 7.32555E-01 4.48177E-01 2.84567E+00 9.37663E+00 3.52698E+01 1.50537E+02 P+ 1 1.86313E+02 1.16954E+01 1.08794E-01 1.44290E-02 2.26536E-03 4.12130E-04 2 3.74958E+01 4.18232E+00 3.30686E-01 1.26865E-01 5.42747E-02 2.56617E-02 3 7.20593E+00 1.56739E+00 8.63684E-01 8.50321E-01 9.27416E-01 1.11489E+00 4 5.82654E-01 4.27979E-01 2.96887E+00 1.02130E+01 4.01422E+01 1.79163E+02 D- 1 2.03203E+01 4.01836E+00 3.02344E-01 1.08303E-01 4.50963E-02 2.15045E-02 2 3.12845E+00 1.30045E+00 1.01659E+00 1.21492E+00 1.66691E+00 2.61451E+00 D+ 1 1.96413E+01 3.96211E+00 3.05860E-01 1.10692E-01 4.65316E-02 2.23906E-02 2 3.01129E+00 1.28168E+00 1.02972E+00 1.24673E+00 1.73382E+00 2.75780E+00 ********************************************************************************** ********************************************************************************** Te [Kr]5s(2)4d(10)5p(4) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 52.0 Atomic Mass = 130.0 Nuclear Radius = 1.172242E-04 Speed of Light = 137.0359955 S+ P- P+ D- D+ Number of Closed Shells 5 3 3 2 2 Open Shells 0 1 1 0 0 Conf Weight Open Shell Occupation Numbers 1 0.40000000 0.0 2.0 2.0 0.0 0.0 0.0 0.0 2 0.53333333 0.0 1.0 3.0 0.0 0.0 0.0 0.0 3 0.06666667 0.0 0.0 4.0 0.0 0.0 0.0 0.0 ENERGIES Total Energy = -6.79369791823709E+03 Mass Energy = -6.79330345018548E+03 Kinetic Energy = 1.39781656711041E+04 Potential Energy = -1.39785601391557E+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 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*** 37 2.6146073E-08 -1.2926949E-08 38 -2.6163405E-09 1.0002337E-08 39 6.8264322E-08 -4.6528517E-08 40 7.0749851E-08 5.0736523E-09 41 2.2873987E-07 -1.4321809E-07 42 4.3958422E-07 -9.8950650E-08 43 1.0722585E-06 -5.3849169E-07 44 2.3970839E-06 -8.0119690E-07 45 5.7159911E-06 -2.5044739E-06 46 1.3431633E-05 -5.0581768E-06 47 3.2218906E-05 -1.3317760E-05 48 7.6773358E-05 -3.0106107E-05 49 1.8266758E-04 -7.4025358E-05 50 4.2821987E-04 -1.7063696E-04 51 9.7903646E-04 -3.9576866E-04 52 2.1131691E-03 -8.5192290E-04 53 4.1568517E-03 -1.6951614E-03 54 7.3235427E-03 -3.0121247E-03 55 1.0930251E-02 -4.5479011E-03 56 1.2846660E-02 -5.2207577E-03 57 1.1554637E-02 -4.4498546E-03 58 6.8241883E-03 -1.3123865E-03 59 2.2316307E-03 2.9037503E-03 60 3.6918254E-04 4.8822926E-03 61 2.0840703E-05 4.3357153E-03 62 2.2995245E-06 2.5091514E-03 63 -1.8185598E-06 9.3533843E-04 64 3.7364275E-07 2.1534189E-04 65 -5.5470297E-07 2.9366128E-05 66 1.5254201E-07 3.0387895E-06 67 -1.5523516E-07 3.2297056E-07 68 4.5705237E-08 -2.1303353E-09 69 -3.7830554E-08 3.3119206E-09 70 6.5736791E-09 -5.3455111E-09 71 -3.9874235E-09 1.1342970E-09 72 -2.2769767E-09 -1.4459222E-09 3D+ 4D+ -2.2027206E+01 -1.9325736E+00 ------------ ------------ *** Large-Component *** 1 -4.9696768E-08 -1.9674117E-08 2 2.7764276E-08 1.0546939E-08 3 -2.2855810E-07 -8.9582431E-08 4 -1.8857931E-07 -7.8185464E-08 5 -1.1541348E-06 -4.5342853E-07 6 -2.4716752E-06 -9.9562775E-07 7 -8.3708710E-06 -3.3137333E-06 8 -2.2568080E-05 -9.0274011E-06 9 -6.8731132E-05 -2.7331983E-05 10 -1.9507577E-04 -7.7917082E-05 11 -5.7029163E-04 -2.2753038E-04 12 -1.6086607E-03 -6.4384277E-04 13 -4.4876523E-03 -1.7997478E-03 14 -1.1819506E-02 -4.7613244E-03 15 -2.8931850E-02 -1.1718348E-02 16 -6.4312862E-02 -2.6322436E-02 17 -1.2646397E-01 -5.2348509E-02 18 -2.0489954E-01 -8.4216549E-02 19 -2.6931642E-01 -1.0714749E-01 20 -2.6762679E-01 -9.3069094E-02 21 -1.7214735E-01 9.7900424E-03 22 -6.5509778E-02 1.6730413E-01 23 -1.3197684E-02 2.8350119E-01 24 -1.3343189E-03 3.0685517E-01 25 -8.9412663E-05 2.3125920E-01 26 -3.4707970E-06 1.2013598E-01 27 2.3346958E-05 4.1531116E-02 28 -3.1054463E-06 9.2199476E-03 29 9.5037447E-06 1.4622782E-03 30 -4.9353445E-06 2.9878303E-04 31 4.0885236E-06 5.9633187E-06 32 -2.7731648E-06 2.1310701E-05 33 1.7748835E-06 -1.2813788E-05 34 -9.8525199E-07 7.2848029E-06 35 4.2062114E-07 -3.1611976E-06 36 -1.0188619E-07 7.7422986E-07 *** Small-Component *** 37 -9.1678889E-08 -3.6116661E-08 38 2.7911554E-08 9.7301881E-09 39 -3.1878690E-07 -1.2376050E-07 40 -2.7219843E-07 -1.1372644E-07 41 -1.2291015E-06 -4.8062379E-07 42 -2.2294431E-06 -8.9959722E-07 43 -6.1488681E-06 -2.4299236E-06 44 -1.3438766E-05 -5.3746013E-06 45 -3.2960449E-05 -1.3094998E-05 46 -7.4672689E-05 -2.9807998E-05 47 -1.7347286E-04 -6.9159967E-05 48 -3.8674327E-04 -1.5468864E-04 49 -8.4975258E-04 -3.4056930E-04 50 -1.7568185E-03 -7.0729857E-04 51 -3.3672457E-03 -1.3631011E-03 52 -5.8506168E-03 -2.3933772E-03 53 -8.9810169E-03 -3.7159408E-03 54 -1.1345364E-02 -4.6613747E-03 55 -1.1618500E-02 -4.6210117E-03 56 -8.9930646E-03 -3.1271038E-03 57 -4.5044085E-03 2.5466023E-04 58 -1.3344601E-03 3.4053969E-03 59 -2.0927970E-04 4.4928021E-03 60 -1.6467994E-05 3.7856658E-03 61 -8.5944725E-07 2.2209164E-03 62 -2.5624183E-08 8.9809474E-04 63 1.3569123E-07 2.4167346E-04 64 -1.3933494E-08 4.1764224E-05 65 3.3420321E-08 5.1550929E-06 66 -1.3480207E-08 8.2057595E-07 67 8.6883548E-09 1.2354828E-08 68 -4.5797100E-09 3.5702632E-08 69 2.2768619E-09 -1.6755702E-08 70 -9.8090892E-10 7.4359753E-09 71 3.2453322E-10 -2.5222072E-09 72 -6.0772685E-11 4.8386869E-10 RADIAL MOMENTS Sym Orb S+ 1 6.71242E+03 5.55736E+01 2.78054E-02 1.04767E-03 4.98845E-05 2.87420E-06 2 7.85204E+02 1.29648E+01 1.19264E-01 1.68383E-02 2.70788E-03 4.90676E-04 3 1.57714E+02 4.62653E+00 3.20215E-01 1.17321E-01 4.74205E-02 2.09729E-02 4 3.20831E+01 1.81459E+00 7.66299E-01 6.62661E-01 6.27580E-01 6.46623E-01 5 3.73162E+00 6.02014E-01 2.14137E+00 5.21588E+00 1.42102E+01 4.31402E+01 P- 1 2.51208E+02 1.29082E+01 1.00917E-01 1.25289E-02 1.84954E-03 3.17180E-04 2 5.04136E+01 4.52590E+00 3.11180E-01 1.12508E-01 4.53728E-02 2.02240E-02 3 9.85230E+00 1.70096E+00 8.04877E-01 7.37751E-01 7.47465E-01 8.32504E-01 4 9.16000E-01 4.93119E-01 2.59846E+00 7.79369E+00 2.65896E+01 1.02669E+02 P+ 1 1.94564E+02 1.19516E+01 1.06453E-01 1.38130E-02 2.12141E-03 3.77469E-04 2 3.95137E+01 4.29405E+00 3.22253E-01 1.20464E-01 5.01963E-02 2.31050E-02 3 7.80921E+00 1.63109E+00 8.31394E-01 7.87145E-01 8.24093E-01 9.49013E-01 4 7.19169E-01 4.69832E-01 2.71647E+00 8.52730E+00 3.04927E+01 1.23568E+02 D- 1 2.14771E+01 4.13275E+00 2.93717E-01 1.02121E-01 4.12375E-02 1.90548E-02 2 3.47808E+00 1.37384E+00 9.61178E-01 1.08182E+00 1.39050E+00 2.03214E+00 D+ 1 2.07304E+01 4.07261E+00 2.97261E-01 1.04456E-01 4.25970E-02 1.98675E-02 2 3.34674E+00 1.35417E+00 9.73273E-01 1.10928E+00 1.44432E+00 2.13903E+00 ********************************************************************************** ********************************************************************************** I [Kr]5s(2)4d(10)5p(5) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 53.0 Atomic Mass = 127.0 Nuclear Radius = 1.164232E-04 Speed of Light = 137.0359955 S+ P- P+ D- D+ Number of Closed Shells 5 3 3 2 2 Open Shells 0 1 1 0 0 Conf Weight Open Shell Occupation Numbers 1 0.66666667 0.0 2.0 3.0 0.0 0.0 0.0 0.0 2 0.33333333 0.0 1.0 4.0 0.0 0.0 0.0 0.0 ENERGIES Total Energy = -7.11579298184381E+03 Mass Energy = -7.11535970657995E+03 Kinetic Energy = 1.46577214746364E+04 Potential Energy = -1.46581547499003E+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 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2.53134E-03 4.48485E-04 3 1.67853E+02 4.75442E+00 3.12242E-01 1.11551E-01 4.39541E-02 1.89447E-02 4 3.48985E+01 1.88190E+00 7.40989E-01 6.19320E-01 5.66300E-01 5.62655E-01 5 4.35718E+00 6.42158E-01 2.01411E+00 4.60441E+00 1.17392E+01 3.32591E+01 P- 1 2.65099E+02 1.32292E+01 9.85677E-02 1.19560E-02 1.72454E-03 2.88962E-04 2 5.36495E+01 4.65435E+00 3.03021E-01 1.06685E-01 4.18813E-02 1.81639E-02 3 1.07547E+01 1.77004E+00 7.75291E-01 6.83991E-01 6.65997E-01 7.11632E-01 4 1.11033E+00 5.35726E-01 2.40231E+00 6.64538E+00 2.08477E+01 7.38497E+01 P+ 1 2.03015E+02 1.22084E+01 1.04207E-01 1.32347E-02 1.98920E-03 3.46329E-04 2 4.15923E+01 4.40614E+00 3.14221E-01 1.14523E-01 4.65092E-02 2.08544E-02 3 8.43898E+00 1.69499E+00 8.01471E-01 7.30921E-01 7.35956E-01 8.13682E-01 4 8.60760E-01 5.09325E-01 2.51612E+00 7.30078E+00 2.40710E+01 8.97755E+01 D- 1 2.26682E+01 4.24728E+00 2.85565E-01 9.64517E-02 3.78062E-02 1.69440E-02 2 3.83920E+00 1.44580E+00 9.12763E-01 9.72643E-01 1.17865E+00 1.61692E+00 D+ 1 2.18486E+01 4.18307E+00 2.89137E-01 9.87369E-02 3.90967E-02 1.76919E-02 2 3.69216E+00 1.42511E+00 9.24081E-01 9.96870E-01 1.22324E+00 1.69974E+00 ********************************************************************************** ********************************************************************************** Xe [Kr]5s(2)4d(10)5p(6) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 54.0 Atomic Mass = 132.0 Nuclear Radius = 1.177513E-04 Speed of Light = 137.0359955 S+ P- P+ D- D+ Number of Closed Shells 5 4 4 2 2 Open Shells 0 0 0 0 0 ENERGIES Total Energy = -7.44689403536526E+03 Mass Energy = -7.44640248183778E+03 Kinetic Energy = 1.53578064969323E+04 Potential Energy = -1.53582980504598E+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+ -1.2772554E+03 -2.0246481E+02 -4.3010405E+01 -8.4299087E+00 -1.0101363E+00 ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 -2.8606513E-06 9.9746335E-07 -4.4840742E-07 -2.0464039E-07 7.3033475E-08 2 1.0285482E-05 -3.5851470E-06 1.6119037E-06 7.3576227E-07 -2.6259600E-07 3 5.0745856E-06 -1.7720436E-06 7.9267927E-07 3.5974568E-07 -1.2821047E-07 4 2.2382359E-05 -7.8098112E-06 3.5156829E-06 1.6066840E-06 -5.7360093E-07 5 2.3704910E-05 -8.2848903E-06 3.7112561E-06 1.6866958E-06 -6.0133677E-07 6 5.0182585E-05 -1.7545488E-05 7.9045426E-06 3.6145617E-06 -1.2906191E-06 7 6.6913118E-05 -2.3435441E-05 1.0503680E-05 4.7752396E-06 -1.7025838E-06 8 1.1739887E-04 -4.1174291E-05 1.8562682E-05 8.4913414E-06 -3.0321917E-06 9 1.7375389E-04 -6.1066567E-05 2.7383455E-05 1.2450459E-05 -4.4392162E-06 10 2.8902924E-04 -1.0183043E-04 4.5948870E-05 2.1026865E-05 -7.5092049E-06 11 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