************************************************************************************************* In [Kr]5s(2)4d(10)5p(1) TW-Mod set27 (62s62p36d36f) 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 = -5.88043095256408E+03 Mass Energy = -5.88016441038590E+03 Kinetic Energy = 1.20596260055236E+04 Potential Energy = -1.20598925477018E+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 1.6540330E+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+ -1.0327696E+03 -1.5793507E+02 -3.1405507E+01 -5.3088474E+00 -3.9653248E-01 ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 -2.6369740E-06 9.0129728E-07 3.9619297E-07 -1.7012638E-07 4.7356395E-08 2 5.6285141E-06 -1.9220989E-06 -8.4481382E-07 3.6274707E-07 -1.0097265E-07 3 4.3872269E-06 -1.5053900E-06 -6.6210022E-07 2.8438864E-07 -7.9170445E-08 4 -3.0571641E-06 1.0527563E-06 4.6324588E-07 -1.9906400E-07 5.5426999E-08 5 2.3233839E-05 -7.9580281E-06 -3.4992206E-06 1.5028711E-06 -4.1837062E-07 6 -1.1035256E-05 3.7820992E-06 1.6631358E-06 -7.1451868E-07 1.9893658E-07 7 4.1496525E-05 -1.4214951E-05 -6.2505306E-06 2.6846580E-06 -7.4737430E-07 8 -8.3736736E-06 2.8619520E-06 1.2579481E-06 -5.4082950E-07 1.5063212E-07 9 6.0334924E-05 -2.0682718E-05 -9.0953765E-06 3.9068967E-06 -1.0876689E-06 10 7.9477523E-06 -2.7569851E-06 -1.2146494E-06 5.2049868E-07 -1.4472869E-07 11 8.8355532E-05 -3.0333473E-05 -1.3342147E-05 5.7317795E-06 -1.5957793E-06 12 4.4461822E-05 -1.5354510E-05 -6.7597815E-06 2.9010443E-06 -8.0725823E-07 13 1.4038022E-04 -4.8313872E-05 -2.1258228E-05 9.1338001E-06 -2.5430402E-06 14 1.1874256E-04 -4.1067104E-05 -1.8083126E-05 7.7627333E-06 -2.1603512E-06 15 2.4541102E-04 -8.4753832E-05 -3.7310096E-05 1.6032972E-05 -4.4640748E-06 16 2.7211733E-04 -9.4376695E-05 -4.1573134E-05 1.7849484E-05 -4.9677530E-06 17 4.6711784E-04 -1.6201120E-04 -7.1363161E-05 3.0670747E-05 -8.5399275E-06 18 6.0058064E-04 -2.0908509E-04 -9.2151106E-05 3.9571024E-05 -1.1013589E-05 19 9.5311670E-04 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-8.9257399E-08 1.7007135E-06 68 1.2448285E-08 2.1926978E-07 69 -2.0726595E-08 -2.4905579E-08 70 -4.6965614E-10 1.2631168E-08 71 -1.4616808E-09 -4.9459936E-09 72 -2.6440739E-09 -2.6956383E-11 3D+ 4D+ -1.7221078E+01 -9.9708568E-01 ------------ ------------ *** Large-Component *** 1 3.4020808E-08 1.1558527E-08 2 -1.5861828E-08 -3.2793377E-09 3 1.5165220E-07 4.7193747E-08 4 1.5549193E-07 6.9581827E-08 5 7.8115478E-07 2.4822605E-07 6 1.8464621E-06 7.0749561E-07 7 5.8775750E-06 1.9876870E-06 8 1.6525141E-05 6.0280847E-06 9 4.9360508E-05 1.7208178E-05 10 1.4270581E-04 5.1160269E-05 11 4.1567319E-04 1.4672257E-04 12 1.1851290E-03 4.2313436E-04 13 3.3256607E-03 1.1828723E-03 14 8.9187566E-03 3.1952738E-03 15 2.2272481E-02 7.9952752E-03 16 5.0727390E-02 1.8392056E-02 17 1.0364716E-01 3.7959892E-02 18 1.7816475E-01 6.5392295E-02 19 2.4870572E-01 8.8796811E-02 20 2.7566548E-01 9.2882545E-02 21 2.1254530E-01 3.8137520E-02 22 1.0058085E-01 -8.8755482E-02 23 2.7404009E-02 -2.1420861E-01 24 3.7696865E-03 -2.7651727E-01 25 5.0531960E-04 -2.6460562E-01 26 -2.8557114E-05 -1.9802276E-01 27 6.5077350E-05 -1.1268672E-01 28 -5.0666232E-05 -4.5577288E-02 29 3.5866208E-05 -1.1338882E-02 30 -2.8159874E-05 -1.6459119E-03 31 1.9858624E-05 -1.6583484E-04 32 -1.3835716E-05 -5.1445950E-05 33 8.8066481E-06 1.4296168E-05 34 -4.8872030E-06 -9.5150347E-06 35 2.0860145E-06 4.1844757E-06 36 -5.0521035E-07 -1.0371875E-06 *** Small-Component *** 37 6.3602385E-08 2.0858670E-08 38 -1.0918315E-08 2.5195036E-09 39 2.0927607E-07 5.9819741E-08 40 2.3265179E-07 1.0758245E-07 41 8.3126628E-07 2.5511158E-07 42 1.6950369E-06 6.5790651E-07 43 4.3358433E-06 1.4546630E-06 44 9.9139028E-06 3.6256539E-06 45 2.3751597E-05 8.2635863E-06 46 5.4802040E-05 1.9647677E-05 47 1.2666142E-04 4.4671308E-05 48 2.8526919E-04 1.0180820E-04 49 6.3010600E-04 2.2398941E-04 50 1.3261111E-03 4.7487991E-04 51 2.5925175E-03 9.3022881E-04 52 4.6144341E-03 1.6723537E-03 53 7.3595706E-03 2.6943658E-03 54 9.8641870E-03 3.6193418E-03 55 1.0728138E-02 3.8293126E-03 56 9.2615938E-03 3.1200315E-03 57 5.5606663E-03 9.9823072E-04 58 2.0486247E-03 -1.8063247E-03 59 4.3451032E-04 -3.3945957E-03 60 4.6518791E-05 -3.4112961E-03 61 4.8585866E-06 -2.5410877E-03 62 -2.1682012E-07 -1.4803061E-03 63 3.8115665E-07 -6.5572216E-04 64 -2.3128967E-07 -2.0644602E-04 65 1.2775111E-07 -3.9979040E-05 66 -7.8211812E-08 -4.5175514E-06 67 4.3076221E-08 -3.5411395E-07 68 -2.3450804E-08 -8.5671725E-08 69 1.1682046E-08 1.8581981E-08 70 -5.0838623E-09 -9.6307695E-09 71 1.7070780E-09 3.3013500E-09 72 -3.2687949E-10 -6.3826340E-10 RADIAL MOMENTS Sym Orb

S+ 1 5.78922E+03 5.18586E+01 2.97057E-02 1.19409E-03 6.06111E-05 3.72126E-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 6.01248E-02 2.88302E-02 4 2.46474E+01 1.61722E+00 8.52678E-01 8.22141E-01 8.71659E-01 1.01030E+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 4.23612E-04 2 4.16124E+01 4.14758E+00 3.38176E-01 1.32893E-01 5.83188E-02 2.83249E-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 7.79739E+01 4.40578E+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 8.69072E+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 set27 (62s62p36d36f) 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 = -6.17612734096613E+03 Mass Energy = -6.17582294758755E+03 Kinetic Energy = 1.26794904849413E+04 Potential Energy = -1.26797948783199E+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 1.6540330E+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 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-2.0053366E-10 -4.1309875E-10 3.1549598E-09 123 -7.8616831E-11 1.1205506E-10 1.7419355E-10 8.5664846E-10 124 1.7136459E-11 -3.4438273E-11 -4.3105740E-11 -5.9740142E-10 3D- 4D- -1.9087628E+01 -1.3362531E+00 ------------ ------------ *** Large-Component *** 1 1.4138987E-07 -5.2795756E-08 2 -1.3106345E-07 4.9595277E-08 3 4.0869478E-07 -1.5420726E-07 4 -2.7040045E-08 1.4731901E-08 5 8.8650406E-07 -3.3892592E-07 6 8.1365093E-07 -2.8545240E-07 7 2.7751413E-06 -1.0643182E-06 8 4.8257420E-06 -1.7372229E-06 9 1.2358179E-05 -4.7062339E-06 10 2.7648819E-05 -1.0097732E-05 11 7.2870351E-05 -2.7498529E-05 12 1.9048027E-04 -7.0334186E-05 13 5.3959382E-04 -2.0251675E-04 14 1.5333188E-03 -5.7077829E-04 15 4.4365572E-03 -1.6665048E-03 16 1.2306662E-02 -4.6218168E-03 17 3.1763897E-02 -1.2031857E-02 18 7.3910657E-02 -2.8233566E-02 19 1.4913109E-01 -5.7678615E-02 20 2.3913317E-01 -9.1027272E-02 21 2.9854401E-01 -1.0898011E-01 22 2.5863121E-01 -6.8418175E-02 23 1.2942415E-01 7.5666108E-02 24 3.4136157E-02 2.3732589E-01 25 3.9375202E-03 3.1478910E-01 26 4.8430986E-04 2.8600273E-01 27 -1.0232425E-04 1.8374404E-01 28 9.0317653E-05 7.9609482E-02 29 -7.6437636E-05 2.0901408E-02 30 5.1712945E-05 3.0936168E-03 31 -3.8715678E-05 3.6337522E-04 32 2.6322671E-05 5.5218128E-05 33 -1.7000664E-05 -5.2916146E-06 34 9.6677461E-06 4.6163487E-06 35 -4.3104893E-06 -2.1311011E-06 36 1.1122629E-06 5.6129424E-07 *** Small-Component *** 37 2.2729978E-08 -9.6165302E-09 38 -1.0747659E-08 8.1744785E-09 39 7.2140020E-08 -3.5825865E-08 40 2.2947966E-08 6.9945911E-09 41 2.3075442E-07 -1.1005033E-07 42 2.7225394E-07 -6.5618508E-08 43 9.5796509E-07 -4.0791807E-07 44 1.7539563E-06 -5.8003224E-07 45 4.7796011E-06 -1.8822955E-06 46 1.0457557E-05 -3.7499332E-06 47 2.6332010E-05 -1.0012529E-05 48 6.1366764E-05 -2.2589535E-05 49 1.4886550E-04 -5.5943395E-05 50 3.4742667E-04 -1.2927448E-04 51 8.0443918E-04 -3.0222668E-04 52 1.7523936E-03 -6.5808804E-04 53 3.5106424E-03 -1.3298489E-03 54 6.2910711E-03 -2.4031953E-03 55 9.7318783E-03 -3.7644087E-03 56 1.1932625E-02 -4.5432592E-03 57 1.1373920E-02 -4.1531102E-03 58 7.5149751E-03 -1.9893901E-03 59 2.8646210E-03 1.6771234E-03 60 5.7359035E-04 4.0107764E-03 61 4.8855012E-05 4.0549661E-03 62 3.7966735E-06 2.8079231E-03 63 -1.2532962E-06 1.3748241E-03 64 2.6825391E-07 4.5393527E-04 65 -4.5714464E-07 9.0798041E-05 66 1.0706990E-07 1.0225435E-05 67 -1.2871335E-07 9.0473998E-07 68 3.2559529E-08 1.0035449E-07 69 -3.0865058E-08 -1.0454761E-08 70 3.7977414E-09 2.8700986E-09 71 -2.9546956E-09 -1.6879041E-09 72 -2.3949842E-09 -7.4653286E-10 3D+ 4D+ -1.8761794E+01 -1.2943048E+00 ------------ ------------ *** Large-Component *** 1 3.8847091E-08 1.3900190E-08 2 -1.9928403E-08 -5.0832015E-09 3 1.7625873E-07 5.8865463E-08 4 1.6256487E-07 7.4412909E-08 5 9.0030800E-07 3.0547155E-07 6 2.0257842E-06 8.0250402E-07 7 6.6570309E-06 2.3728586E-06 8 1.8335345E-05 6.9611023E-06 9 5.5345571E-05 2.0227541E-05 10 1.5864890E-04 5.9363307E-05 11 4.6333664E-04 1.7115704E-04 12 1.3152273E-03 4.9070935E-04 13 3.6858842E-03 1.3715321E-03 14 9.8233122E-03 3.6803363E-03 15 2.4371561E-02 9.1560107E-03 16 5.5054150E-02 2.0898976E-02 17 1.1113679E-01 4.2632373E-02 18 1.8725711E-01 7.1797208E-02 19 2.5623863E-01 9.5361557E-02 20 2.7460128E-01 9.4886661E-02 21 1.9949616E-01 2.4811235E-02 22 8.7714295E-02 -1.1483018E-01 23 2.1746380E-02 -2.3909369E-01 24 2.6557586E-03 -2.9107712E-01 25 3.4603603E-04 -2.6065898E-01 26 -3.5712805E-05 -1.7450602E-01 27 4.2255020E-05 -8.3739418E-02 28 -3.9734645E-05 -2.6864819E-02 29 2.5077835E-05 -5.1139017E-03 30 -2.0727267E-05 -7.9096212E-04 31 1.4314602E-05 -7.4952847E-05 32 -9.9900091E-06 -4.4069723E-05 33 6.3531550E-06 2.0467423E-05 34 -3.5227130E-06 -1.2040382E-05 35 1.5030308E-06 5.2610765E-06 36 -3.6396915E-07 -1.2941942E-06 *** Small-Component *** 37 7.2502192E-08 2.5205509E-08 38 -1.7411932E-08 -1.8708285E-10 39 2.4561451E-07 7.6911587E-08 40 2.3955149E-07 1.1336065E-07 41 9.6078003E-07 3.1717134E-07 42 1.8465173E-06 7.4001520E-07 43 4.9066789E-06 1.7372176E-06 44 1.0969468E-05 4.1734517E-06 45 2.6604153E-05 9.7052229E-06 46 6.0855236E-05 2.2769245E-05 47 1.4110458E-04 5.2080641E-05 48 3.1644963E-04 1.1801021E-04 49 6.9821413E-04 2.5965276E-04 50 1.4604336E-03 5.4688466E-04 51 2.8367195E-03 1.0651945E-03 52 5.0080938E-03 1.9002745E-03 53 7.8917604E-03 3.0260885E-03 54 1.0367900E-02 3.9738884E-03 55 1.1053435E-02 4.1124854E-03 56 9.2263376E-03 3.1875734E-03 57 5.2195246E-03 6.4990440E-04 58 1.7866260E-03 -2.3371385E-03 59 3.4481802E-04 -3.7889861E-03 60 3.2771940E-05 -3.5909409E-03 61 3.3282547E-06 -2.5032071E-03 62 -2.7009301E-07 -1.3045205E-03 63 2.4814630E-07 -4.8728161E-04 64 -1.8162861E-07 -1.2168777E-04 65 8.9605302E-08 -1.8030436E-05 66 -5.7736188E-08 -2.1712684E-06 67 3.1178614E-08 -1.5982909E-07 68 -1.7019415E-08 -7.3491875E-08 69 8.4833285E-09 2.6626077E-08 70 -3.6962969E-09 -1.2206874E-08 71 1.2442503E-09 4.1598061E-09 72 -2.3920609E-10 -7.9882225E-10 RADIAL MOMENTS Sym Orb

S+ 1 6.08529E+03 5.30856E+01 2.90480E-02 1.14231E-03 5.67383E-05 3.40918E-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 2.58697E-02 4 2.69622E+01 1.68210E+00 8.22035E-01 7.63512E-01 7.78618E-01 8.66456E-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 3.84006E-04 2 4.44024E+01 4.27254E+00 3.28726E-01 1.25562E-01 5.35364E-02 2.52513E-02 3 8.20749E+00 1.56452E+00 8.71118E-01 8.66001E-01 9.55288E-01 1.16354E+00 4 5.58471E-01 3.99575E-01 3.17621E+00 1.17319E+01 4.96849E+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 set27 (62s62p36d36f) 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 = -6.48051775719439E+03 Mass Energy = -6.48017692704044E+03 Kinetic Energy = 1.33189148225420E+04 Potential Energy = -1.33192556526959E+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 1.6540330E+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 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-1.0789331E-02 -4.2014776E-03 15 -2.6591112E-02 -1.0395944E-02 16 -5.9583046E-02 -2.3540534E-02 17 -1.1875387E-01 -4.7433298E-02 18 -1.9617271E-01 -7.8072266E-02 19 -2.6313879E-01 -1.0149197E-01 20 -2.7190624E-01 -9.4999809E-02 21 -1.8592272E-01 -8.7010303E-03 22 -7.6029833E-02 1.4117346E-01 23 -1.7055395E-02 2.6220691E-01 24 -1.8721588E-03 3.0149889E-01 25 -2.0866892E-04 2.4924044E-01 26 2.2299778E-05 1.4727995E-01 27 -1.1104038E-05 5.9712609E-02 28 2.0398844E-05 1.5630099E-02 29 -8.9118666E-06 2.5689226E-03 30 8.8611601E-06 4.7075685E-04 31 -5.7638406E-06 2.9743994E-05 32 4.0501135E-06 2.9694041E-05 33 -2.5689602E-06 -1.6200254E-05 34 1.4221214E-06 9.2650471E-06 35 -6.0598948E-07 -4.0247628E-06 36 1.4659168E-07 9.8708379E-07 *** Small-Component *** 37 -8.1953383E-08 -3.0334447E-08 38 2.3487761E-08 4.4767165E-09 39 -2.8299507E-07 -9.8655058E-08 40 -2.5104603E-07 -1.1454663E-07 41 -1.0957495E-06 -3.9348353E-07 42 -2.0205433E-06 -8.1841929E-07 43 -5.5153491E-06 -2.0642498E-06 44 -1.2135034E-05 -4.7511796E-06 45 -2.9679085E-05 -1.1317113E-05 46 -6.7454779E-05 -2.6141046E-05 47 -1.5670498E-04 -6.0235223E-05 48 -3.5020538E-04 -1.3558733E-04 49 -7.7139317E-04 -2.9846267E-04 50 -1.6038691E-03 -6.2422774E-04 51 -3.0949340E-03 -1.2093586E-03 52 -5.4201885E-03 -2.1404414E-03 53 -8.4330594E-03 -3.3669488E-03 54 -1.0861846E-02 -4.3212494E-03 55 -1.1351511E-02 -4.3769649E-03 56 -9.1363133E-03 -3.1916448E-03 57 -4.8646279E-03 -2.2876249E-04 58 -1.5486902E-03 2.8734290E-03 59 -2.7044572E-04 4.1553022E-03 60 -2.3102828E-05 3.7195447E-03 61 -2.0073945E-06 2.3935742E-03 62 1.6881277E-07 1.1010028E-03 63 -6.6106232E-08 3.4747123E-04 64 9.3489578E-08 7.0799605E-05 65 -3.2203394E-08 9.0570109E-06 66 2.4880907E-08 1.2925564E-06 67 -1.2708800E-08 6.3167708E-08 68 7.0046098E-09 4.9638508E-08 69 -3.4979117E-09 -2.1136080E-08 70 1.5308139E-09 9.4294425E-09 71 -5.1901128E-10 -3.1986108E-09 72 1.0088653E-10 6.1353078E-10 RADIAL MOMENTS Sym Orb

S+ 1 6.39312E+03 5.43240E+01 2.84150E-02 1.09358E-03 5.31725E-05 3.12799E-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 6.97833E-01 7.46676E-01 5 3.14013E+00 5.60332E-01 2.29297E+00 5.99744E+00 1.76091E+01 5.78060E+01 P- 1 2.37927E+02 1.25909E+01 1.03361E-01 1.31393E-02 1.98591E-03 3.48710E-04 2 4.73340E+01 4.39864E+00 3.19738E-01 1.18785E-01 4.92408E-02 2.25700E-02 3 9.00359E+00 1.63241E+00 8.36746E-01 7.98082E-01 8.42895E-01 9.80594E-01 4 7.32555E-01 4.48177E-01 2.84567E+00 9.37663E+00 3.52698E+01 1.50536E+02 P+ 1 1.86313E+02 1.16954E+01 1.08794E-01 1.44290E-02 2.26536E-03 4.12129E-04 2 3.74958E+01 4.18232E+00 3.30686E-01 1.26865E-01 5.42747E-02 2.56616E-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 2.96886E+00 1.02130E+01 4.01421E+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 set27 (62s62p36d36f) 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 = -6.79369792006396E+03 Mass Energy = -6.79330344514791E+03 Kinetic Energy = 1.39781656607885E+04 Potential Energy = -1.39785601357046E+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 1.6540330E+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+ -1.1759255E+03 -1.8386207E+02 -3.8124353E+01 -7.1136317E+00 -7.4932397E-01 ------------ ------------ ------------ ------------ ------------ *** Large-Component 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-3.5220681E-03 -1.4163856E-03 108 -1.2166138E-07 5.5195227E-06 -2.2150013E-03 -1.0269598E-03 109 -7.9284253E-08 1.1021189E-06 -9.6488766E-04 -3.8950348E-04 110 5.4774538E-09 3.4155200E-07 -2.8569288E-04 2.5723792E-04 111 -1.5889207E-08 -1.2252571E-07 -5.9258613E-05 6.9963301E-04 112 1.1607815E-08 1.1182662E-08 -1.1635534E-05 8.7866641E-04 113 -6.7868093E-09 -7.7891017E-08 -3.6346790E-06 8.4897664E-04 114 6.6041286E-09 7.0732860E-09 -1.4391377E-06 6.8589561E-04 115 -3.8412986E-09 -2.8293694E-08 -7.0614161E-07 4.5992848E-04 116 3.4281887E-09 4.8376872E-09 -2.7129476E-07 2.4141861E-04 117 -2.2521838E-09 -8.1235258E-09 -1.2310807E-07 9.0244232E-05 118 1.7058165E-09 3.3267476E-09 -1.2152927E-08 2.0536615E-05 119 -1.1645311E-09 -2.3988585E-09 -8.3053563E-09 2.3064729E-06 120 7.6069221E-10 1.4047511E-09 2.2239789E-09 9.3319965E-08 121 -4.5410759E-10 -7.6177229E-10 -7.5842558E-10 2.4167868E-09 122 2.3248860E-10 3.5231201E-10 1.5610936E-10 -3.7498037E-09 123 -8.8577333E-11 -1.2474770E-10 1.8899782E-11 1.9556324E-09 124 1.8284819E-11 2.5321788E-11 -2.1828383E-11 -2.8957600E-10 3D- 4D- -2.2427175E+01 -1.9905421E+00 ------------ ------------ *** Large-Component *** 1 1.7645872E-07 -7.0874396E-08 2 -1.6188532E-07 6.6442877E-08 3 5.0561064E-07 -2.0652873E-07 4 -2.2089730E-08 1.8886625E-08 5 1.0841188E-06 -4.5243664E-07 6 1.0600905E-06 -3.8614942E-07 7 3.3808606E-06 -1.4181071E-06 8 6.1691834E-06 -2.3380021E-06 9 1.5117962E-05 -6.2671345E-06 10 3.4898464E-05 -1.3523827E-05 11 8.9514449E-05 -3.6549086E-05 12 2.3742711E-04 -9.3572624E-05 13 6.6236311E-04 -2.6786495E-04 14 1.8885532E-03 -7.5308812E-04 15 5.3988001E-03 -2.1817758E-03 16 1.4835854E-02 -5.9815768E-03 17 3.7605366E-02 -1.5334533E-02 18 8.6032026E-02 -3.5383740E-02 19 1.6748505E-01 -6.9675569E-02 20 2.5744095E-01 -1.0459336E-01 21 3.0329029E-01 -1.1675653E-01 22 2.3489865E-01 -4.5120777E-02 23 1.0090263E-01 1.3099958E-01 24 2.2054559E-02 2.8888832E-01 25 1.7695167E-03 3.3658839E-01 26 3.3422013E-04 2.5556817E-01 27 -1.7498756E-04 1.2502306E-01 28 1.0949425E-04 3.7768268E-02 29 -9.7309010E-05 6.7749909E-03 30 6.5483281E-05 9.1969558E-04 31 -4.8301827E-05 1.3743990E-04 32 3.3002507E-05 -4.9659589E-07 33 -2.1240241E-05 6.1362505E-06 34 1.2069941E-05 -3.5184978E-06 35 -5.3787558E-06 1.6082692E-06 36 1.3875177E-06 -4.2204901E-07 *** Small-Component *** 37 2.6146514E-08 -1.2931311E-08 38 -2.6179532E-09 1.0018050E-08 39 6.8267834E-08 -4.6562343E-08 40 7.0743744E-08 5.1321571E-09 41 2.2874939E-07 -1.4330916E-07 42 4.3957021E-07 -9.8816193E-08 43 1.0722785E-06 -5.3868496E-07 44 2.3970559E-06 -8.0092291E-07 45 5.7160295E-06 -2.5048592E-06 46 1.3431582E-05 -5.0576376E-06 47 3.2218971E-05 -1.3318511E-05 48 7.6773281E-05 -3.0105070E-05 49 1.8266767E-04 -7.4026777E-05 50 4.2821976E-04 -1.7063505E-04 51 9.7903664E-04 -3.9577117E-04 52 2.1131686E-03 -8.5191971E-04 53 4.1568527E-03 -1.6951651E-03 54 7.3235409E-03 -3.0121212E-03 55 1.0930254E-02 -4.5479022E-03 56 1.2846656E-02 -5.2207623E-03 57 1.1554641E-02 -4.4498386E-03 58 6.8241852E-03 -1.3124187E-03 59 2.2316325E-03 2.9038003E-03 60 3.6918147E-04 4.8822275E-03 61 2.0841493E-05 4.3357874E-03 62 2.2988801E-06 2.5090836E-03 63 -1.8180498E-06 9.3539408E-04 64 3.7327419E-07 2.1530069E-04 65 -5.5446316E-07 2.9394129E-05 66 1.5240077E-07 3.0211093E-06 67 -1.5515786E-07 3.3340127E-07 68 4.5665087E-08 -7.8688377E-09 69 -3.7810809E-08 6.2025078E-09 70 6.5652536E-09 -6.6167063E-09 71 -3.9847916E-09 1.5705930E-09 72 -2.2775237E-09 -1.5321362E-09 3D+ 4D+ -2.2027206E+01 -1.9325736E+00 ------------ ------------ *** Large-Component *** 1 -4.9701862E-08 -1.9672140E-08 2 2.7788353E-08 1.0537441E-08 3 -2.2862519E-07 -8.9555511E-08 4 -1.8843106E-07 -7.8245885E-08 5 -1.1544263E-06 -4.5330791E-07 6 -2.4711363E-06 -9.9585444E-07 7 -8.3718338E-06 -3.3133197E-06 8 -2.2566395E-05 -9.0281457E-06 9 -6.8734035E-05 -2.7330644E-05 10 -1.9507083E-04 -7.7919496E-05 11 -5.7029996E-04 -2.2752600E-04 12 -1.6086467E-03 -6.4385074E-04 13 -4.4876757E-03 -1.7997332E-03 14 -1.1819467E-02 -4.7613511E-03 15 -2.8931909E-02 -1.1718298E-02 16 -6.4312781E-02 -2.6322529E-02 17 -1.2646405E-01 -5.2348333E-02 18 -2.0489950E-01 -8.4216861E-02 19 -2.6931634E-01 -1.0714697E-01 20 -2.6762709E-01 -9.3069858E-02 21 -1.7214681E-01 9.7910461E-03 22 -6.5510495E-02 1.6730292E-01 23 -1.3196871E-02 2.8350252E-01 24 -1.3351385E-03 3.0685392E-01 25 -8.8660604E-05 2.3126041E-01 26 -4.1142425E-06 1.2013467E-01 27 2.3870261E-05 4.1532495E-02 28 -3.5155274E-06 9.2186191E-03 29 9.8159719E-06 1.4634487E-03 30 -5.1669591E-06 2.9781977E-04 31 4.2554392E-06 6.7276695E-06 32 -2.8883934E-06 2.0722914E-05 33 1.8486717E-06 -1.2392822E-05 34 -1.0265128E-06 7.0194818E-06 35 4.3835586E-07 -3.0369187E-06 36 -1.0618904E-07 7.4321271E-07 *** Small-Component *** 37 -9.1695415E-08 -3.6109444E-08 38 2.7974886E-08 9.7023365E-09 39 -3.1892858E-07 -1.2369796E-07 40 -2.7194897E-07 -1.1383678E-07 41 -1.2294903E-06 -4.8045148E-07 42 -2.2288753E-06 -8.9984968E-07 43 -6.1496675E-06 -2.4295655E-06 44 -1.3437665E-05 -5.3751017E-06 45 -3.2961942E-05 -1.3094302E-05 46 -7.4670690E-05 -2.9808970E-05 47 -1.7347551E-04 -6.9158599E-05 48 -3.8673979E-04 -1.5469057E-04 49 -8.4975711E-04 -3.4056654E-04 50 -1.7568128E-03 -7.0730253E-04 51 -3.3672527E-03 -1.3630954E-03 52 -5.8506094E-03 -2.3933857E-03 53 -8.9810231E-03 -3.7159284E-03 54 -1.1345361E-02 -4.6613919E-03 55 -1.1618497E-02 -4.6209895E-03 56 -8.9930743E-03 -3.1271294E-03 57 -4.5043947E-03 2.5468640E-04 58 -1.3344746E-03 3.4053721E-03 59 -2.0926691E-04 4.4928230E-03 60 -1.6478034E-05 3.7856504E-03 61 -8.5227764E-07 2.2209281E-03 62 -3.0394878E-08 8.9808494E-04 63 1.3870706E-07 2.4168147E-04 64 -1.5769361E-08 4.1758217E-05 65 3.4505256E-08 5.1592121E-06 66 -1.4104222E-08 8.1793848E-07 67 9.0365321E-09 1.3982665E-08 68 -4.7654073E-09 3.4729477E-08 69 2.3684114E-09 -1.6214460E-08 70 -1.0201883E-09 7.1709508E-09 71 3.3744378E-10 -2.4255950E-09 72 -6.3161977E-11 4.6501701E-10 RADIAL MOMENTS Sym Orb

S+ 1 6.71243E+03 5.55736E+01 2.78054E-02 1.04767E-03 4.98845E-05 2.87417E-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 2.09727E-02 4 3.20831E+01 1.81459E+00 7.66299E-01 6.62661E-01 6.27580E-01 6.46621E-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 3.17185E-04 2 5.04136E+01 4.52590E+00 3.11180E-01 1.12508E-01 4.53728E-02 2.02235E-02 3 9.85230E+00 1.70096E+00 8.04877E-01 7.37751E-01 7.47464E-01 8.32489E-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 2.31049E-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 3.47807E+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 set27 (62s62p36d36f) 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 = -7.11579298393057E+03 Mass Energy = -7.11535971360757E+03 Kinetic Energy = 1.46577214879529E+04 Potential Energy = -1.46581547582759E+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 1.6540330E+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 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18 2.1342618E-01 -9.0228887E-02 19 2.7467549E-01 -1.1225539E-01 20 2.6186024E-01 -8.8973709E-02 21 1.5844530E-01 3.0203367E-02 22 5.6102076E-02 1.9292671E-01 23 1.0058613E-02 3.0272835E-01 24 9.7385530E-04 3.0635476E-01 25 -1.2964715E-05 2.0869212E-01 26 3.4858762E-05 9.5549009E-02 27 -5.7184918E-05 2.8488023E-02 28 2.7420203E-05 5.6479809E-03 29 -2.7842821E-05 9.0069723E-04 30 1.8782984E-05 2.0646248E-04 31 -1.3943828E-05 -1.6553901E-05 32 9.5788156E-06 2.4582671E-05 33 -6.1059243E-06 -1.5783476E-05 34 3.3851565E-06 8.9607734E-06 35 -1.4442174E-06 -3.8853993E-06 36 3.4967340E-07 9.5112658E-07 *** Small-Component *** 37 1.0150666E-07 -4.2399803E-08 38 -2.9843953E-08 1.5237626E-08 39 3.5124812E-07 -1.5073528E-07 40 3.0652400E-07 -1.1384428E-07 41 1.3562091E-06 -5.7460627E-07 42 2.4820463E-06 -9.9084633E-07 43 6.7993467E-06 -2.8272144E-06 44 1.4902140E-05 -6.0610727E-06 45 3.6442149E-05 -1.5032140E-05 46 8.2569132E-05 -3.3817773E-05 47 1.9143705E-04 -7.8873702E-05 48 4.2624852E-04 -1.7546519E-04 49 9.3342891E-04 -3.8609836E-04 50 1.9196319E-03 -7.9646495E-04 51 3.6537665E-03 -1.5267048E-03 52 6.2990633E-03 -2.6594137E-03 53 9.5332732E-03 -4.0716926E-03 54 1.1817828E-02 -4.9942020E-03 55 1.1850264E-02 -4.8414982E-03 56 8.7998431E-03 -2.9898829E-03 57 4.1460705E-03 7.8837284E-04 58 1.1428767E-03 3.9270248E-03 59 1.5950401E-04 4.7975568E-03 60 1.2023077E-05 3.7795410E-03 61 -1.2700331E-07 2.0042151E-03 62 2.6251121E-07 7.1429787E-04 63 -3.3424138E-07 1.6577542E-04 64 1.2525886E-07 2.5584429E-05 65 -9.8939880E-08 3.1751065E-06 66 5.2099955E-08 5.6713455E-07 67 -3.0174575E-08 -3.5706970E-08 68 1.6190546E-08 4.1114050E-08 69 -8.0701818E-09 -2.0580980E-08 70 3.5047316E-09 9.1140204E-09 71 -1.1744220E-09 -3.0853841E-09 72 2.2430766E-10 5.9057541E-10 RADIAL MOMENTS Sym Orb

S+ 1 7.04507E+03 5.68357E+01 2.72177E-02 1.00435E-03 4.68473E-05 2.64458E-06 2 8.29352E+02 1.32859E+01 1.16597E-01 1.60972E-02 2.53134E-03 4.48485E-04 3 1.67853E+02 4.75442E+00 3.12242E-01 1.11551E-01 4.39541E-02 1.89442E-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 2.88967E-04 2 5.36495E+01 4.65435E+00 3.03021E-01 1.06685E-01 4.18813E-02 1.81637E-02 3 1.07547E+01 1.77004E+00 7.75291E-01 6.83991E-01 6.65996E-01 7.11617E-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 2.08543E-02 3 8.43898E+00 1.69499E+00 8.01471E-01 7.30921E-01 7.35956E-01 8.13681E-01 4 8.60759E-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 set27 (62s62p36d36f) 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 = -7.44689403812991E+03 Mass Energy = -7.44640249531636E+03 Kinetic Energy = 1.53578065241584E+04 Potential Energy = -1.53582980669719E+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 1.6540330E+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+ -1.2772554E+03 -2.0246481E+02 -4.3010405E+01 -8.4299090E+00 -1.0101363E+00 ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 -2.1547118E-06 7.5061132E-07 -3.3715866E-07 1.5375020E-07 -5.4862795E-08 2 -5.6106689E-07 1.9962721E-07 -8.9912715E-08 4.1020725E-08 -1.4627263E-08 3 2.4613724E-05 -8.5899906E-06 3.8593223E-06 -1.7599809E-06 6.2796389E-07 4 -3.2404511E-05 1.1309345E-05 -5.0810278E-06 2.3171037E-06 -8.2671338E-07 5 7.0498084E-05 -2.4600822E-05 1.1052429E-05 -5.0402403E-06 1.7983200E-06 6 -5.8782999E-05 2.0507386E-05 -9.2127349E-06 4.2011816E-06 -1.4988312E-06 7 1.0839469E-04 -3.7833740E-05 1.6997829E-05 -7.7514927E-06 2.7655462E-06 8 -6.2354518E-05 2.1734580E-05 -9.7621426E-06 4.4514281E-06 -1.5878426E-06 9 1.4083462E-04 -4.9188498E-05 2.2100688E-05 -1.0078550E-05 3.5955586E-06 10 -4.1448183E-05 1.4380292E-05 -6.4528211E-06 2.9415021E-06 -1.0485969E-06 11 1.8282983E-04 -6.3948342E-05 2.8737215E-05 -1.3105178E-05 4.6750072E-06 12 1.0516278E-05 -3.9270888E-06 1.7863321E-06 -8.1778981E-07 2.9360615E-07 13 2.5687305E-04 -9.0086866E-05 4.0497108E-05 -1.8468828E-05 6.5880760E-06 14 1.1624046E-04 -4.1314943E-05 1.8621710E-05 -8.5003444E-06 3.0363526E-06 15 4.0346985E-04 -1.4208095E-04 6.3905151E-05 -2.9146339E-05 1.0396895E-05 16 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S+ 1 7.39015E+03 5.81099E+01 2.66508E-02 9.63448E-04 4.40384E-05 2.43657E-06 2 8.75514E+02 1.36107E+01 1.14028E-01 1.53996E-02 2.36885E-03 4.10515E-04 3 1.78495E+02 4.88356E+00 3.04614E-01 1.06169E-01 4.08016E-02 1.71463E-02 4 3.78859E+01 1.94980E+00 7.17218E-01 5.80001E-01 5.12661E-01 4.91834E-01 5 5.01974E+00 6.81210E-01 1.90471E+00 4.11080E+00 9.87089E+00 2.62769E+01 P- 1 2.79627E+02 1.35539E+01 9.63068E-02 1.14176E-02 1.60977E-03 2.63658E-04 2 5.70491E+01 4.78406E+00 2.95232E-01 1.01271E-01 3.87218E-02 1.63500E-02 3 1.17231E+01 1.84053E+00 7.47299E-01 6.34904E-01 5.94205E-01 6.08719E-01 4 1.30502E+00 5.75745E-01 2.24115E+00 5.77116E+00 1.68108E+01 5.51793E+01 P+ 1 2.11667E+02 1.24657E+01 1.02049E-01 1.26911E-02 1.86756E-03 3.18292E-04 2 4.37327E+01 4.51862E+00 3.06562E-01 1.08999E-01 4.31672E-02 1.88669E-02 3 9.10436E+00 1.76005E+00 7.73111E-01 6.79418E-01 6.57883E-01 6.97550E-01 4 9.97644E-01 5.46063E-01 2.35162E+00 6.36517E+00 1.95344E+01 6.77065E+01 D- 1 2.38938E+01 4.36197E+00 2.77848E-01 9.12394E-02 3.47443E-02 1.51171E-02 2 4.21223E+00 1.51662E+00 8.69885E-01 8.81322E-01 1.01192E+00 1.31056E+00 D+ 1 2.29960E+01 4.29349E+00 2.81451E-01 9.34786E-02 3.59721E-02 1.58076E-02 2 4.04792E+00 1.49478E+00 8.80602E-01 9.03056E-01 1.04970E+00 1.37661E+00 *************************************************************************************************