************************************************************************************* Rb [Kr]5s(1) TW-Mod set27 (62s62p36d36f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 37.0 Atomic Mass = 85.0 Nuclear Radius = 1.035804E-04 Speed of Light = 137.0359955 S+ P- P+ D- D+ Number of Closed Shells 4 3 3 1 1 Open Shells 1 0 0 0 0 Conf Weight Open Shell Occupation Numbers 1 1.00000000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 ENERGIES Total Energy = -2.97980493937362E+03 Mass Energy = -2.97975121973360E+03 Kinetic Energy = 6.04547480307971E+03 Potential Energy = -6.04552852271973E+03 NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 2.4700000E+08 1.0000000E+00 1.0000000E+00 2 1.6540330E+08 1.0000000E+00 1.0000000E+00 3 1.1076215E+08 1.0000000E+00 1.0000000E+00 4 7.4171765E+07 1.0000000E+00 1.0000000E+00 5 4.9669047E+07 1.0000000E+00 1.0000000E+00 6 3.3260827E+07 1.0000000E+00 1.0000000E+00 7 2.2273080E+07 1.0000000E+00 1.0000000E+00 8 1.4915145E+07 1.0000000E+00 1.0000000E+00 9 9.9879120E+06 1.0000000E+00 1.0000000E+00 10 6.6883952E+06 1.0000000E+00 1.0000000E+00 11 4.4788771E+06 1.0000000E+00 1.0000000E+00 12 2.9992755E+06 1.0000000E+00 1.0000000E+00 13 2.0084618E+06 1.0000000E+00 1.0000000E+00 14 1.3449644E+06 1.0000000E+00 1.0000000E+00 15 9.0065408E+05 1.0000000E+00 1.0000000E+00 16 6.0312210E+05 1.0000000E+00 1.0000000E+00 17 4.0388011E+05 1.0000000E+00 1.0000000E+00 18 2.7045791E+05 1.0000000E+00 1.0000000E+00 19 1.8111186E+05 1.0000000E+00 1.0000000E+00 20 1.2128138E+05 1.0000000E+00 1.0000000E+00 21 8.1215952E+04 1.0000000E+00 1.0000000E+00 22 5.4386180E+04 1.0000000E+00 1.0000000E+00 23 3.6419651E+04 1.0000000E+00 1.0000000E+00 24 2.4388382E+04 1.0000000E+00 1.0000000E+00 25 1.6331656E+04 1.0000000E+00 1.0000000E+00 26 1.0936477E+04 1.0000000E+00 1.0000000E+00 27 7.3236006E+03 1.0000000E+00 1.0000000E+00 28 4.9042418E+03 1.0000000E+00 1.0000000E+00 29 3.2841206E+03 1.0000000E+00 1.0000000E+00 30 2.1992080E+03 1.0000000E+00 1.0000000E+00 31 1.4726974E+03 1.0000000E+00 1.0000000E+00 32 9.8619035E+02 1.0000000E+00 1.0000000E+00 33 6.6040137E+02 1.0000000E+00 1.0000000E+00 34 4.4223711E+02 1.0000000E+00 1.0000000E+00 35 2.9614364E+02 1.0000000E+00 1.0000000E+00 36 1.9831229E+02 1.0000000E+00 1.0000000E+00 37 1.3279962E+02 1.0000000E+00 1.0000000E+00 38 8.8929134E+01 1.0000000E+00 1.0000000E+00 39 5.9551305E+01 1.0000000E+00 1.0000000E+00 40 3.9878471E+01 1.0000000E+00 1.0000000E+00 41 2.6704578E+01 1.0000000E+00 1.0000000E+00 42 1.7882694E+01 1.0000000E+00 1.0000000E+00 43 1.1975128E+01 1.0000000E+00 1.0000000E+00 44 8.0191323E+00 1.0000000E+00 1.0000000E+00 45 5.3700039E+00 1.0000000E+00 1.0000000E+00 46 3.5960177E+00 1.0000000E+00 1.0000000E+00 47 2.4080696E+00 1.0000000E+00 1.0000000E+00 48 1.6125614E+00 1.0000000E+00 1.0000000E+00 49 1.0798501E+00 1.0000000E+00 1.0000000E+00 50 7.2312054E-01 1.0000000E+00 1.0000000E+00 51 4.8423694E-01 1.0000000E+00 1.0000000E+00 52 3.2426878E-01 1.0000000E+00 1.0000000E+00 53 2.1714626E-01 1.0000000E+00 1.0000000E+00 54 1.4541177E-01 1.0000000E+00 1.0000000E+00 55 9.7374848E-02 1.0000000E+00 1.0000000E+00 56 6.5206969E-02 1.0000000E+00 1.0000000E+00 57 4.3665781E-02 1.0000000E+00 1.0000000E+00 58 2.9240746E-02 1.0000000E+00 1.0000000E+00 59 1.9581036E-02 1.0000000E+00 1.0000000E+00 60 1.3112421E-02 1.0000000E+00 1.0000000E+00 61 8.7807196E-03 1.0000000E+00 1.0000000E+00 62 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.6590119E+08 1.0000000E+00 1.0000000E+00 3 1.1031345E+08 1.0000000E+00 1.0000000E+00 4 7.3351237E+07 1.0000000E+00 1.0000000E+00 5 4.8773779E+07 1.0000000E+00 1.0000000E+00 6 3.2431375E+07 1.0000000E+00 1.0000000E+00 7 2.1564745E+07 1.0000000E+00 1.0000000E+00 8 1.4339146E+07 1.0000000E+00 1.0000000E+00 9 9.5345951E+06 1.0000000E+00 1.0000000E+00 10 6.3398826E+06 1.0000000E+00 1.0000000E+00 11 4.2156076E+06 1.0000000E+00 1.0000000E+00 12 2.8031036E+06 1.0000000E+00 1.0000000E+00 13 1.8638807E+06 1.0000000E+00 1.0000000E+00 14 1.2393588E+06 1.0000000E+00 1.0000000E+00 15 8.2409264E+05 1.0000000E+00 1.0000000E+00 16 5.4796775E+05 1.0000000E+00 1.0000000E+00 17 3.6436274E+05 1.0000000E+00 1.0000000E+00 18 2.4227741E+05 1.0000000E+00 1.0000000E+00 19 1.6109864E+05 1.0000000E+00 1.0000000E+00 20 1.0712007E+05 1.0000000E+00 1.0000000E+00 21 7.1227846E+04 1.0000000E+00 1.0000000E+00 22 4.7361863E+04 1.0000000E+00 1.0000000E+00 23 3.1492544E+04 1.0000000E+00 1.0000000E+00 24 2.0940483E+04 1.0000000E+00 1.0000000E+00 25 1.3924053E+04 1.0000000E+00 1.0000000E+00 26 9.2585852E+03 1.0000000E+00 1.0000000E+00 27 6.1563541E+03 1.0000000E+00 1.0000000E+00 28 4.0935732E+03 1.0000000E+00 1.0000000E+00 29 2.7219586E+03 1.0000000E+00 1.0000000E+00 30 1.8099246E+03 1.0000000E+00 1.0000000E+00 31 1.2034816E+03 1.0000000E+00 1.0000000E+00 32 8.0023660E+02 1.0000000E+00 1.0000000E+00 33 5.3210504E+02 1.0000000E+00 1.0000000E+00 34 3.5381508E+02 1.0000000E+00 1.0000000E+00 35 2.3526390E+02 1.0000000E+00 1.0000000E+00 36 1.5643512E+02 1.0000000E+00 1.0000000E+00 37 1.0401913E+02 1.0000000E+00 1.0000000E+00 38 6.9165925E+01 1.0000000E+00 1.0000000E+00 39 4.5990820E+01 1.0000000E+00 1.0000000E+00 40 3.0580890E+01 1.0000000E+00 1.0000000E+00 41 2.0334293E+01 1.0000000E+00 1.0000000E+00 42 1.3520976E+01 1.0000000E+00 1.0000000E+00 43 8.9905654E+00 1.0000000E+00 1.0000000E+00 44 5.9781384E+00 1.0000000E+00 1.0000000E+00 45 3.9750714E+00 1.0000000E+00 1.0000000E+00 46 2.6431627E+00 1.0000000E+00 1.0000000E+00 47 1.7575304E+00 1.0000000E+00 1.0000000E+00 48 1.1686429E+00 1.0000000E+00 1.0000000E+00 49 7.7707115E-01 1.0000000E+00 1.0000000E+00 50 5.1670153E-01 1.0000000E+00 1.0000000E+00 51 3.4357275E-01 1.0000000E+00 1.0000000E+00 52 2.2845342E-01 1.0000000E+00 1.0000000E+00 53 1.5190660E-01 1.0000000E+00 1.0000000E+00 54 1.0100796E-01 1.0000000E+00 1.0000000E+00 55 6.7163692E-02 1.0000000E+00 1.0000000E+00 56 4.4659466E-02 1.0000000E+00 1.0000000E+00 57 2.9695626E-02 1.0000000E+00 1.0000000E+00 58 1.9745651E-02 1.0000000E+00 1.0000000E+00 59 1.3129567E-02 1.0000000E+00 1.0000000E+00 60 8.7303042E-03 1.0000000E+00 1.0000000E+00 61 5.8050818E-03 1.0000000E+00 1.0000000E+00 62 3.8600000E-03 1.0000000E+00 1.0000000E+00 P+ 1 2.0100000E+07 1.0000000E+00 1.0000000E+00 2 1.3908851E+07 1.0000000E+00 1.0000000E+00 3 9.6246835E+06 1.0000000E+00 1.0000000E+00 4 6.6601139E+06 1.0000000E+00 1.0000000E+00 5 4.6086832E+06 1.0000000E+00 1.0000000E+00 6 3.1891288E+06 1.0000000E+00 1.0000000E+00 7 2.2068218E+06 1.0000000E+00 1.0000000E+00 8 1.5270824E+06 1.0000000E+00 1.0000000E+00 9 1.0567145E+06 1.0000000E+00 1.0000000E+00 10 7.3122808E+05 1.0000000E+00 1.0000000E+00 11 5.0599714E+05 1.0000000E+00 1.0000000E+00 12 3.5014123E+05 1.0000000E+00 1.0000000E+00 13 2.4229166E+05 1.0000000E+00 1.0000000E+00 14 1.6766162E+05 1.0000000E+00 1.0000000E+00 15 1.1601893E+05 1.0000000E+00 1.0000000E+00 16 8.0283086E+04 1.0000000E+00 1.0000000E+00 17 5.5554502E+04 1.0000000E+00 1.0000000E+00 18 3.8442751E+04 1.0000000E+00 1.0000000E+00 19 2.6601716E+04 1.0000000E+00 1.0000000E+00 20 1.8407926E+04 1.0000000E+00 1.0000000E+00 21 1.2737965E+04 1.0000000E+00 1.0000000E+00 22 8.8144508E+03 1.0000000E+00 1.0000000E+00 23 6.0994470E+03 1.0000000E+00 1.0000000E+00 24 4.2207114E+03 1.0000000E+00 1.0000000E+00 25 2.9206590E+03 1.0000000E+00 1.0000000E+00 26 2.0210454E+03 1.0000000E+00 1.0000000E+00 27 1.3985283E+03 1.0000000E+00 1.0000000E+00 28 9.6775731E+02 1.0000000E+00 1.0000000E+00 29 6.6967126E+02 1.0000000E+00 1.0000000E+00 30 4.6340089E+02 1.0000000E+00 1.0000000E+00 31 3.2066537E+02 1.0000000E+00 1.0000000E+00 32 2.2189487E+02 1.0000000E+00 1.0000000E+00 33 1.5354740E+02 1.0000000E+00 1.0000000E+00 34 1.0625213E+02 1.0000000E+00 1.0000000E+00 35 7.3524632E+01 1.0000000E+00 1.0000000E+00 36 5.0877769E+01 1.0000000E+00 1.0000000E+00 37 3.5206533E+01 1.0000000E+00 1.0000000E+00 38 2.4362310E+01 1.0000000E+00 1.0000000E+00 39 1.6858295E+01 1.0000000E+00 1.0000000E+00 40 1.1665648E+01 1.0000000E+00 1.0000000E+00 41 8.0724258E+00 1.0000000E+00 1.0000000E+00 42 5.5859785E+00 1.0000000E+00 1.0000000E+00 43 3.8654002E+00 1.0000000E+00 1.0000000E+00 44 2.6747898E+00 1.0000000E+00 1.0000000E+00 45 1.8509081E+00 1.0000000E+00 1.0000000E+00 46 1.2807963E+00 1.0000000E+00 1.0000000E+00 47 8.8628880E-01 1.0000000E+00 1.0000000E+00 48 6.1329646E-01 1.0000000E+00 1.0000000E+00 49 4.2439051E-01 1.0000000E+00 1.0000000E+00 50 2.9367086E-01 1.0000000E+00 1.0000000E+00 51 2.0321514E-01 1.0000000E+00 1.0000000E+00 52 1.4062135E-01 1.0000000E+00 1.0000000E+00 53 9.7307533E-02 1.0000000E+00 1.0000000E+00 54 6.7335124E-02 1.0000000E+00 1.0000000E+00 55 4.6594737E-02 1.0000000E+00 1.0000000E+00 56 3.2242749E-02 1.0000000E+00 1.0000000E+00 57 2.2311423E-02 1.0000000E+00 1.0000000E+00 58 1.5439117E-02 1.0000000E+00 1.0000000E+00 59 1.0683601E-02 1.0000000E+00 1.0000000E+00 60 7.3928665E-03 1.0000000E+00 1.0000000E+00 61 5.1157353E-03 1.0000000E+00 1.0000000E+00 62 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+ -5.6213261E+02 -7.7501457E+01 -1.2559925E+01 -1.5662806E+00 -1.4004420E-01 ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 -1.5958946E-06 5.1987500E-07 2.1124417E-07 -7.1442829E-08 -1.5165648E-08 2 6.0681261E-06 -1.9764186E-06 -8.0307355E-07 2.7160120E-07 5.7654397E-08 3 -7.7709763E-06 2.5304954E-06 1.0281788E-06 -3.4773670E-07 -7.3815706E-08 4 1.3886626E-05 -4.5223897E-06 -1.8375381E-06 6.2148521E-07 1.3192405E-07 5 -1.2090502E-05 3.9357155E-06 1.5990612E-06 -5.4085860E-07 -1.1480615E-07 6 2.0147865E-05 -6.5618207E-06 -2.6662089E-06 9.0181406E-07 1.9142481E-07 7 -1.2678066E-05 4.1242794E-06 1.6755079E-06 -5.6675891E-07 -1.2029916E-07 8 2.5805850E-05 -8.4074230E-06 -3.4162424E-06 1.1555070E-06 2.4527574E-07 9 -9.1659237E-06 2.9741112E-06 1.2077775E-06 -4.0852758E-07 -8.6712069E-08 10 3.3424461E-05 -1.0898336E-05 -4.4288020E-06 1.4979085E-06 3.1796600E-07 11 1.8277405E-08 -3.3867381E-08 -1.5444602E-08 5.3407078E-09 1.1325659E-09 12 4.7176208E-05 -1.5404734E-05 -6.2611906E-06 2.1176569E-06 4.4952970E-07 13 1.9589349E-05 -6.4541385E-06 -2.6268293E-06 8.8849030E-07 1.8861938E-07 14 7.5208885E-05 -2.4611400E-05 -1.0005909E-05 3.3848805E-06 7.1849205E-07 15 6.1074867E-05 -2.0092981E-05 -8.1758427E-06 2.7646863E-06 5.8696671E-07 16 1.3565540E-04 -4.4510166E-05 -1.8101993E-05 6.1248633E-06 1.3000402E-06 17 1.5198564E-04 -5.0054726E-05 -2.0369830E-05 6.8882898E-06 1.4624365E-06 18 2.7143109E-04 -8.9320465E-05 -3.6339629E-05 1.2296144E-05 2.6099850E-06 19 3.5913689E-04 -1.1851261E-04 -4.8241148E-05 1.6316241E-05 3.4638749E-06 20 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8.8410239E-08 7.7441405E-08 2P+ 3P+ 4P+ -6.7764201E+01 -9.4648858E+00 -7.9627320E-01 ------------ ------------ ------------ *** Large-Component *** 1 2.6977103E-08 1.1173045E-08 -3.3267932E-09 2 -8.7730107E-08 -3.6330548E-08 1.0818668E-08 3 1.9273770E-07 7.9809526E-08 -2.3768234E-08 4 -2.9371831E-07 -1.2159475E-07 3.6220703E-08 5 4.1316149E-07 1.7099075E-07 -5.0951093E-08 6 -4.6864904E-07 -1.9382599E-07 5.7792109E-08 7 5.7406208E-07 2.3729040E-07 -7.0794677E-08 8 -5.3886219E-07 -2.2240148E-07 6.6447381E-08 9 6.8874206E-07 2.8417367E-07 -8.4943479E-08 10 -4.8859021E-07 -2.0075326E-07 6.0236730E-08 11 8.5403485E-07 3.5180058E-07 -1.0535420E-07 12 -2.3293356E-07 -9.3647821E-08 2.8668677E-08 13 1.2996885E-06 5.3551584E-07 -1.6041320E-07 14 5.7685359E-07 2.4363641E-07 -7.1351596E-08 15 2.7013902E-06 1.1158740E-06 -3.3364367E-07 16 3.1345601E-06 1.3065988E-06 -3.8739346E-07 17 7.2605716E-06 3.0073389E-06 -8.9728612E-07 18 1.1463164E-05 4.7658514E-06 -1.4170254E-06 19 2.2394913E-05 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105 1.6653537E-05 -4.1593922E-03 1.8098346E-03 106 4.6994851E-06 -2.6306384E-03 1.2547297E-03 107 1.2826506E-06 -1.1828419E-03 3.1608092E-04 108 2.4457920E-07 -3.6467329E-04 -6.1714066E-04 109 9.1231849E-09 -7.5521009E-05 -1.2140918E-03 110 -2.1988743E-08 -1.2409220E-05 -1.4111565E-03 111 -1.0277907E-08 -2.7834189E-06 -1.2921915E-03 112 -3.0864674E-09 -6.4285022E-07 -9.6216437E-04 113 -9.0056370E-10 -1.1721245E-07 -5.6137374E-04 114 8.0398429E-10 -1.1764705E-08 -2.4243003E-04 115 -5.5906740E-10 3.7404243E-08 -7.2749064E-05 116 7.7381560E-10 -1.4159389E-08 -1.5011808E-05 117 -4.4890013E-10 2.5665701E-08 -3.0527190E-06 118 3.3160438E-10 -8.6432096E-09 -9.3416334E-07 119 -1.2397245E-10 2.7204918E-09 -2.7078813E-07 120 2.8118755E-11 3.5536106E-09 -4.9071317E-08 121 1.3720416E-11 -4.4196349E-09 -5.7190684E-09 122 -1.6856051E-11 2.8681605E-09 1.0156438E-10 123 9.6012383E-12 -1.1328101E-09 -9.3533202E-11 124 -3.0648558E-12 2.4553422E-10 1.5173824E-11 3D- -4.6758634E+00 ------------ *** Large-Component *** 1 2.3820494E-08 2 -2.1744384E-08 3 6.8253338E-08 4 -1.9559299E-09 5 1.4650017E-07 6 1.4847785E-07 7 4.5974029E-07 8 8.6096026E-07 9 2.0840276E-06 10 4.9250675E-06 11 1.2693461E-05 12 3.4602497E-05 13 9.8614997E-05 14 2.9063210E-04 15 8.6550697E-04 16 2.5715357E-03 17 7.3636115E-03 18 1.9438105E-02 19 4.6156194E-02 20 9.7791359E-02 21 1.7255015E-01 22 2.4058737E-01 23 2.6885743E-01 24 2.2994590E-01 25 1.3420681E-01 26 4.9491953E-02 27 1.0557614E-02 28 1.4495410E-03 29 1.6516082E-04 30 3.5589405E-05 31 -1.4903421E-05 32 1.0603699E-05 33 -7.2084630E-06 34 4.1523597E-06 35 -1.8736842E-06 36 4.8696876E-07 *** Small-Component *** 37 2.5963706E-09 38 4.0324454E-10 39 6.2410639E-09 40 1.0578853E-08 41 2.3567843E-08 42 5.9160690E-08 43 1.2759461E-07 44 3.2124219E-07 45 7.4529357E-07 46 1.8541543E-06 47 4.4836574E-06 48 1.1097879E-05 49 2.7054153E-05 50 6.5745053E-05 51 1.5669083E-04 52 3.6571770E-04 53 8.1286723E-04 54 1.6533803E-03 55 3.0108419E-03 56 4.8785345E-03 57 6.5731774E-03 58 6.9923206E-03 59 5.9584699E-03 60 3.8847411E-03 61 1.7278251E-03 62 4.8528646E-04 63 7.8646899E-05 64 8.0827044E-06 65 6.2457952E-07 66 6.9882531E-08 67 -6.0765588E-08 68 6.8913574E-09 69 -1.5009909E-08 70 -5.9127041E-10 71 -1.0623119E-09 72 -2.0123386E-09 3D+ -4.6158322E+00 ------------ *** Large-Component *** 1 5.7805669E-09 2 -1.9791729E-09 3 2.5592699E-08 4 3.3326467E-08 5 1.4008694E-07 6 3.6954075E-07 7 1.1240500E-06 8 3.3201930E-06 9 9.8707327E-06 10 2.9395448E-05 11 8.6702025E-05 12 2.5360632E-04 13 7.2956130E-04 14 2.0591482E-03 15 5.5880081E-03 16 1.4125342E-02 17 3.2493653E-02 18 6.8032509E-02 19 1.2503312E-01 20 1.8996802E-01 21 2.3710400E-01 22 2.4489100E-01 23 1.9589837E-01 24 1.1116169E-01 25 4.2383926E-02 26 1.0078444E-02 27 1.6252841E-03 28 2.3456359E-04 29 4.7451599E-05 30 -1.0441547E-05 31 8.8696689E-06 32 -6.5644126E-06 33 4.2088358E-06 34 -2.3738019E-06 35 1.0226419E-06 36 -2.4915476E-07 *** Small-Component *** 37 1.2178821E-08 38 -5.7524412E-10 39 3.8102043E-08 40 5.2679400E-08 41 1.5678005E-07 42 3.5497905E-07 43 8.5590488E-07 44 2.0438557E-06 45 4.8346550E-06 46 1.1436160E-05 47 2.6646763E-05 48 6.1387633E-05 49 1.3867741E-04 50 3.0670423E-04 51 6.5101582E-04 52 1.2852647E-03 53 2.3065976E-03 54 3.7651003E-03 55 5.3918614E-03 56 6.3803288E-03 57 6.2005446E-03 58 4.9859061E-03 59 3.1049496E-03 60 1.3715347E-03 61 4.0706852E-04 62 7.5347208E-05 63 9.4582021E-06 64 1.0624465E-06 65 1.6736217E-07 66 -2.8694791E-08 67 1.8975452E-08 68 -1.0934476E-08 69 5.4595261E-09 70 -2.3982257E-09 71 8.0492731E-10 72 -1.5288078E-10 RADIAL MOMENTS Sym Orb

S+ 1 2.99518E+03 3.78807E+01 4.02780E-02 2.18602E-03 1.49503E-04 1.23547E-05 2 3.17541E+02 8.53080E+00 1.77060E-01 3.70334E-02 8.83518E-03 2.38067E-03 3 5.37670E+01 2.83436E+00 5.07245E-01 2.95255E-01 1.91112E-01 1.36586E-01 4 6.47777E+00 8.97323E-01 1.47276E+00 2.46971E+00 4.62135E+00 9.60359E+00 5 3.26873E-01 2.21906E-01 5.54499E+00 3.51098E+01 2.50091E+02 1.98766E+03 P- 1 1.02464E+02 8.46604E+00 1.52311E-01 2.84773E-02 6.33455E-03 1.64018E-03 2 1.70025E+01 2.71563E+00 5.09465E-01 3.02961E-01 2.03183E-01 1.52441E-01 3 1.78007E+00 7.69574E-01 1.70349E+00 3.35503E+00 7.50255E+00 1.89592E+01 P+ 1 9.08349E+01 8.15866E+00 1.56341E-01 2.98780E-02 6.77949E-03 1.78866E-03 2 1.51567E+01 2.64488E+00 5.19245E-01 3.14517E-01 2.14823E-01 1.64136E-01 3 1.59483E+00 7.51661E-01 1.73915E+00 3.49823E+00 7.99428E+00 2.06587E+01 D- 1 7.45902E+00 2.40188E+00 5.20782E-01 3.30826E-01 2.51222E-01 2.24308E-01 D+ 1 7.32447E+00 2.38297E+00 5.24441E-01 3.35363E-01 2.56311E-01 2.30303E-01 ************************************************************************************* ************************************************************************************* Sr [Kr]5s(2) TW-Mod set27 (62s62p36d36f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 38.0 Atomic Mass = 88.0 Nuclear Radius = 1.046232E-04 Speed of Light = 137.0359955 S+ P- P+ D- D+ Number of Closed Shells 5 3 3 1 1 Open Shells 0 0 0 0 0 ENERGIES Total Energy = -3.17807987884186E+03 Mass Energy = -3.17801749057235E+03 Kinetic Energy = 6.45275262154007E+03 Potential Energy = -6.45281500980959E+03 NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 2.4700000E+08 1.0000000E+00 1.0000000E+00 2 1.6540330E+08 1.0000000E+00 1.0000000E+00 3 1.1076215E+08 1.0000000E+00 1.0000000E+00 4 7.4171765E+07 1.0000000E+00 1.0000000E+00 5 4.9669047E+07 1.0000000E+00 1.0000000E+00 6 3.3260827E+07 1.0000000E+00 1.0000000E+00 7 2.2273080E+07 1.0000000E+00 1.0000000E+00 8 1.4915145E+07 1.0000000E+00 1.0000000E+00 9 9.9879120E+06 1.0000000E+00 1.0000000E+00 10 6.6883952E+06 1.0000000E+00 1.0000000E+00 11 4.4788771E+06 1.0000000E+00 1.0000000E+00 12 2.9992755E+06 1.0000000E+00 1.0000000E+00 13 2.0084618E+06 1.0000000E+00 1.0000000E+00 14 1.3449644E+06 1.0000000E+00 1.0000000E+00 15 9.0065408E+05 1.0000000E+00 1.0000000E+00 16 6.0312210E+05 1.0000000E+00 1.0000000E+00 17 4.0388011E+05 1.0000000E+00 1.0000000E+00 18 2.7045791E+05 1.0000000E+00 1.0000000E+00 19 1.8111186E+05 1.0000000E+00 1.0000000E+00 20 1.2128138E+05 1.0000000E+00 1.0000000E+00 21 8.1215952E+04 1.0000000E+00 1.0000000E+00 22 5.4386180E+04 1.0000000E+00 1.0000000E+00 23 3.6419651E+04 1.0000000E+00 1.0000000E+00 24 2.4388382E+04 1.0000000E+00 1.0000000E+00 25 1.6331656E+04 1.0000000E+00 1.0000000E+00 26 1.0936477E+04 1.0000000E+00 1.0000000E+00 27 7.3236006E+03 1.0000000E+00 1.0000000E+00 28 4.9042418E+03 1.0000000E+00 1.0000000E+00 29 3.2841206E+03 1.0000000E+00 1.0000000E+00 30 2.1992080E+03 1.0000000E+00 1.0000000E+00 31 1.4726974E+03 1.0000000E+00 1.0000000E+00 32 9.8619035E+02 1.0000000E+00 1.0000000E+00 33 6.6040137E+02 1.0000000E+00 1.0000000E+00 34 4.4223711E+02 1.0000000E+00 1.0000000E+00 35 2.9614364E+02 1.0000000E+00 1.0000000E+00 36 1.9831229E+02 1.0000000E+00 1.0000000E+00 37 1.3279962E+02 1.0000000E+00 1.0000000E+00 38 8.8929134E+01 1.0000000E+00 1.0000000E+00 39 5.9551305E+01 1.0000000E+00 1.0000000E+00 40 3.9878471E+01 1.0000000E+00 1.0000000E+00 41 2.6704578E+01 1.0000000E+00 1.0000000E+00 42 1.7882694E+01 1.0000000E+00 1.0000000E+00 43 1.1975128E+01 1.0000000E+00 1.0000000E+00 44 8.0191323E+00 1.0000000E+00 1.0000000E+00 45 5.3700039E+00 1.0000000E+00 1.0000000E+00 46 3.5960177E+00 1.0000000E+00 1.0000000E+00 47 2.4080696E+00 1.0000000E+00 1.0000000E+00 48 1.6125614E+00 1.0000000E+00 1.0000000E+00 49 1.0798501E+00 1.0000000E+00 1.0000000E+00 50 7.2312054E-01 1.0000000E+00 1.0000000E+00 51 4.8423694E-01 1.0000000E+00 1.0000000E+00 52 3.2426878E-01 1.0000000E+00 1.0000000E+00 53 2.1714626E-01 1.0000000E+00 1.0000000E+00 54 1.4541177E-01 1.0000000E+00 1.0000000E+00 55 9.7374848E-02 1.0000000E+00 1.0000000E+00 56 6.5206969E-02 1.0000000E+00 1.0000000E+00 57 4.3665781E-02 1.0000000E+00 1.0000000E+00 58 2.9240746E-02 1.0000000E+00 1.0000000E+00 59 1.9581036E-02 1.0000000E+00 1.0000000E+00 60 1.3112421E-02 1.0000000E+00 1.0000000E+00 61 8.7807196E-03 1.0000000E+00 1.0000000E+00 62 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.6590119E+08 1.0000000E+00 1.0000000E+00 3 1.1031345E+08 1.0000000E+00 1.0000000E+00 4 7.3351237E+07 1.0000000E+00 1.0000000E+00 5 4.8773779E+07 1.0000000E+00 1.0000000E+00 6 3.2431375E+07 1.0000000E+00 1.0000000E+00 7 2.1564745E+07 1.0000000E+00 1.0000000E+00 8 1.4339146E+07 1.0000000E+00 1.0000000E+00 9 9.5345951E+06 1.0000000E+00 1.0000000E+00 10 6.3398826E+06 1.0000000E+00 1.0000000E+00 11 4.2156076E+06 1.0000000E+00 1.0000000E+00 12 2.8031036E+06 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S+ 1 3.18148E+03 3.89996E+01 3.91477E-02 2.06561E-03 1.37357E-04 1.10372E-05 2 3.39701E+02 8.80763E+00 1.71729E-01 3.48393E-02 8.06067E-03 2.10589E-03 3 5.84824E+01 2.94793E+00 4.88702E-01 2.73924E-01 1.70571E-01 1.17148E-01 4 7.75270E+00 9.71654E-01 1.36594E+00 2.11518E+00 3.63204E+00 6.87880E+00 5 5.66515E-01 2.73718E-01 4.56400E+00 2.37974E+01 1.39625E+02 9.15774E+02 P- 1 1.09585E+02 8.74393E+00 1.47527E-01 2.67161E-02 5.75520E-03 1.44280E-03 2 1.85275E+01 2.83104E+00 4.89148E-01 2.79044E-01 1.79267E-01 1.28627E-01 3 2.19359E+00 8.48877E-01 1.54901E+00 2.75674E+00 5.52647E+00 1.24286E+01 P+ 1 9.64533E+01 8.40834E+00 1.51655E-01 2.81061E-02 6.18283E-03 1.58098E-03 2 1.64062E+01 2.75357E+00 4.98945E-01 2.90142E-01 1.89967E-01 1.38899E-01 3 1.95654E+00 8.29207E-01 1.58062E+00 2.87106E+00 5.87736E+00 1.35060E+01 D- 1 8.17945E+00 2.52000E+00 4.94309E-01 2.96766E-01 2.12063E-01 1.77402E-01 D+ 1 8.02526E+00 2.49940E+00 4.97874E-01 3.00924E-01 2.16432E-01 1.82207E-01 *************************************************************************************