******************************************************************************************* Ga [Ar]4s(2)3d(10)4p(1) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 31.0 Atomic Mass = 69.0 Nuclear Radius = 9.755842E-05 Speed of Light = 137.0359955 S+ P- P+ D- D+ Number of Closed Shells 4 2 2 1 1 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 = -1.94256374326387E+03 Mass Energy = -1.94254309961244E+03 Kinetic Energy = 3.92469240717862E+03 Potential Energy = -3.92471305083006E+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 1.3984373E+08 1.0000000E+00 1.0000000E+00 3 7.9175181E+07 1.0000000E+00 1.0000000E+00 4 4.4826530E+07 1.0000000E+00 1.0000000E+00 5 2.5379390E+07 1.0000000E+00 1.0000000E+00 6 1.4369023E+07 1.0000000E+00 1.0000000E+00 7 8.1352946E+06 1.0000000E+00 1.0000000E+00 8 4.6059513E+06 1.0000000E+00 1.0000000E+00 9 2.6077466E+06 1.0000000E+00 1.0000000E+00 10 1.4764252E+06 1.0000000E+00 1.0000000E+00 11 8.3590612E+05 1.0000000E+00 1.0000000E+00 12 4.7326410E+05 1.0000000E+00 1.0000000E+00 13 2.6794744E+05 1.0000000E+00 1.0000000E+00 14 1.5170352E+05 1.0000000E+00 1.0000000E+00 15 8.5889827E+04 1.0000000E+00 1.0000000E+00 16 4.8628154E+04 1.0000000E+00 1.0000000E+00 17 2.7531751E+04 1.0000000E+00 1.0000000E+00 18 1.5587623E+04 1.0000000E+00 1.0000000E+00 19 8.8252283E+03 1.0000000E+00 1.0000000E+00 20 4.9965703E+03 1.0000000E+00 1.0000000E+00 21 2.8289030E+03 1.0000000E+00 1.0000000E+00 22 1.6016371E+03 1.0000000E+00 1.0000000E+00 23 9.0679719E+02 1.0000000E+00 1.0000000E+00 24 5.1340042E+02 1.0000000E+00 1.0000000E+00 25 2.9067138E+02 1.0000000E+00 1.0000000E+00 26 1.6456911E+02 1.0000000E+00 1.0000000E+00 27 9.3173924E+01 1.0000000E+00 1.0000000E+00 28 5.2752184E+01 1.0000000E+00 1.0000000E+00 29 2.9866649E+01 1.0000000E+00 1.0000000E+00 30 1.6909570E+01 1.0000000E+00 1.0000000E+00 31 9.5736734E+00 1.0000000E+00 1.0000000E+00 32 5.4203167E+00 1.0000000E+00 1.0000000E+00 33 3.0688151E+00 1.0000000E+00 1.0000000E+00 34 1.7374678E+00 1.0000000E+00 1.0000000E+00 35 9.8370036E-01 1.0000000E+00 1.0000000E+00 36 5.5694061E-01 1.0000000E+00 1.0000000E+00 37 3.1532248E-01 1.0000000E+00 1.0000000E+00 38 1.7852580E-01 1.0000000E+00 1.0000000E+00 39 1.0107577E-01 1.0000000E+00 1.0000000E+00 40 5.7225962E-02 1.0000000E+00 1.0000000E+00 41 3.2399564E-02 1.0000000E+00 1.0000000E+00 42 1.8343627E-02 1.0000000E+00 1.0000000E+00 43 1.0385592E-02 1.0000000E+00 1.0000000E+00 44 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.3985048E+08 1.0000000E+00 1.0000000E+00 3 7.8389406E+07 1.0000000E+00 1.0000000E+00 4 4.3939063E+07 1.0000000E+00 1.0000000E+00 5 2.4628854E+07 1.0000000E+00 1.0000000E+00 6 1.3805038E+07 1.0000000E+00 1.0000000E+00 7 7.7380410E+06 1.0000000E+00 1.0000000E+00 8 4.3373497E+06 1.0000000E+00 1.0000000E+00 9 2.4311841E+06 1.0000000E+00 1.0000000E+00 10 1.3627345E+06 1.0000000E+00 1.0000000E+00 11 7.6384401E+05 1.0000000E+00 1.0000000E+00 12 4.2815211E+05 1.0000000E+00 1.0000000E+00 13 2.3998909E+05 1.0000000E+00 1.0000000E+00 14 1.3451940E+05 1.0000000E+00 1.0000000E+00 15 7.5401213E+04 1.0000000E+00 1.0000000E+00 16 4.2264112E+04 1.0000000E+00 1.0000000E+00 17 2.3690005E+04 1.0000000E+00 1.0000000E+00 18 1.3278792E+04 1.0000000E+00 1.0000000E+00 19 7.4430679E+03 1.0000000E+00 1.0000000E+00 20 4.1720105E+03 1.0000000E+00 1.0000000E+00 21 2.3385077E+03 1.0000000E+00 1.0000000E+00 22 1.3107873E+03 1.0000000E+00 1.0000000E+00 23 7.3472638E+02 1.0000000E+00 1.0000000E+00 24 4.1183101E+02 1.0000000E+00 1.0000000E+00 25 2.3084074E+02 1.0000000E+00 1.0000000E+00 26 1.2939154E+02 1.0000000E+00 1.0000000E+00 27 7.2526928E+01 1.0000000E+00 1.0000000E+00 28 4.0653009E+01 1.0000000E+00 1.0000000E+00 29 2.2786945E+01 1.0000000E+00 1.0000000E+00 30 1.2772606E+01 1.0000000E+00 1.0000000E+00 31 7.1593392E+00 1.0000000E+00 1.0000000E+00 32 4.0129740E+00 1.0000000E+00 1.0000000E+00 33 2.2493641E+00 1.0000000E+00 1.0000000E+00 34 1.2608203E+00 1.0000000E+00 1.0000000E+00 35 7.0671871E-01 1.0000000E+00 1.0000000E+00 36 3.9613207E-01 1.0000000E+00 1.0000000E+00 37 2.2204112E-01 1.0000000E+00 1.0000000E+00 38 1.2445915E-01 1.0000000E+00 1.0000000E+00 39 6.9762212E-02 1.0000000E+00 1.0000000E+00 40 3.9103322E-02 1.0000000E+00 1.0000000E+00 41 2.1918310E-02 1.0000000E+00 1.0000000E+00 42 1.2285716E-02 1.0000000E+00 1.0000000E+00 43 6.8864261E-03 1.0000000E+00 1.0000000E+00 44 3.8600000E-03 1.0000000E+00 1.0000000E+00 P+ 1 2.0100000E+07 1.0000000E+00 1.0000000E+00 2 1.1922144E+07 1.0000000E+00 1.0000000E+00 3 7.0715183E+06 1.0000000E+00 1.0000000E+00 4 4.1944110E+06 1.0000000E+00 1.0000000E+00 5 2.4878792E+06 1.0000000E+00 1.0000000E+00 6 1.4756644E+06 1.0000000E+00 1.0000000E+00 7 8.7527777E+05 1.0000000E+00 1.0000000E+00 8 5.1916357E+05 1.0000000E+00 1.0000000E+00 9 3.0793745E+05 1.0000000E+00 1.0000000E+00 10 1.8265048E+05 1.0000000E+00 1.0000000E+00 11 1.0833758E+05 1.0000000E+00 1.0000000E+00 12 6.4259514E+04 1.0000000E+00 1.0000000E+00 13 3.8114984E+04 1.0000000E+00 1.0000000E+00 14 2.2607579E+04 1.0000000E+00 1.0000000E+00 15 1.3409493E+04 1.0000000E+00 1.0000000E+00 16 7.9537267E+03 1.0000000E+00 1.0000000E+00 17 4.7176853E+03 1.0000000E+00 1.0000000E+00 18 2.7982549E+03 1.0000000E+00 1.0000000E+00 19 1.6597611E+03 1.0000000E+00 1.0000000E+00 20 9.8447319E+02 1.0000000E+00 1.0000000E+00 21 5.8393190E+02 1.0000000E+00 1.0000000E+00 22 3.4635424E+02 1.0000000E+00 1.0000000E+00 23 2.0543707E+02 1.0000000E+00 1.0000000E+00 24 1.2185325E+02 1.0000000E+00 1.0000000E+00 25 7.2276219E+01 1.0000000E+00 1.0000000E+00 26 4.2870025E+01 1.0000000E+00 1.0000000E+00 27 2.5427991E+01 1.0000000E+00 1.0000000E+00 28 1.5082396E+01 1.0000000E+00 1.0000000E+00 29 8.9459951E+00 1.0000000E+00 1.0000000E+00 30 5.3062409E+00 1.0000000E+00 1.0000000E+00 31 3.1473517E+00 1.0000000E+00 1.0000000E+00 32 1.8668249E+00 1.0000000E+00 1.0000000E+00 33 1.1072913E+00 1.0000000E+00 1.0000000E+00 34 6.5678041E-01 1.0000000E+00 1.0000000E+00 35 3.8956371E-01 1.0000000E+00 1.0000000E+00 36 2.3106640E-01 1.0000000E+00 1.0000000E+00 37 1.3705507E-01 1.0000000E+00 1.0000000E+00 38 8.1293050E-02 1.0000000E+00 1.0000000E+00 39 4.8218281E-02 1.0000000E+00 1.0000000E+00 40 2.8600263E-02 1.0000000E+00 1.0000000E+00 41 1.6964003E-02 1.0000000E+00 1.0000000E+00 42 1.0062054E-02 1.0000000E+00 1.0000000E+00 43 5.9682218E-03 1.0000000E+00 1.0000000E+00 44 3.5400000E-03 1.0000000E+00 1.0000000E+00 D- 1 8.2000000E+05 1.0000000E+00 1.0000000E+00 2 4.7626832E+05 1.0000000E+00 1.0000000E+00 3 2.7662380E+05 1.0000000E+00 1.0000000E+00 4 1.6066726E+05 1.0000000E+00 1.0000000E+00 5 9.3317959E+04 1.0000000E+00 1.0000000E+00 6 5.4200473E+04 1.0000000E+00 1.0000000E+00 7 3.1480449E+04 1.0000000E+00 1.0000000E+00 8 1.8284318E+04 1.0000000E+00 1.0000000E+00 9 1.0619807E+04 1.0000000E+00 1.0000000E+00 10 6.1681434E+03 1.0000000E+00 1.0000000E+00 11 3.5825504E+03 1.0000000E+00 1.0000000E+00 12 2.0807991E+03 1.0000000E+00 1.0000000E+00 13 1.2085594E+03 1.0000000E+00 1.0000000E+00 14 7.0194945E+02 1.0000000E+00 1.0000000E+00 15 4.0770279E+02 1.0000000E+00 1.0000000E+00 16 2.3679991E+02 1.0000000E+00 1.0000000E+00 17 1.3753695E+02 1.0000000E+00 1.0000000E+00 18 7.9883525E+01 1.0000000E+00 1.0000000E+00 19 4.6397552E+01 1.0000000E+00 1.0000000E+00 20 2.6948395E+01 1.0000000E+00 1.0000000E+00 21 1.5652033E+01 1.0000000E+00 1.0000000E+00 22 9.0909360E+00 1.0000000E+00 1.0000000E+00 23 5.2801523E+00 1.0000000E+00 1.0000000E+00 24 3.0667918E+00 1.0000000E+00 1.0000000E+00 25 1.7812388E+00 1.0000000E+00 1.0000000E+00 26 1.0345702E+00 1.0000000E+00 1.0000000E+00 27 6.0089395E-01 1.0000000E+00 1.0000000E+00 28 3.4900823E-01 1.0000000E+00 1.0000000E+00 29 2.0270923E-01 1.0000000E+00 1.0000000E+00 30 1.1773657E-01 1.0000000E+00 1.0000000E+00 31 6.8383167E-02 1.0000000E+00 1.0000000E+00 32 3.9717971E-02 1.0000000E+00 1.0000000E+00 33 2.3068794E-02 1.0000000E+00 1.0000000E+00 34 1.3398703E-02 1.0000000E+00 1.0000000E+00 35 7.7821678E-03 1.0000000E+00 1.0000000E+00 36 4.5200000E-03 1.0000000E+00 1.0000000E+00 D+ 1 1.6500000E+05 1.0000000E+00 1.0000000E+00 2 9.9977070E+04 1.0000000E+00 1.0000000E+00 3 6.0578269E+04 1.0000000E+00 1.0000000E+00 4 3.6705684E+04 1.0000000E+00 1.0000000E+00 5 2.2240768E+04 1.0000000E+00 1.0000000E+00 6 1.3476162E+04 1.0000000E+00 1.0000000E+00 7 8.1654983E+03 1.0000000E+00 1.0000000E+00 8 4.9476521E+03 1.0000000E+00 1.0000000E+00 9 2.9978894E+03 1.0000000E+00 1.0000000E+00 10 1.8164861E+03 1.0000000E+00 1.0000000E+00 11 1.1006482E+03 1.0000000E+00 1.0000000E+00 12 6.6690656E+02 1.0000000E+00 1.0000000E+00 13 4.0409311E+02 1.0000000E+00 1.0000000E+00 14 2.4484876E+02 1.0000000E+00 1.0000000E+00 15 1.4835916E+02 1.0000000E+00 1.0000000E+00 16 8.9894024E+01 1.0000000E+00 1.0000000E+00 17 5.4468734E+01 1.0000000E+00 1.0000000E+00 18 3.3003784E+01 1.0000000E+00 1.0000000E+00 19 1.9997707E+01 1.0000000E+00 1.0000000E+00 20 1.2117043E+01 1.0000000E+00 1.0000000E+00 21 7.3419786E+00 1.0000000E+00 1.0000000E+00 22 4.4486637E+00 1.0000000E+00 1.0000000E+00 23 2.6955416E+00 1.0000000E+00 1.0000000E+00 24 1.6332869E+00 1.0000000E+00 1.0000000E+00 25 9.8964389E-01 1.0000000E+00 1.0000000E+00 26 5.9964664E-01 1.0000000E+00 1.0000000E+00 27 3.6333887E-01 1.0000000E+00 1.0000000E+00 28 2.2015488E-01 1.0000000E+00 1.0000000E+00 29 1.3339661E-01 1.0000000E+00 1.0000000E+00 30 8.0827890E-02 1.0000000E+00 1.0000000E+00 31 4.8975367E-02 1.0000000E+00 1.0000000E+00 32 2.9675234E-02 1.0000000E+00 1.0000000E+00 33 1.7980866E-02 1.0000000E+00 1.0000000E+00 34 1.0894996E-02 1.0000000E+00 1.0000000E+00 35 6.6015138E-03 1.0000000E+00 1.0000000E+00 36 4.0000000E-03 1.0000000E+00 1.0000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ -3.8391439E+02 -4.9303540E+01 -6.5816165E+00 -4.3428805E-01 ------------ ------------ ------------ ------------ *** Large-Component *** 1 -2.4100258E-07 7.6431271E-08 2.9247071E-08 -6.8608966E-09 2 1.8869463E-06 -5.9812735E-07 -2.2889822E-07 5.3696086E-08 3 -4.8840639E-07 1.5494993E-07 5.9201079E-08 -1.3885895E-08 4 4.1062254E-06 -1.3023116E-06 -4.9828884E-07 1.1688968E-07 5 1.1946727E-06 -3.7869103E-07 -1.4535368E-07 3.4106020E-08 6 7.7563849E-06 -2.4625281E-06 -9.4208028E-07 2.2099443E-07 7 6.6270945E-06 -2.1032827E-06 -8.0632574E-07 1.8918005E-07 8 1.6739040E-05 -5.3228671E-06 -2.0363335E-06 4.7769117E-07 9 2.1682886E-05 -6.8912031E-06 -2.6417690E-06 6.1981421E-07 10 4.2095954E-05 -1.3413747E-05 -5.1322664E-06 1.2039783E-06 11 6.5842379E-05 -2.0964545E-05 -8.0383102E-06 1.8860028E-06 12 1.1984453E-04 -3.8278159E-05 -1.4649201E-05 3.4366784E-06 13 2.0620975E-04 -6.5807435E-05 -2.5238415E-05 5.9218099E-06 14 3.7717577E-04 -1.2077799E-04 -4.6237654E-05 1.0847749E-05 15 6.8647725E-04 -2.1968281E-04 -8.4275979E-05 1.9774875E-05 16 1.2852996E-03 -4.1288043E-04 -1.5813786E-04 3.7102645E-05 17 2.4224692E-03 -7.7849122E-04 -2.9877533E-04 7.0110241E-05 18 4.6265603E-03 -1.4947949E-03 -5.7299840E-04 1.3445209E-04 19 8.8657046E-03 -2.8754946E-03 -1.1047249E-03 2.5927074E-04 20 1.6992165E-02 -5.5723410E-03 -2.1402828E-03 5.0233913E-04 21 3.2227324E-02 -1.0723394E-02 -4.1326256E-03 9.7030328E-04 22 5.9693924E-02 -2.0451587E-02 -7.8995435E-03 1.8554547E-03 23 1.0547528E-01 -3.7857573E-02 -1.4730121E-02 3.4629137E-03 24 1.7133187E-01 -6.6891607E-02 -2.6276960E-02 6.1858531E-03 25 2.3981546E-01 -1.0771445E-01 -4.3177133E-02 1.0190804E-02 26 2.5838244E-01 -1.4571046E-01 -6.0225713E-02 1.4274881E-02 27 1.7829915E-01 -1.2843293E-01 -5.5700776E-02 1.3285855E-02 28 5.9659326E-02 1.4926608E-02 8.1304054E-03 -1.9721771E-03 29 6.4903985E-03 2.9643313E-01 1.6623975E-01 -4.1103502E-02 30 6.7579433E-04 4.7684506E-01 3.6208434E-01 -9.3510456E-02 31 -4.6373704E-05 2.9741514E-01 2.9485067E-01 -7.8424821E-02 32 3.2711954E-05 6.7316602E-02 -1.0328421E-01 3.4460762E-02 33 -8.2729711E-05 6.5946496E-03 -4.6592536E-01 1.5105512E-01 34 2.6690683E-05 1.1186590E-03 -4.8643975E-01 2.0946796E-01 35 -3.1086554E-05 4.8591451E-04 -2.1095208E-01 1.7977636E-01 36 2.0775505E-05 -1.0010061E-04 -2.9365619E-02 2.3696274E-02 37 -1.5348049E-05 1.1729282E-04 -1.3491468E-03 -2.1248397E-01 38 1.1170126E-05 -8.6702347E-05 -5.5190065E-05 -3.9173784E-01 39 -7.8277086E-06 6.0370864E-05 -9.1779210E-05 -3.8436591E-01 40 5.3006300E-06 -4.2372133E-05 1.3652338E-05 -1.8294398E-01 41 -3.2823669E-06 2.6121456E-05 -1.9848651E-05 -2.7600508E-02 42 1.7549168E-06 -1.4068309E-05 8.0039722E-06 -9.7626577E-04 43 -7.0647681E-07 5.6680241E-06 -3.2130606E-06 7.4283747E-05 44 1.5591712E-07 -1.2486081E-06 7.0591817E-07 -2.1274116E-05 *** Small-Component *** 45 -1.3921991E-06 4.4145813E-07 1.6876618E-07 -3.9586983E-08 46 3.2392613E-06 -1.0282052E-06 -3.9274198E-07 9.2118980E-08 47 3.0808043E-06 -9.7024237E-07 -3.7314340E-07 8.7563106E-08 48 8.3860282E-06 -2.6656525E-06 -1.0169590E-06 2.3851131E-07 49 1.1943617E-05 -3.7671052E-06 -1.4469134E-06 3.3950771E-07 50 2.0470084E-05 -6.5058860E-06 -2.4823786E-06 5.8220755E-07 51 3.0912946E-05 -9.7580548E-06 -3.7454919E-06 8.7881275E-07 52 4.8483132E-05 -1.5401120E-05 -5.8793508E-06 1.3789679E-06 53 7.3769674E-05 -2.3302835E-05 -8.9395820E-06 2.0974361E-06 54 1.1315710E-04 -3.5929303E-05 -1.3722681E-05 3.2186871E-06 55 1.7217227E-04 -5.4423773E-05 -2.0869354E-05 4.8963019E-06 56 2.6243543E-04 -8.3309578E-05 -3.1832615E-05 7.4666507E-06 57 3.9895895E-04 -1.2621313E-04 -4.8382422E-05 1.1351121E-05 58 6.0664173E-04 -1.9262632E-04 -7.3632278E-05 1.7271736E-05 59 9.2099740E-04 -2.9176341E-04 -1.1182618E-04 2.6235745E-05 60 1.3971467E-03 -4.4427070E-04 -1.6990564E-04 3.9856205E-05 61 2.1145095E-03 -6.7200062E-04 -2.5759724E-04 6.0437345E-05 62 3.1905632E-03 -1.0193899E-03 -3.9017818E-04 9.1536353E-05 63 4.7858585E-03 -1.5343993E-03 -5.8870884E-04 1.3814069E-04 64 7.1101989E-03 -2.3052303E-03 -8.8413214E-04 2.0747248E-04 65 1.0381939E-02 -3.4155508E-03 -1.3145350E-03 3.0858587E-04 66 1.4715839E-02 -4.9868972E-03 -1.9236289E-03 4.5174434E-04 67 1.9808357E-02 -7.0352660E-03 -2.7339985E-03 6.4263286E-04 68 2.4422692E-02 -9.4406884E-03 -3.7042438E-03 8.7188100E-04 69 2.5878586E-02 -1.1514710E-02 -4.6108716E-03 1.0881255E-03 70 2.1063296E-02 -1.1776826E-02 -4.8634744E-03 1.1526263E-03 71 1.0962298E-02 -7.8420692E-03 -3.3997668E-03 8.1088098E-04 72 2.7631147E-03 6.6262045E-04 3.5981516E-04 -8.7217606E-05 73 2.2621182E-04 1.0227274E-02 5.7275977E-03 -1.4159271E-03 74 1.7620393E-05 1.2398838E-02 9.4045110E-03 -2.4284956E-03 75 -8.9759202E-07 5.8219405E-03 5.7672187E-03 -1.5339500E-03 76 4.6721658E-07 9.9159717E-04 -1.5182516E-03 5.0646852E-04 77 -9.0765149E-07 7.3091453E-05 -5.1581813E-03 1.6720827E-03 78 2.1395685E-07 9.3165292E-06 -4.0525919E-03 1.7448642E-03 79 -1.8841419E-07 3.0526683E-06 -1.3224233E-03 1.1268434E-03 80 9.2958530E-08 -4.7596368E-07 -1.3852723E-04 1.1178188E-04 81 -5.0649575E-08 4.1892488E-07 -4.7816006E-06 -7.5404297E-04 82 2.6993904E-08 -2.3335511E-07 -1.5225307E-07 -1.0460254E-03 83 -1.3682925E-08 1.2253474E-07 -1.8097785E-07 -7.7226699E-04 84 6.6031914E-09 -6.4853961E-08 1.8313287E-08 -2.7657510E-04 85 -2.8298618E-09 3.0192461E-08 -2.1109808E-08 -3.1397287E-05 86 9.9423025E-10 -1.2302308E-08 6.0337624E-09 -8.3539740E-07 87 -2.3399764E-10 3.7656629E-09 -1.7154877E-09 4.7744657E-08 88 2.0799333E-11 -6.3634821E-10 2.5394105E-10 -1.0285076E-08 2P- 3P- 4P- -4.3440476E+01 -4.6198822E+00 -2.0954123E-01 ------------ ------------ ------------ *** Large-Component *** 1 -3.8427386E-08 1.4611256E-08 -2.3858170E-09 2 9.0456625E-08 -3.4389401E-08 5.6152054E-09 3 9.2419205E-08 -3.5176546E-08 5.7448338E-09 4 2.4774738E-07 -9.4166145E-08 1.5375168E-08 5 3.5223087E-07 -1.3405301E-07 2.1892479E-08 6 6.1870431E-07 -2.3513657E-07 3.8391761E-08 7 9.2705401E-07 -3.5284788E-07 5.7624903E-08 8 1.4881569E-06 -5.6549300E-07 9.2328129E-08 9 2.2660009E-06 -8.6261642E-07 1.4088234E-07 10 3.5473031E-06 -1.3476791E-06 2.2002586E-07 11 5.4548570E-06 -2.0771872E-06 3.3926385E-07 12 8.5165539E-06 -3.2345836E-06 5.2805897E-07 13 1.3265870E-05 -5.0541251E-06 8.2554470E-07 14 2.0997540E-05 -7.9719519E-06 1.3013685E-06 15 3.3611553E-05 -1.2815276E-05 2.0934836E-06 16 5.5388779E-05 -2.1024712E-05 3.4319568E-06 17 9.4329319E-05 -3.6003116E-05 5.8822178E-06 18 1.6967504E-04 -6.4442207E-05 1.0519561E-05 19 3.2406701E-04 -1.2385444E-04 2.0238229E-05 20 6.6609768E-04 -2.5356344E-04 4.1402237E-05 21 1.4570651E-03 -5.5821106E-04 9.1232030E-05 22 3.3590091E-03 -1.2857389E-03 2.1006567E-04 23 7.9338394E-03 -3.0611026E-03 5.0063041E-04 24 1.8771975E-02 -7.2870830E-03 1.1923292E-03 25 4.3099435E-02 -1.7014769E-02 2.7891241E-03 26 9.2490365E-02 -3.7353979E-02 6.1369581E-03 27 1.7383046E-01 -7.2652959E-02 1.1979886E-02 28 2.6804040E-01 -1.1663930E-01 1.9321813E-02 29 3.0342013E-01 -1.3705510E-01 2.2814074E-02 30 2.0411709E-01 -5.1125435E-02 7.3882547E-03 31 6.5529620E-02 1.5603703E-01 -3.1144757E-02 32 9.0545894E-03 3.3564505E-01 -6.5817834E-02 33 1.1572101E-03 3.6054835E-01 -7.4771927E-02 34 4.4426257E-04 2.2546084E-01 -5.4265900E-02 35 4.0095203E-05 6.9922347E-02 2.4420996E-03 36 6.5033089E-05 9.2259461E-03 9.8229948E-02 37 -3.4401722E-05 1.2058830E-03 2.1193278E-01 38 2.4715876E-05 2.6588343E-04 3.0302102E-01 39 -1.8726124E-05 8.3615521E-05 3.0703286E-01 40 1.2322975E-05 1.6253695E-05 1.8582375E-01 41 -8.0239518E-06 7.5115137E-06 4.5959675E-02 42 4.4668154E-06 -1.2217101E-06 2.0663415E-03 43 -1.9412804E-06 6.8785306E-07 7.2787147E-05 44 4.8016522E-07 -1.9792566E-07 -1.4578416E-05 *** Small-Component *** 45 -2.7391003E-09 9.5990981E-10 -1.5450750E-10 46 1.1819330E-08 -4.1917249E-09 6.7619507E-10 47 1.3278900E-08 -5.7140011E-09 9.5117520E-10 48 3.6958604E-08 -1.2900166E-08 2.0749099E-09 49 5.3500394E-08 -2.2160733E-08 3.6682289E-09 50 9.8735623E-08 -3.4873236E-08 5.6213552E-09 51 1.4992358E-07 -6.0905221E-08 1.0051348E-08 52 2.5491438E-07 -9.1470532E-08 1.4786593E-08 53 3.9710268E-07 -1.5887167E-07 2.6156294E-08 54 6.6921994E-07 -2.4369647E-07 3.9496827E-08 55 1.0768550E-06 -4.2522092E-07 6.9861091E-08 56 1.8462027E-06 -6.8111266E-07 1.1063957E-07 57 3.0967658E-06 -1.2093016E-06 1.9831983E-07 58 5.4716891E-06 -2.0409323E-06 3.3214809E-07 59 9.6131017E-06 -3.7211086E-06 6.0935155E-07 60 1.7591540E-05 -6.6178623E-06 1.0785461E-06 61 3.2288685E-05 -1.2422553E-05 2.0321474E-06 62 6.1008913E-05 -2.3093730E-05 3.7674479E-06 63 1.1582587E-04 -4.4417027E-05 7.2615732E-06 64 2.2359308E-04 -8.5050513E-05 1.3884841E-05 65 4.3147632E-04 -1.6548098E-04 2.7049801E-05 66 8.3313706E-04 -3.1887591E-04 5.2096794E-05 67 1.5823689E-03 -6.1069035E-04 9.9879566E-05 68 2.9283255E-03 -1.1367504E-03 1.8599691E-04 69 5.1645292E-03 -2.0390566E-03 3.3425369E-04 70 8.4214819E-03 -3.4016173E-03 5.5886436E-04 71 1.1948764E-02 -4.9955180E-03 8.2374404E-04 72 1.3855739E-02 -6.0321608E-03 9.9929467E-04 73 1.1765501E-02 -5.3193317E-03 8.8553505E-04 74 5.9199857E-03 -1.4845581E-03 2.1457325E-04 75 1.4081221E-03 3.4080944E-03 -6.8001470E-04 76 1.3267572E-04 5.4869849E-03 -1.0758242E-03 77 4.1742186E-06 4.4128857E-03 -9.1507451E-04 78 -2.4452237E-06 2.0662151E-03 -4.9727198E-04 79 -3.8785941E-06 4.7998434E-04 1.6635474E-05 80 -2.4608788E-06 4.7619882E-05 5.0432156E-04 81 -1.7921809E-06 4.7785536E-06 8.1471620E-04 82 -1.2172351E-06 8.7611782E-07 8.7214040E-04 83 -5.7944115E-07 2.2641214E-07 6.6161462E-04 84 -7.2947869E-07 9.0645131E-08 2.9977530E-04 85 2.5366853E-08 6.0324018E-09 5.5515124E-05 86 -6.0194051E-07 5.0965803E-08 1.8497271E-06 87 2.6514719E-07 -2.2432574E-08 5.7595092E-08 88 -3.5024995E-07 3.0014515E-08 -1.8320526E-08 2P+ 3P+ 4P+ -4.2411787E+01 -4.4776645E+00 -2.0593224E-01 ------------ ------------ ------------ *** Large-Component *** 1 4.3437125E-09 -1.6634949E-09 2.7051180E-10 2 -5.6640757E-09 2.2104129E-09 -3.5631704E-10 3 1.4466324E-08 -5.6298640E-09 9.1036226E-10 4 -5.6813657E-09 2.3734235E-09 -3.7993507E-10 5 2.9192112E-08 -1.1456110E-08 1.8623528E-09 6 1.6978996E-08 -5.8647205E-09 9.6151999E-10 7 8.1209361E-08 -3.1904362E-08 5.1980998E-09 8 1.2933314E-07 -4.7642025E-08 7.7495710E-09 9 3.2917143E-07 -1.2790950E-07 2.0902879E-08 10 6.8738866E-07 -2.5741626E-07 4.1846167E-08 11 1.6037381E-06 -6.1784332E-07 1.0096979E-07 12 3.6355489E-06 -1.3728757E-06 2.2326769E-07 13 8.5209845E-06 -3.2663787E-06 5.3339608E-07 14 2.0000925E-05 -7.5850973E-06 1.2349126E-06 15 4.7623598E-05 -1.8213730E-05 2.9719677E-06 16 1.1386059E-04 -4.3305862E-05 7.0556665E-06 17 2.7386245E-04 -1.0470109E-04 1.7078158E-05 18 6.5862179E-04 -2.5128414E-04 4.0961801E-05 19 1.5793300E-03 -6.0518595E-04 9.8725262E-05 20 3.7468488E-03 -1.4379476E-03 2.3455784E-04 21 8.7245443E-03 -3.3708506E-03 5.5031802E-04 22 1.9712886E-02 -7.6784737E-03 1.2544404E-03 23 4.2593496E-02 -1.6857801E-02 2.7588089E-03 24 8.5576445E-02 -3.4636466E-02 5.6807657E-03 25 1.5291491E-01 -6.3808270E-02 1.0499005E-02 26 2.3192546E-01 -1.0037764E-01 1.6582898E-02 27 2.7792195E-01 -1.2578089E-01 2.0900147E-02 28 2.2665540E-01 -8.7653190E-02 1.4155650E-02 29 1.0692446E-01 5.3684968E-02 -1.1683094E-02 30 2.5670402E-02 2.2918495E-01 -4.4704506E-02 31 3.4106939E-03 3.3005787E-01 -6.5134482E-02 32 8.5007441E-04 3.0302113E-01 -6.5232131E-02 33 2.3370034E-04 1.7554896E-01 -4.3141024E-02 34 1.0666248E-04 5.5877650E-02 7.2811804E-03 35 -3.0043931E-06 8.8778783E-03 8.6444580E-02 36 1.6141836E-05 1.3926057E-03 1.7940429E-01 37 -1.2276800E-05 2.9970597E-04 2.6064339E-01 38 7.7898860E-06 1.5258593E-04 2.8878872E-01 39 -6.1958125E-06 5.2044338E-07 2.2356831E-01 40 3.9531354E-06 2.8532680E-05 9.6879044E-02 41 -2.5600959E-06 -3.8403777E-06 1.5662638E-02 42 1.3800716E-06 -7.7620277E-07 4.8768534E-04 43 -5.6942533E-07 3.1433732E-06 -1.3650627E-05 44 1.3080621E-07 -1.5757189E-06 4.7153383E-06 *** Small-Component *** 45 1.6050973E-08 -6.1915925E-09 1.0141422E-09 46 -1.1036461E-08 4.5485036E-09 -7.6060217E-10 47 3.8342465E-08 -1.5402290E-08 2.5524174E-09 48 1.0124174E-08 -2.3851128E-09 3.1401299E-10 49 7.7281804E-08 -3.1689418E-08 5.2837386E-09 50 9.8917031E-08 -3.4256198E-08 5.4093996E-09 51 2.2973955E-07 -9.2147743E-08 1.5263587E-08 52 4.0647065E-07 -1.4798761E-07 2.3785259E-08 53 8.0667249E-07 -3.1596129E-07 5.1945059E-08 54 1.5182027E-06 -5.6492606E-07 9.1491109E-08 55 2.9312966E-06 -1.1322154E-06 1.8530976E-07 56 5.5817981E-06 -2.0999917E-06 3.4125712E-07 57 1.0708950E-05 -4.1059972E-06 6.7060719E-07 58 2.0434424E-05 -7.7321945E-06 1.2585251E-06 59 3.9078127E-05 -1.4932173E-05 2.4363534E-06 60 7.4452185E-05 -2.8270344E-05 4.6050235E-06 61 1.4165921E-04 -5.4087956E-05 8.8216739E-06 62 2.6796309E-04 -1.0208559E-04 1.6638126E-05 63 5.0302433E-04 -1.9249469E-04 3.1398198E-05 64 9.3070111E-04 -3.5669351E-04 5.8175453E-05 65 1.6849553E-03 -6.5016923E-04 1.0613215E-04 66 2.9528210E-03 -1.1487374E-03 1.8764680E-04 67 4.9390100E-03 -1.9524881E-03 3.1949146E-04 68 7.6700656E-03 -3.1010408E-03 5.0855129E-04 69 1.0580475E-02 -4.4107749E-03 7.2568185E-04 70 1.2377452E-02 -5.3523901E-03 8.8417191E-04 71 1.1434634E-02 -5.1712505E-03 8.5922018E-04 72 7.1864374E-03 -2.7783399E-03 4.4871572E-04 73 2.6116554E-03 1.3082226E-03 -2.8470981E-04 74 4.8292737E-04 4.3064148E-03 -8.3993663E-04 75 4.9399426E-05 4.7772490E-03 -9.4268288E-04 76 9.4855462E-06 3.3780744E-03 -7.2714934E-04 77 2.0033571E-06 1.5072608E-03 -3.7038075E-04 78 7.0815329E-07 3.6949530E-04 4.8131528E-05 79 -1.7313797E-08 4.5214363E-05 4.4018776E-04 80 6.4774558E-08 5.4600097E-06 7.0358745E-04 81 -3.8150961E-08 9.0784853E-07 7.8725161E-04 82 1.8890484E-08 3.5156494E-07 6.7178067E-04 83 -1.1644910E-08 4.6835926E-09 4.0053225E-04 84 5.8265120E-09 3.5720453E-08 1.3367084E-04 85 -2.9575691E-09 -1.1146393E-09 1.6643765E-05 86 1.2616477E-09 -2.4875142E-09 3.9911502E-07 87 -4.1587696E-10 2.7878363E-09 -8.6014801E-09 88 7.7542898E-11 -9.6557617E-10 2.2884582E-09 3D- -1.1768924E+00 ------------ *** Large-Component *** 1 -7.6738527E-09 2 7.0911232E-09 3 -2.2221751E-08 4 1.2325158E-09 5 -4.8367630E-08 6 -4.5480839E-08 7 -1.5243153E-07 8 -2.6946845E-07 9 -6.8751441E-07 10 -1.5672233E-06 11 -4.1784069E-06 12 -1.1244756E-05 13 -3.2798052E-05 14 -9.7057183E-05 15 -2.9447107E-04 16 -8.8817498E-04 17 -2.6446128E-03 18 -7.4476600E-03 19 -1.9020811E-02 20 -4.3532234E-02 21 -8.9301214E-02 22 -1.5320088E-01 23 -2.0993111E-01 24 -2.3566608E-01 25 -2.2389296E-01 26 -1.7829136E-01 27 -1.1272930E-01 28 -5.2009029E-02 29 -1.5289081E-02 30 -2.4018986E-03 31 -2.6047455E-04 32 -3.0670836E-05 33 -5.4419309E-06 34 1.5431778E-06 35 -7.4086344E-07 36 1.9650845E-07 *** Small-Component *** 37 -8.9717362E-10 38 4.4588020E-10 39 -3.0557418E-09 40 -1.0105609E-09 41 -1.0462161E-08 42 -1.3103385E-08 43 -4.6701894E-08 44 -9.0359954E-08 45 -2.5045520E-07 46 -5.7250258E-07 47 -1.4765884E-06 48 -3.5809332E-06 49 -8.9889423E-06 50 -2.1921753E-05 51 -5.3291608E-05 52 -1.2626202E-04 53 -2.9181886E-04 54 -6.3321564E-04 55 -1.2404780E-03 56 -2.1714891E-03 57 -3.4016298E-03 58 -4.4524564E-03 59 -4.6526947E-03 60 -3.9818612E-03 61 -2.8835053E-03 62 -1.7500893E-03 63 -8.4329879E-04 64 -2.9646836E-04 65 -6.6380040E-05 66 -7.9184034E-06 67 -6.3960416E-07 68 -4.8338323E-08 69 -4.5717627E-09 70 5.8537739E-09 71 -1.0654103E-09 72 1.9533423E-09 3D+ -1.1571628E+00 ------------ *** Large-Component *** 1 1.7841762E-09 2 -7.2871869E-10 3 8.3734249E-09 4 9.5486376E-09 5 4.6554866E-08 6 1.1449229E-07 7 3.7010874E-07 8 1.0660846E-06 9 3.2552272E-06 10 9.6627510E-06 11 2.8979928E-05 12 8.5390697E-05 13 2.4921673E-04 14 7.1307893E-04 15 1.9964475E-03 16 5.3298296E-03 17 1.3119999E-02 18 2.9264883E-02 19 5.9702947E-02 20 1.0787829E-01 21 1.6279686E-01 22 2.0361328E-01 23 2.1749123E-01 24 2.0229722E-01 25 1.6142831E-01 26 1.0559684E-01 27 5.3032968E-02 28 1.8444883E-02 29 3.8452147E-03 30 4.9701059E-04 31 7.3669723E-05 32 1.0208797E-05 33 4.2774025E-07 34 1.6179845E-07 35 -7.9778666E-08 36 2.0275397E-08 *** Small-Component *** 37 4.1035768E-09 38 -6.9242004E-10 39 1.3584138E-08 40 1.5236391E-08 41 5.4487614E-08 42 1.1187978E-07 43 2.8782871E-07 44 6.6449135E-07 45 1.6114389E-06 46 3.7857222E-06 47 8.9524104E-06 48 2.0738404E-05 49 4.7473948E-05 50 1.0634123E-04 51 2.3274024E-04 52 4.8512499E-04 53 9.3147495E-04 54 1.6194899E-03 55 2.5741853E-03 56 3.6228365E-03 57 4.2570615E-03 58 4.1451998E-03 59 3.4468531E-03 60 2.4957280E-03 61 1.5502631E-03 62 7.8938697E-04 63 3.0859982E-04 64 8.3547713E-05 65 1.3557785E-05 66 1.3640563E-06 67 1.5740284E-07 68 1.6965642E-08 69 5.6118306E-10 70 1.5865404E-10 71 -6.0411953E-11 72 1.1689694E-11 RADIAL MOMENTS Sym Orb

S+ 1 2.02311E+03 3.13069E+01 4.85761E-02 3.17546E-03 2.61456E-04 2.60122E-05 2 2.04748E+02 6.91514E+00 2.16706E-01 5.54625E-02 1.62089E-02 5.35780E-03 3 3.10074E+01 2.18596E+00 6.50274E-01 4.87568E-01 4.09753E-01 3.83509E-01 4 1.87925E+00 5.26083E-01 2.44844E+00 6.97964E+00 2.28238E+01 8.49848E+01 P- 1 6.60471E+01 6.84106E+00 1.88220E-01 4.35103E-02 1.19795E-02 3.84493E-03 2 9.58119E+00 2.04942E+00 6.72871E-01 5.33181E-01 4.82996E-01 4.96834E-01 3 3.66829E-01 3.76853E-01 3.39133E+00 1.36565E+01 6.41635E+01 3.47044E+02 P+ 1 6.08323E+01 6.66916E+00 1.91661E-01 4.49881E-02 1.25603E-02 4.08512E-03 2 8.84623E+00 2.01016E+00 6.82878E-01 5.49078E-01 5.04817E-01 5.27166E-01 3 3.43423E-01 3.71178E-01 3.43829E+00 1.40300E+01 6.67658E+01 3.65615E+02 D- 1 3.74727E+00 1.66653E+00 7.88389E-01 7.98245E-01 1.01484E+00 1.58389E+00 D+ 1 3.68978E+00 1.65435E+00 7.94402E-01 8.10889E-01 1.03982E+00 1.63743E+00 ******************************************************************************************* ******************************************************************************************* Ge [Ar]4s(2)3d(10)4p(2) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 32.0 Atomic Mass = 74.0 Nuclear Radius = 9.953208E-05 Speed of Light = 137.0359955 S+ P- P+ D- D+ Number of Closed Shells 4 2 2 1 1 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 = -2.09747033457405E+03 Mass Energy = -2.09744544583909E+03 Kinetic Energy = 4.24037433310594E+03 Potential Energy = -4.24039922184091E+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 1.3984373E+08 1.0000000E+00 1.0000000E+00 3 7.9175181E+07 1.0000000E+00 1.0000000E+00 4 4.4826530E+07 1.0000000E+00 1.0000000E+00 5 2.5379390E+07 1.0000000E+00 1.0000000E+00 6 1.4369023E+07 1.0000000E+00 1.0000000E+00 7 8.1352946E+06 1.0000000E+00 1.0000000E+00 8 4.6059513E+06 1.0000000E+00 1.0000000E+00 9 2.6077466E+06 1.0000000E+00 1.0000000E+00 10 1.4764252E+06 1.0000000E+00 1.0000000E+00 11 8.3590612E+05 1.0000000E+00 1.0000000E+00 12 4.7326410E+05 1.0000000E+00 1.0000000E+00 13 2.6794744E+05 1.0000000E+00 1.0000000E+00 14 1.5170352E+05 1.0000000E+00 1.0000000E+00 15 8.5889827E+04 1.0000000E+00 1.0000000E+00 16 4.8628154E+04 1.0000000E+00 1.0000000E+00 17 2.7531751E+04 1.0000000E+00 1.0000000E+00 18 1.5587623E+04 1.0000000E+00 1.0000000E+00 19 8.8252283E+03 1.0000000E+00 1.0000000E+00 20 4.9965703E+03 1.0000000E+00 1.0000000E+00 21 2.8289030E+03 1.0000000E+00 1.0000000E+00 22 1.6016371E+03 1.0000000E+00 1.0000000E+00 23 9.0679719E+02 1.0000000E+00 1.0000000E+00 24 5.1340042E+02 1.0000000E+00 1.0000000E+00 25 2.9067138E+02 1.0000000E+00 1.0000000E+00 26 1.6456911E+02 1.0000000E+00 1.0000000E+00 27 9.3173924E+01 1.0000000E+00 1.0000000E+00 28 5.2752184E+01 1.0000000E+00 1.0000000E+00 29 2.9866649E+01 1.0000000E+00 1.0000000E+00 30 1.6909570E+01 1.0000000E+00 1.0000000E+00 31 9.5736734E+00 1.0000000E+00 1.0000000E+00 32 5.4203167E+00 1.0000000E+00 1.0000000E+00 33 3.0688151E+00 1.0000000E+00 1.0000000E+00 34 1.7374678E+00 1.0000000E+00 1.0000000E+00 35 9.8370036E-01 1.0000000E+00 1.0000000E+00 36 5.5694061E-01 1.0000000E+00 1.0000000E+00 37 3.1532248E-01 1.0000000E+00 1.0000000E+00 38 1.7852580E-01 1.0000000E+00 1.0000000E+00 39 1.0107577E-01 1.0000000E+00 1.0000000E+00 40 5.7225962E-02 1.0000000E+00 1.0000000E+00 41 3.2399564E-02 1.0000000E+00 1.0000000E+00 42 1.8343627E-02 1.0000000E+00 1.0000000E+00 43 1.0385592E-02 1.0000000E+00 1.0000000E+00 44 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.3985048E+08 1.0000000E+00 1.0000000E+00 3 7.8389406E+07 1.0000000E+00 1.0000000E+00 4 4.3939063E+07 1.0000000E+00 1.0000000E+00 5 2.4628854E+07 1.0000000E+00 1.0000000E+00 6 1.3805038E+07 1.0000000E+00 1.0000000E+00 7 7.7380410E+06 1.0000000E+00 1.0000000E+00 8 4.3373497E+06 1.0000000E+00 1.0000000E+00 9 2.4311841E+06 1.0000000E+00 1.0000000E+00 10 1.3627345E+06 1.0000000E+00 1.0000000E+00 11 7.6384401E+05 1.0000000E+00 1.0000000E+00 12 4.2815211E+05 1.0000000E+00 1.0000000E+00 13 2.3998909E+05 1.0000000E+00 1.0000000E+00 14 1.3451940E+05 1.0000000E+00 1.0000000E+00 15 7.5401213E+04 1.0000000E+00 1.0000000E+00 16 4.2264112E+04 1.0000000E+00 1.0000000E+00 17 2.3690005E+04 1.0000000E+00 1.0000000E+00 18 1.3278792E+04 1.0000000E+00 1.0000000E+00 19 7.4430679E+03 1.0000000E+00 1.0000000E+00 20 4.1720105E+03 1.0000000E+00 1.0000000E+00 21 2.3385077E+03 1.0000000E+00 1.0000000E+00 22 1.3107873E+03 1.0000000E+00 1.0000000E+00 23 7.3472638E+02 1.0000000E+00 1.0000000E+00 24 4.1183101E+02 1.0000000E+00 1.0000000E+00 25 2.3084074E+02 1.0000000E+00 1.0000000E+00 26 1.2939154E+02 1.0000000E+00 1.0000000E+00 27 7.2526928E+01 1.0000000E+00 1.0000000E+00 28 4.0653009E+01 1.0000000E+00 1.0000000E+00 29 2.2786945E+01 1.0000000E+00 1.0000000E+00 30 1.2772606E+01 1.0000000E+00 1.0000000E+00 31 7.1593392E+00 1.0000000E+00 1.0000000E+00 32 4.0129740E+00 1.0000000E+00 1.0000000E+00 33 2.2493641E+00 1.0000000E+00 1.0000000E+00 34 1.2608203E+00 1.0000000E+00 1.0000000E+00 35 7.0671871E-01 1.0000000E+00 1.0000000E+00 36 3.9613207E-01 1.0000000E+00 1.0000000E+00 37 2.2204112E-01 1.0000000E+00 1.0000000E+00 38 1.2445915E-01 1.0000000E+00 1.0000000E+00 39 6.9762212E-02 1.0000000E+00 1.0000000E+00 40 3.9103322E-02 1.0000000E+00 1.0000000E+00 41 2.1918310E-02 1.0000000E+00 1.0000000E+00 42 1.2285716E-02 1.0000000E+00 1.0000000E+00 43 6.8864261E-03 1.0000000E+00 1.0000000E+00 44 3.8600000E-03 1.0000000E+00 1.0000000E+00 P+ 1 2.0100000E+07 1.0000000E+00 1.0000000E+00 2 1.1922144E+07 1.0000000E+00 1.0000000E+00 3 7.0715183E+06 1.0000000E+00 1.0000000E+00 4 4.1944110E+06 1.0000000E+00 1.0000000E+00 5 2.4878792E+06 1.0000000E+00 1.0000000E+00 6 1.4756644E+06 1.0000000E+00 1.0000000E+00 7 8.7527777E+05 1.0000000E+00 1.0000000E+00 8 5.1916357E+05 1.0000000E+00 1.0000000E+00 9 3.0793745E+05 1.0000000E+00 1.0000000E+00 10 1.8265048E+05 1.0000000E+00 1.0000000E+00 11 1.0833758E+05 1.0000000E+00 1.0000000E+00 12 6.4259514E+04 1.0000000E+00 1.0000000E+00 13 3.8114984E+04 1.0000000E+00 1.0000000E+00 14 2.2607579E+04 1.0000000E+00 1.0000000E+00 15 1.3409493E+04 1.0000000E+00 1.0000000E+00 16 7.9537267E+03 1.0000000E+00 1.0000000E+00 17 4.7176853E+03 1.0000000E+00 1.0000000E+00 18 2.7982549E+03 1.0000000E+00 1.0000000E+00 19 1.6597611E+03 1.0000000E+00 1.0000000E+00 20 9.8447319E+02 1.0000000E+00 1.0000000E+00 21 5.8393190E+02 1.0000000E+00 1.0000000E+00 22 3.4635424E+02 1.0000000E+00 1.0000000E+00 23 2.0543707E+02 1.0000000E+00 1.0000000E+00 24 1.2185325E+02 1.0000000E+00 1.0000000E+00 25 7.2276219E+01 1.0000000E+00 1.0000000E+00 26 4.2870025E+01 1.0000000E+00 1.0000000E+00 27 2.5427991E+01 1.0000000E+00 1.0000000E+00 28 1.5082396E+01 1.0000000E+00 1.0000000E+00 29 8.9459951E+00 1.0000000E+00 1.0000000E+00 30 5.3062409E+00 1.0000000E+00 1.0000000E+00 31 3.1473517E+00 1.0000000E+00 1.0000000E+00 32 1.8668249E+00 1.0000000E+00 1.0000000E+00 33 1.1072913E+00 1.0000000E+00 1.0000000E+00 34 6.5678041E-01 1.0000000E+00 1.0000000E+00 35 3.8956371E-01 1.0000000E+00 1.0000000E+00 36 2.3106640E-01 1.0000000E+00 1.0000000E+00 37 1.3705507E-01 1.0000000E+00 1.0000000E+00 38 8.1293050E-02 1.0000000E+00 1.0000000E+00 39 4.8218281E-02 1.0000000E+00 1.0000000E+00 40 2.8600263E-02 1.0000000E+00 1.0000000E+00 41 1.6964003E-02 1.0000000E+00 1.0000000E+00 42 1.0062054E-02 1.0000000E+00 1.0000000E+00 43 5.9682218E-03 1.0000000E+00 1.0000000E+00 44 3.5400000E-03 1.0000000E+00 1.0000000E+00 D- 1 8.2000000E+05 1.0000000E+00 1.0000000E+00 2 4.7626832E+05 1.0000000E+00 1.0000000E+00 3 2.7662380E+05 1.0000000E+00 1.0000000E+00 4 1.6066726E+05 1.0000000E+00 1.0000000E+00 5 9.3317959E+04 1.0000000E+00 1.0000000E+00 6 5.4200473E+04 1.0000000E+00 1.0000000E+00 7 3.1480449E+04 1.0000000E+00 1.0000000E+00 8 1.8284318E+04 1.0000000E+00 1.0000000E+00 9 1.0619807E+04 1.0000000E+00 1.0000000E+00 10 6.1681434E+03 1.0000000E+00 1.0000000E+00 11 3.5825504E+03 1.0000000E+00 1.0000000E+00 12 2.0807991E+03 1.0000000E+00 1.0000000E+00 13 1.2085594E+03 1.0000000E+00 1.0000000E+00 14 7.0194945E+02 1.0000000E+00 1.0000000E+00 15 4.0770279E+02 1.0000000E+00 1.0000000E+00 16 2.3679991E+02 1.0000000E+00 1.0000000E+00 17 1.3753695E+02 1.0000000E+00 1.0000000E+00 18 7.9883525E+01 1.0000000E+00 1.0000000E+00 19 4.6397552E+01 1.0000000E+00 1.0000000E+00 20 2.6948395E+01 1.0000000E+00 1.0000000E+00 21 1.5652033E+01 1.0000000E+00 1.0000000E+00 22 9.0909360E+00 1.0000000E+00 1.0000000E+00 23 5.2801523E+00 1.0000000E+00 1.0000000E+00 24 3.0667918E+00 1.0000000E+00 1.0000000E+00 25 1.7812388E+00 1.0000000E+00 1.0000000E+00 26 1.0345702E+00 1.0000000E+00 1.0000000E+00 27 6.0089395E-01 1.0000000E+00 1.0000000E+00 28 3.4900823E-01 1.0000000E+00 1.0000000E+00 29 2.0270923E-01 1.0000000E+00 1.0000000E+00 30 1.1773657E-01 1.0000000E+00 1.0000000E+00 31 6.8383167E-02 1.0000000E+00 1.0000000E+00 32 3.9717971E-02 1.0000000E+00 1.0000000E+00 33 2.3068794E-02 1.0000000E+00 1.0000000E+00 34 1.3398703E-02 1.0000000E+00 1.0000000E+00 35 7.7821678E-03 1.0000000E+00 1.0000000E+00 36 4.5200000E-03 1.0000000E+00 1.0000000E+00 D+ 1 1.6500000E+05 1.0000000E+00 1.0000000E+00 2 9.9977070E+04 1.0000000E+00 1.0000000E+00 3 6.0578269E+04 1.0000000E+00 1.0000000E+00 4 3.6705684E+04 1.0000000E+00 1.0000000E+00 5 2.2240768E+04 1.0000000E+00 1.0000000E+00 6 1.3476162E+04 1.0000000E+00 1.0000000E+00 7 8.1654983E+03 1.0000000E+00 1.0000000E+00 8 4.9476521E+03 1.0000000E+00 1.0000000E+00 9 2.9978894E+03 1.0000000E+00 1.0000000E+00 10 1.8164861E+03 1.0000000E+00 1.0000000E+00 11 1.1006482E+03 1.0000000E+00 1.0000000E+00 12 6.6690656E+02 1.0000000E+00 1.0000000E+00 13 4.0409311E+02 1.0000000E+00 1.0000000E+00 14 2.4484876E+02 1.0000000E+00 1.0000000E+00 15 1.4835916E+02 1.0000000E+00 1.0000000E+00 16 8.9894024E+01 1.0000000E+00 1.0000000E+00 17 5.4468734E+01 1.0000000E+00 1.0000000E+00 18 3.3003784E+01 1.0000000E+00 1.0000000E+00 19 1.9997707E+01 1.0000000E+00 1.0000000E+00 20 1.2117043E+01 1.0000000E+00 1.0000000E+00 21 7.3419786E+00 1.0000000E+00 1.0000000E+00 22 4.4486637E+00 1.0000000E+00 1.0000000E+00 23 2.6955416E+00 1.0000000E+00 1.0000000E+00 24 1.6332869E+00 1.0000000E+00 1.0000000E+00 25 9.8964389E-01 1.0000000E+00 1.0000000E+00 26 5.9964664E-01 1.0000000E+00 1.0000000E+00 27 3.6333887E-01 1.0000000E+00 1.0000000E+00 28 2.2015488E-01 1.0000000E+00 1.0000000E+00 29 1.3339661E-01 1.0000000E+00 1.0000000E+00 30 8.0827890E-02 1.0000000E+00 1.0000000E+00 31 4.8975367E-02 1.0000000E+00 1.0000000E+00 32 2.9675234E-02 1.0000000E+00 1.0000000E+00 33 1.7980866E-02 1.0000000E+00 1.0000000E+00 34 1.0894996E-02 1.0000000E+00 1.0000000E+00 35 6.6015138E-03 1.0000000E+00 1.0000000E+00 36 4.0000000E-03 1.0000000E+00 1.0000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ -4.1106858E+02 -5.3459165E+01 -7.4122517E+00 -5.7046231E-01 ------------ ------------ ------------ ------------ *** Large-Component *** 1 -3.0535390E-07 9.7308272E-08 3.7632327E-08 -9.7258879E-09 2 2.1002800E-06 -6.6903232E-07 -2.5873602E-07 6.6867378E-08 3 -5.1024327E-07 1.6267335E-07 6.2864773E-08 -1.6252115E-08 4 4.5361270E-06 -1.4457799E-06 -5.5910324E-07 1.4450159E-07 5 1.4177156E-06 -4.5168409E-07 -1.7490411E-07 4.5181145E-08 6 8.6080872E-06 -2.7465690E-06 -1.0621551E-06 2.7453214E-07 7 7.4976254E-06 -2.3916383E-06 -9.2573657E-07 2.3919242E-07 8 1.8625834E-05 -5.9527881E-06 -2.3023396E-06 5.9510856E-07 9 2.4243000E-05 -7.7444678E-06 -2.9979586E-06 7.7466952E-07 10 4.6758331E-05 -1.4976219E-05 -5.7935466E-06 1.4975782E-06 11 7.3087790E-05 -2.3393830E-05 -9.0580269E-06 2.3407051E-06 12 1.3252134E-04 -4.2551546E-05 -1.6465800E-05 4.2564393E-06 13 2.2748209E-04 -7.2988915E-05 -2.8269300E-05 7.3054912E-06 14 4.1482843E-04 -1.3356455E-04 -5.1702342E-05 1.3365741E-05 15 7.5303122E-04 -2.4233389E-04 -9.3890523E-05 2.4265084E-05 16 1.4062773E-03 -4.5433639E-04 -1.7595282E-04 4.5488412E-05 17 2.6440276E-03 -8.5471903E-04 -3.3132779E-04 8.5636152E-05 18 5.0377412E-03 -1.6376833E-03 -6.3475846E-04 1.6411719E-04 19 9.6292903E-03 -3.1436102E-03 -1.2200620E-03 3.1540039E-04 20 1.8402256E-02 -6.0781567E-03 -2.3607463E-03 6.1053424E-04 21 3.4767835E-02 -1.1664187E-02 -4.5424871E-03 1.1748647E-03 22 6.4044911E-02 -2.2163530E-02 -8.6601157E-03 2.2414987E-03 23 1.1219257E-01 -4.0800331E-02 -1.6054579E-02 4.1583316E-03 24 1.7971967E-01 -7.1471187E-02 -2.8439177E-02 7.3795210E-03 25 2.4563930E-01 -1.1333313E-01 -4.6045627E-02 1.1979193E-02 26 2.5411200E-01 -1.4846216E-01 -6.2383520E-02 1.6312283E-02 27 1.6395823E-01 -1.1941113E-01 -5.2617784E-02 1.3842681E-02 28 4.9175369E-02 4.3726764E-02 2.2316197E-02 -5.9515398E-03 29 4.6192087E-03 3.3445605E-01 1.9667572E-01 -5.4014743E-02 30 5.2740096E-04 4.7369210E-01 3.8067228E-01 -1.0938436E-01 31 -4.2945100E-05 2.6081120E-01 2.5773414E-01 -7.5725617E-02 32 3.1816635E-06 5.1592121E-02 -1.6495636E-01 5.8445940E-02 33 -5.7877809E-05 4.8198240E-03 -5.0504323E-01 1.8677996E-01 34 1.1522282E-05 1.0408314E-03 -4.6311127E-01 2.5161809E-01 35 -1.7004144E-05 2.5097970E-04 -1.6223126E-01 1.8159467E-01 36 1.1137619E-05 -1.2862588E-05 -1.6556298E-02 -6.1549677E-02 37 -7.9260414E-06 2.1511226E-05 -5.2104979E-04 -3.2791726E-01 38 5.9031009E-06 -2.3408046E-05 -3.6816218E-04 -4.3642731E-01 39 -4.0417936E-06 1.1724846E-05 9.7392267E-05 -3.0873153E-01 40 2.7618733E-06 -9.8954307E-06 -1.5002077E-04 -9.1247581E-02 41 -1.7044523E-06 5.7133421E-06 8.4511819E-05 -6.9147250E-03 42 9.1234089E-07 -3.0774742E-06 -4.8634909E-05 -2.2838300E-04 43 -3.6781677E-07 1.2253072E-06 2.0001481E-05 3.1645825E-05 44 8.1290573E-08 -2.6703848E-07 -4.4658308E-06 -5.0658332E-06 *** Small-Component *** 45 -1.4653739E-06 4.6696903E-07 1.8050842E-07 -4.6656835E-08 46 3.1063734E-06 -9.9119718E-07 -3.8299956E-07 9.9013086E-08 47 3.6858326E-06 -1.1670382E-06 -4.5205953E-07 1.1673996E-07 48 8.7441313E-06 -2.7936690E-06 -1.0790426E-06 2.7900332E-07 49 1.3297602E-05 -4.2150649E-06 -1.6321704E-06 4.2155635E-07 50 2.2097101E-05 -7.0578960E-06 -2.7263452E-06 7.0491079E-07 51 3.3912003E-05 -1.0757479E-05 -4.1646173E-06 1.0757430E-06 52 5.2796478E-05 -1.6854136E-05 -6.5117524E-06 1.6835092E-06 53 8.0612241E-05 -2.5589621E-05 -9.9047922E-06 2.5586879E-06 54 1.2340724E-04 -3.9377518E-05 -1.5216791E-05 3.9337597E-06 55 1.8784615E-04 -5.9671142E-05 -2.3093140E-05 5.9660620E-06 56 2.8609372E-04 -9.1270281E-05 -3.5276277E-05 9.1188798E-06 57 4.3477472E-04 -1.3822607E-04 -5.3490076E-05 1.3819954E-05 58 6.6070012E-04 -2.1084174E-04 -8.1507787E-05 2.1068825E-05 59 1.0024703E-03 -3.1917297E-04 -1.2351617E-04 3.1914365E-05 60 1.5196971E-03 -4.8571896E-04 -1.8783288E-04 4.8552171E-05 61 2.2980404E-03 -7.3415684E-04 -2.8419873E-04 7.3438689E-05 62 3.4639141E-03 -1.1127860E-03 -4.3065195E-04 1.1132425E-04 63 5.1883620E-03 -1.6731445E-03 -6.4840194E-04 1.6758298E-04 64 7.6923394E-03 -2.5101206E-03 -9.7344366E-04 2.5170074E-04 65 1.1195938E-02 -3.7111336E-03 -1.4431535E-03 3.7317877E-04 66 1.5789353E-02 -5.4010072E-03 -2.1073707E-03 5.4534615E-04 67 2.1077591E-02 -7.5800247E-03 -2.9787166E-03 7.7138173E-04 68 2.5632954E-02 -1.0086641E-02 -4.0086115E-03 1.0399965E-03 69 2.6525562E-02 -1.2117029E-02 -4.9175514E-03 1.2791538E-03 70 2.0730569E-02 -1.2002830E-02 -5.0391049E-03 1.3174870E-03 71 1.0088042E-02 -7.2964234E-03 -3.2141872E-03 8.4555803E-04 72 2.2791757E-03 1.9820270E-03 1.0083754E-03 -2.6879664E-04 73 1.6106658E-04 1.1542169E-02 6.7776723E-03 -1.8610656E-03 74 1.3744850E-05 1.2318855E-02 9.8883790E-03 -2.8410441E-03 75 -8.2838357E-07 5.1059585E-03 5.0419642E-03 -1.4814188E-03 76 2.9597732E-08 7.6006320E-04 -2.4256759E-03 8.5926442E-04 77 -6.3049611E-07 5.3400671E-05 -5.5913840E-03 2.0675460E-03 78 8.6555427E-08 8.6851615E-06 -3.8583321E-03 2.0959792E-03 79 -9.9507924E-08 1.5667726E-06 -1.0170216E-03 1.1382595E-03 80 4.7173432E-08 -5.5277218E-08 -7.8107455E-05 -2.9025534E-04 81 -2.4131497E-08 7.2351471E-08 -1.8422248E-06 -1.1636896E-03 82 1.2843076E-08 -5.9638282E-08 -9.8829536E-07 -1.1653609E-03 83 -6.0377571E-09 2.1525689E-08 1.9932067E-07 -6.2030498E-04 84 2.7477566E-09 -1.3584389E-08 -2.2927873E-07 -1.3794844E-04 85 -1.0265537E-09 5.6288327E-09 9.7700582E-08 -7.8662109E-06 86 2.6871341E-10 -2.1524633E-09 -4.2498071E-08 -1.9529257E-07 87 -1.3959330E-11 5.8362584E-10 1.3257245E-08 2.0307580E-08 88 -1.5807418E-11 -8.0204171E-11 -2.2566001E-09 -2.4394388E-09 2P- 3P- 4P- -4.7335099E+01 -5.3271107E+00 -2.7255610E-01 ------------ ------------ ------------ *** Large-Component *** 1 -4.1119865E-08 1.5869897E-08 -3.1099761E-09 2 8.6794837E-08 -3.3492312E-08 6.5633449E-09 3 1.2117233E-07 -4.6802645E-08 9.1720115E-09 4 2.5992540E-07 -1.0028138E-07 1.9651494E-08 5 4.2053841E-07 -1.6243007E-07 3.1831926E-08 6 6.8245031E-07 -2.6327688E-07 5.1592872E-08 7 1.0744228E-06 -4.1502017E-07 8.1332020E-08 8 1.6736446E-06 -6.4560044E-07 1.2651652E-07 9 2.5956646E-06 -1.0027873E-06 1.9651641E-07 10 4.0174073E-06 -1.5494356E-06 3.0363721E-07 11 6.2174176E-06 -2.4026423E-06 4.7085483E-07 12 9.6679054E-06 -3.7278078E-06 7.3051652E-07 13 1.5085459E-05 -5.8321533E-06 1.1429743E-06 14 2.3853237E-05 -9.1950020E-06 1.8019000E-06 15 3.8176011E-05 -1.4769266E-05 2.8945502E-06 16 6.2929120E-05 -2.4256137E-05 4.7535213E-06 17 1.0704567E-04 -4.1455019E-05 8.1251347E-06 18 1.9266192E-04 -7.4312711E-05 1.4564641E-05 19 3.6722463E-04 -1.4241930E-04 2.7918296E-05 20 7.5467196E-04 -2.9178858E-04 5.7201812E-05 21 1.6458525E-03 -6.4005859E-04 1.2551269E-04 22 3.7869994E-03 -1.4726929E-03 2.8887088E-04 23 8.9040464E-03 -3.4899565E-03 6.8498862E-04 24 2.0969528E-02 -8.2783565E-03 1.6264157E-03 25 4.7754434E-02 -1.9188740E-02 3.7766867E-03 26 1.0117729E-01 -4.1662339E-02 8.2232468E-03 27 1.8617871E-01 -7.9416507E-02 1.5735299E-02 28 2.7860600E-01 -1.2405064E-01 2.4718520E-02 29 2.9844476E-01 -1.3582490E-01 2.7131701E-02 30 1.8406080E-01 -2.7779203E-02 3.5678961E-03 31 5.2823214E-02 1.8982262E-01 -4.5727580E-02 32 6.6249808E-03 3.5644201E-01 -8.5333154E-02 33 9.5403511E-04 3.5381765E-01 -9.2684588E-02 34 3.4488518E-04 1.9337651E-01 -5.7133813E-02 35 1.4626958E-05 4.7743205E-02 3.8315168E-02 36 4.4587420E-05 5.1432527E-03 1.7395215E-01 37 -3.0930903E-05 7.5560657E-04 2.8841498E-01 38 1.9852752E-05 2.8736782E-04 3.2323327E-01 39 -1.6228540E-05 4.8846681E-05 2.4021643E-01 40 1.0241926E-05 5.5703503E-05 9.2201645E-02 41 -6.7298393E-06 -1.6127080E-05 1.0754478E-02 42 3.7760837E-06 1.1189554E-05 2.6079698E-04 43 -1.6811017E-06 -4.9141078E-06 -6.2599200E-05 44 4.3072029E-07 1.2131396E-06 1.7188161E-05 *** Small-Component *** 45 -3.4067905E-09 1.2359489E-09 -2.4187822E-10 46 1.3234049E-08 -4.8153212E-09 9.4249661E-10 47 1.5285839E-08 -6.5426924E-09 1.2846791E-09 48 4.3284383E-08 -1.5591253E-08 3.0509701E-09 49 6.1591188E-08 -2.5531056E-08 5.0105273E-09 50 1.1681775E-07 -4.2505912E-08 8.3192676E-09 51 1.7286234E-07 -7.0493297E-08 1.3830343E-08 52 3.0111065E-07 -1.1094537E-07 2.1720710E-08 53 4.5808340E-07 -1.8444092E-07 3.6177356E-08 54 7.8627553E-07 -2.9309312E-07 5.7397116E-08 55 1.2408165E-06 -4.9422992E-07 9.6923076E-08 56 2.1540579E-06 -8.1133554E-07 1.5892324E-07 57 3.5589075E-06 -1.4046911E-06 2.7543304E-07 58 6.3352812E-06 -2.4075412E-06 4.7169254E-07 59 1.1006956E-05 -4.3134148E-06 8.4568347E-07 60 2.0216099E-05 -7.7369584E-06 1.5161575E-06 61 3.6817581E-05 -1.4357427E-05 2.8147559E-06 62 6.9649819E-05 -2.6796813E-05 5.2521320E-06 63 1.3152168E-04 -5.1162386E-05 1.0030769E-05 64 2.5379456E-04 -9.8079252E-05 1.9228148E-05 65 4.8769328E-04 -1.8985179E-04 3.7231408E-05 66 9.3975900E-04 -3.6544838E-04 7.1684666E-05 67 1.7761955E-03 -6.9636706E-04 1.3668155E-04 68 3.2715527E-03 -1.2915731E-03 2.5375174E-04 69 5.7226353E-03 -2.2997338E-03 4.5263314E-04 70 9.2128093E-03 -3.7942169E-03 7.4890876E-04 71 1.2797487E-02 -5.4607748E-03 1.0820147E-03 72 1.4401061E-02 -6.4155322E-03 1.2784346E-03 73 1.1569720E-02 -5.2713017E-03 1.0531022E-03 74 5.3331877E-03 -8.0425215E-04 1.0315346E-04 75 1.1292203E-03 4.1456232E-03 -9.9834392E-04 76 9.2062297E-05 5.8270122E-03 -1.3948099E-03 77 1.1250233E-06 4.3306356E-03 -1.1343060E-03 78 -3.7236141E-06 1.7723176E-03 -5.2360179E-04 79 -4.2863116E-06 3.2787075E-04 2.6262734E-04 80 -2.7235955E-06 2.6663083E-05 8.9312208E-04 81 -1.8717847E-06 3.0545223E-06 1.1087336E-03 82 -1.3038574E-06 9.4239017E-07 9.3030603E-04 83 -6.0431079E-07 1.5392384E-07 5.1762607E-04 84 -7.7499542E-07 1.5694242E-07 1.4872305E-04 85 2.8923201E-08 -2.2507223E-08 1.2991614E-05 86 -6.3662063E-07 6.4433976E-08 2.1097185E-07 87 2.8023393E-07 -2.7198002E-08 -3.1435353E-08 88 -3.6992599E-07 3.2055403E-08 -5.6865836E-09 2P+ 3P+ 4P+ -4.6150539E+01 -5.1598674E+00 -2.6590632E-01 ------------ ------------ ------------ *** Large-Component *** 1 5.0416499E-09 -1.9548060E-09 3.8222390E-10 2 -6.5502107E-09 2.5619784E-09 -5.0219549E-10 3 1.6718822E-08 -6.5406195E-09 1.2821627E-09 4 -6.4633087E-09 2.6653481E-09 -5.3012953E-10 5 3.3517669E-08 -1.3265144E-08 2.6092046E-09 6 1.9997832E-08 -7.1728738E-09 1.3687256E-09 7 9.2684096E-08 -3.6788091E-08 7.2429887E-09 8 1.4988696E-07 -5.6279663E-08 1.0896392E-08 9 3.7454577E-07 -1.4765920E-07 2.9012339E-08 10 7.8999019E-07 -3.0054803E-07 5.8425851E-08 11 1.8210015E-06 -7.1270440E-07 1.3972346E-07 12 4.1509369E-06 -1.5908341E-06 3.0993057E-07 13 9.6551194E-06 -3.7606133E-06 7.3615808E-07 14 2.2722409E-05 -8.7480372E-06 1.7065148E-06 15 5.3848592E-05 -2.0920732E-05 4.0918260E-06 16 1.2885840E-04 -4.9768027E-05 9.7161455E-06 17 3.0895749E-04 -1.1998133E-04 2.3458108E-05 18 7.4275357E-04 -2.8783537E-04 5.6227617E-05 19 1.7759312E-03 -6.9140285E-04 1.3519298E-04 20 4.2050342E-03 -1.6398848E-03 3.2060442E-04 21 9.7521362E-03 -3.8307265E-03 7.4969859E-04 22 2.1938215E-02 -8.6939619E-03 1.7027769E-03 23 4.7047344E-02 -1.8966365E-02 3.7221965E-03 24 9.3411745E-02 -3.8558403E-02 7.5859095E-03 25 1.6385154E-01 -6.9810388E-02 1.3784437E-02 26 2.4232495E-01 -1.0732558E-01 2.1292000E-02 27 2.7791258E-01 -1.2803177E-01 2.5539856E-02 28 2.1132740E-01 -7.3856797E-02 1.3914460E-02 29 9.1059168E-02 8.2396832E-02 -2.0779673E-02 30 1.9680059E-02 2.5569326E-01 -6.0478565E-02 31 2.5691570E-03 3.4118744E-01 -8.2855929E-02 32 7.0328667E-04 2.8937654E-01 -7.9665327E-02 33 1.7189043E-04 1.4595641E-01 -4.1209859E-02 34 7.1887567E-05 3.7546187E-02 4.2893179E-02 35 -1.1579201E-05 4.9897602E-03 1.5376579E-01 36 1.1220815E-05 8.7243301E-04 2.5023003E-01 37 -1.1374688E-05 3.0839991E-04 2.9319904E-01 38 6.1835491E-06 9.7418931E-05 2.5217516E-01 39 -5.5760190E-06 5.7210416E-05 1.3788087E-01 40 3.3593342E-06 2.5562630E-06 3.5618846E-02 41 -2.1917923E-06 6.2994303E-06 2.4965133E-03 42 1.1840325E-06 -3.0337823E-06 5.1826004E-05 43 -4.8863197E-07 1.2570767E-06 -1.1615210E-05 44 1.1251570E-07 -2.8592825E-07 2.1917294E-06 *** Small-Component *** 45 1.8001541E-08 -7.0666387E-09 1.3868906E-09 46 -1.1946064E-08 5.0709153E-09 -1.0168446E-09 47 4.2258035E-08 -1.7370561E-08 3.4534595E-09 48 1.3354093E-08 -3.2808575E-09 5.3279012E-10 49 8.4513015E-08 -3.5588627E-08 7.1209472E-09 50 1.1602980E-07 -4.0488094E-08 7.6600737E-09 51 2.5387845E-07 -1.0416224E-07 2.0696687E-08 52 4.6748043E-07 -1.7209256E-07 3.3128255E-08 53 9.0053713E-07 -3.5939378E-07 7.0865713E-08 54 1.7301270E-06 -6.5248043E-07 1.2654085E-07 55 3.2904859E-06 -1.2923411E-06 2.5366271E-07 56 6.3301701E-06 -2.4162646E-06 4.7030429E-07 57 1.2051481E-05 -4.6949010E-06 9.1932291E-07 58 2.3109712E-05 -8.8763435E-06 1.7308280E-06 59 4.4013202E-05 -1.7082710E-05 3.3411032E-06 60 8.4033707E-05 -3.2397507E-05 6.3233698E-06 61 1.5948202E-04 -6.1848700E-05 1.2090889E-05 62 3.0177769E-04 -1.1675940E-04 2.2804237E-05 63 5.6510579E-04 -2.1968852E-04 4.2950342E-05 64 1.0439173E-03 -4.0650968E-04 7.9461424E-05 65 1.8827977E-03 -7.3856009E-04 1.4452010E-04 66 3.2857077E-03 -1.3003581E-03 2.5464795E-04 67 5.4553619E-03 -2.1964796E-03 4.3100759E-04 68 8.3727464E-03 -3.4520959E-03 6.7907645E-04 69 1.1338023E-02 -4.8257262E-03 9.5276642E-04 70 1.2933782E-02 -5.7231379E-03 1.1352930E-03 71 1.1435705E-02 -5.2643310E-03 1.0500681E-03 72 6.7012143E-03 -2.3417612E-03 4.4124866E-04 73 2.2243452E-03 2.0087163E-03 -5.0655075E-04 74 3.7026316E-04 4.8046404E-03 -1.1363266E-03 75 3.7208120E-05 4.9384123E-03 -1.1991643E-03 76 7.8491617E-06 3.2260247E-03 -8.8804054E-04 77 1.4720776E-06 1.2532031E-03 -3.5381170E-04 78 4.7844995E-07 2.4828214E-04 2.8358806E-04 79 -6.1200081E-08 2.5412193E-05 7.8300105E-04 80 4.5623906E-08 3.4213790E-06 9.8135504E-04 81 -3.5531674E-08 9.3181819E-07 8.8558535E-04 82 1.5225290E-08 2.2641563E-07 5.8661145E-04 83 -1.0581095E-08 1.0264066E-07 2.4701994E-04 84 5.0372302E-09 3.4290290E-09 4.9145948E-05 85 -2.5855593E-09 6.7544029E-09 2.6528882E-06 86 1.1137169E-09 -2.5142969E-09 4.2417750E-08 87 -3.7161300E-10 8.0475463E-10 -7.3204489E-09 88 7.0547080E-11 -1.4171915E-10 1.0634268E-09 3D- -1.6187530E+00 ------------ *** Large-Component *** 1 -9.4893803E-09 2 8.7294754E-09 3 -2.7376822E-08 4 1.2403854E-09 5 -5.9295289E-08 6 -5.7376607E-08 7 -1.8662708E-07 8 -3.3721311E-07 9 -8.4376922E-07 10 -1.9508284E-06 11 -5.1407152E-06 12 -1.3922919E-05 13 -4.0343143E-05 14 -1.1950670E-04 15 -3.6105046E-04 16 -1.0873899E-03 17 -3.2186809E-03 18 -8.9734782E-03 19 -2.2603487E-02 20 -5.1143301E-02 21 -1.0274864E-01 22 -1.7004756E-01 23 -2.2440650E-01 24 -2.4344144E-01 25 -2.2027702E-01 26 -1.5903907E-01 27 -8.4652858E-02 28 -3.0168321E-02 29 -6.3068369E-03 30 -8.4043110E-04 31 -1.1781446E-04 32 -1.9467293E-05 33 2.9832921E-06 34 -2.1963207E-06 35 1.0147402E-06 36 -2.6764544E-07 *** Small-Component *** 37 -1.0560251E-09 38 2.8275532E-10 39 -3.2427215E-09 40 -2.3045666E-09 41 -1.1486197E-08 42 -1.8731679E-08 43 -5.4801358E-08 44 -1.1717208E-07 45 -3.0417363E-07 46 -7.1895599E-07 47 -1.8138432E-06 48 -4.4418332E-06 49 -1.1056326E-05 50 -2.7001582E-05 51 -6.5343152E-05 52 -1.5459257E-04 53 -3.5518313E-04 54 -7.6299857E-04 55 -1.4741953E-03 56 -2.5511880E-03 57 -3.9139060E-03 58 -4.9420998E-03 59 -4.9734979E-03 60 -4.1131934E-03 61 -2.8368770E-03 62 -1.5610363E-03 63 -6.3318704E-04 64 -1.7190260E-04 65 -2.7335692E-05 66 -2.7441691E-06 67 -2.7845863E-07 68 -2.6246291E-08 69 7.9848310E-09 70 1.8838044E-09 71 4.1197669E-10 72 1.7483072E-09 3D+ -1.5945837E+00 ------------ *** Large-Component *** 1 2.2430412E-09 2 -9.6920760E-10 3 1.0582793E-08 4 1.1527757E-08 5 5.8417740E-08 6 1.4070127E-07 7 4.6020321E-07 8 1.3143314E-06 9 4.0262833E-06 10 1.1905178E-05 11 3.5700589E-05 12 1.0489832E-04 13 3.0567349E-04 14 8.7239273E-04 15 2.4327976E-03 16 6.4386909E-03 17 1.5658294E-02 18 3.4540780E-02 19 6.9523393E-02 20 1.2225592E-01 21 1.7811056E-01 22 2.1558278E-01 23 2.2302116E-01 24 1.9725053E-01 25 1.4286351E-01 26 7.9570035E-02 27 3.1608447E-02 28 8.0638370E-03 29 1.3134526E-03 30 2.1280133E-04 31 3.6748351E-05 32 2.5617050E-06 33 6.6003310E-07 34 -3.4283968E-07 35 1.5720709E-07 36 -4.0222683E-08 *** Small-Component *** 37 5.1063418E-09 38 -9.9675410E-10 39 1.7093117E-08 40 1.8256429E-08 41 6.8136163E-08 42 1.3682046E-07 43 3.5694731E-07 44 8.1712509E-07 45 1.9898875E-06 46 4.6582243E-06 47 1.1019132E-05 48 2.5460829E-05 49 5.8206604E-05 50 1.3006977E-04 51 2.8357484E-04 52 5.8601739E-04 53 1.1116478E-03 54 1.9114468E-03 55 2.9976761E-03 56 4.1057625E-03 57 4.6575578E-03 58 4.3889056E-03 59 3.5345211E-03 60 2.4334953E-03 61 1.3719956E-03 62 5.9483158E-04 63 1.8393224E-04 64 3.6526187E-05 65 4.6311236E-06 66 5.8402771E-07 67 7.8522531E-08 68 4.2510791E-09 69 8.5957549E-10 70 -3.4789361E-10 71 1.2398856E-10 72 -2.4586231E-11 RADIAL MOMENTS Sym Orb

S+ 1 2.16875E+03 3.23872E+01 4.69780E-02 2.97047E-03 2.36581E-04 2.27673E-05 2 2.21335E+02 7.17964E+00 2.08995E-01 5.15867E-02 1.45372E-02 4.63236E-03 3 3.41758E+01 2.28933E+00 6.21962E-01 4.45551E-01 3.57139E-01 3.18207E-01 4 2.48186E+00 5.91450E-01 2.18754E+00 5.53922E+00 1.59917E+01 5.23234E+01 P- 1 7.14184E+01 7.10728E+00 1.81194E-01 4.03171E-02 1.06825E-02 3.29882E-03 2 1.06143E+01 2.15583E+00 6.39763E-01 4.81014E-01 4.12214E-01 3.99815E-01 3 5.46578E-01 4.48417E-01 2.86764E+00 9.71490E+00 3.82663E+01 1.73396E+02 P+ 1 6.53982E+01 6.91650E+00 1.84733E-01 4.17804E-02 1.12360E-02 3.51906E-03 2 9.74858E+00 2.11230E+00 6.49684E-01 4.95929E-01 4.31535E-01 4.25077E-01 3 5.06964E-01 4.40686E-01 2.91385E+00 1.00294E+01 4.01335E+01 1.84729E+02 D- 1 4.30105E+00 1.79570E+00 7.21467E-01 6.58336E-01 7.43287E-01 1.01737E+00 D+ 1 4.23518E+00 1.78293E+00 7.26577E-01 6.67839E-01 7.59708E-01 1.04789E+00 ******************************************************************************************* ******************************************************************************************* As [Ar]4s(2)3d(10)4p(3) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 33.0 Atomic Mass = 75.0 Nuclear Radius = 9.991606E-05 Speed of Light = 137.0359955 S+ P- P+ D- D+ Number of Closed Shells 4 2 2 1 1 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 = -2.25944188007920E+03 Mass Energy = -2.25941290652066E+03 Kinetic Energy = 4.57085178588778E+03 Potential Energy = -4.57088075944632E+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 1.3984373E+08 1.0000000E+00 1.0000000E+00 3 7.9175181E+07 1.0000000E+00 1.0000000E+00 4 4.4826530E+07 1.0000000E+00 1.0000000E+00 5 2.5379390E+07 1.0000000E+00 1.0000000E+00 6 1.4369023E+07 1.0000000E+00 1.0000000E+00 7 8.1352946E+06 1.0000000E+00 1.0000000E+00 8 4.6059513E+06 1.0000000E+00 1.0000000E+00 9 2.6077466E+06 1.0000000E+00 1.0000000E+00 10 1.4764252E+06 1.0000000E+00 1.0000000E+00 11 8.3590612E+05 1.0000000E+00 1.0000000E+00 12 4.7326410E+05 1.0000000E+00 1.0000000E+00 13 2.6794744E+05 1.0000000E+00 1.0000000E+00 14 1.5170352E+05 1.0000000E+00 1.0000000E+00 15 8.5889827E+04 1.0000000E+00 1.0000000E+00 16 4.8628154E+04 1.0000000E+00 1.0000000E+00 17 2.7531751E+04 1.0000000E+00 1.0000000E+00 18 1.5587623E+04 1.0000000E+00 1.0000000E+00 19 8.8252283E+03 1.0000000E+00 1.0000000E+00 20 4.9965703E+03 1.0000000E+00 1.0000000E+00 21 2.8289030E+03 1.0000000E+00 1.0000000E+00 22 1.6016371E+03 1.0000000E+00 1.0000000E+00 23 9.0679719E+02 1.0000000E+00 1.0000000E+00 24 5.1340042E+02 1.0000000E+00 1.0000000E+00 25 2.9067138E+02 1.0000000E+00 1.0000000E+00 26 1.6456911E+02 1.0000000E+00 1.0000000E+00 27 9.3173924E+01 1.0000000E+00 1.0000000E+00 28 5.2752184E+01 1.0000000E+00 1.0000000E+00 29 2.9866649E+01 1.0000000E+00 1.0000000E+00 30 1.6909570E+01 1.0000000E+00 1.0000000E+00 31 9.5736734E+00 1.0000000E+00 1.0000000E+00 32 5.4203167E+00 1.0000000E+00 1.0000000E+00 33 3.0688151E+00 1.0000000E+00 1.0000000E+00 34 1.7374678E+00 1.0000000E+00 1.0000000E+00 35 9.8370036E-01 1.0000000E+00 1.0000000E+00 36 5.5694061E-01 1.0000000E+00 1.0000000E+00 37 3.1532248E-01 1.0000000E+00 1.0000000E+00 38 1.7852580E-01 1.0000000E+00 1.0000000E+00 39 1.0107577E-01 1.0000000E+00 1.0000000E+00 40 5.7225962E-02 1.0000000E+00 1.0000000E+00 41 3.2399564E-02 1.0000000E+00 1.0000000E+00 42 1.8343627E-02 1.0000000E+00 1.0000000E+00 43 1.0385592E-02 1.0000000E+00 1.0000000E+00 44 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.3985048E+08 1.0000000E+00 1.0000000E+00 3 7.8389406E+07 1.0000000E+00 1.0000000E+00 4 4.3939063E+07 1.0000000E+00 1.0000000E+00 5 2.4628854E+07 1.0000000E+00 1.0000000E+00 6 1.3805038E+07 1.0000000E+00 1.0000000E+00 7 7.7380410E+06 1.0000000E+00 1.0000000E+00 8 4.3373497E+06 1.0000000E+00 1.0000000E+00 9 2.4311841E+06 1.0000000E+00 1.0000000E+00 10 1.3627345E+06 1.0000000E+00 1.0000000E+00 11 7.6384401E+05 1.0000000E+00 1.0000000E+00 12 4.2815211E+05 1.0000000E+00 1.0000000E+00 13 2.3998909E+05 1.0000000E+00 1.0000000E+00 14 1.3451940E+05 1.0000000E+00 1.0000000E+00 15 7.5401213E+04 1.0000000E+00 1.0000000E+00 16 4.2264112E+04 1.0000000E+00 1.0000000E+00 17 2.3690005E+04 1.0000000E+00 1.0000000E+00 18 1.3278792E+04 1.0000000E+00 1.0000000E+00 19 7.4430679E+03 1.0000000E+00 1.0000000E+00 20 4.1720105E+03 1.0000000E+00 1.0000000E+00 21 2.3385077E+03 1.0000000E+00 1.0000000E+00 22 1.3107873E+03 1.0000000E+00 1.0000000E+00 23 7.3472638E+02 1.0000000E+00 1.0000000E+00 24 4.1183101E+02 1.0000000E+00 1.0000000E+00 25 2.3084074E+02 1.0000000E+00 1.0000000E+00 26 1.2939154E+02 1.0000000E+00 1.0000000E+00 27 7.2526928E+01 1.0000000E+00 1.0000000E+00 28 4.0653009E+01 1.0000000E+00 1.0000000E+00 29 2.2786945E+01 1.0000000E+00 1.0000000E+00 30 1.2772606E+01 1.0000000E+00 1.0000000E+00 31 7.1593392E+00 1.0000000E+00 1.0000000E+00 32 4.0129740E+00 1.0000000E+00 1.0000000E+00 33 2.2493641E+00 1.0000000E+00 1.0000000E+00 34 1.2608203E+00 1.0000000E+00 1.0000000E+00 35 7.0671871E-01 1.0000000E+00 1.0000000E+00 36 3.9613207E-01 1.0000000E+00 1.0000000E+00 37 2.2204112E-01 1.0000000E+00 1.0000000E+00 38 1.2445915E-01 1.0000000E+00 1.0000000E+00 39 6.9762212E-02 1.0000000E+00 1.0000000E+00 40 3.9103322E-02 1.0000000E+00 1.0000000E+00 41 2.1918310E-02 1.0000000E+00 1.0000000E+00 42 1.2285716E-02 1.0000000E+00 1.0000000E+00 43 6.8864261E-03 1.0000000E+00 1.0000000E+00 44 3.8600000E-03 1.0000000E+00 1.0000000E+00 P+ 1 2.0100000E+07 1.0000000E+00 1.0000000E+00 2 1.1922144E+07 1.0000000E+00 1.0000000E+00 3 7.0715183E+06 1.0000000E+00 1.0000000E+00 4 4.1944110E+06 1.0000000E+00 1.0000000E+00 5 2.4878792E+06 1.0000000E+00 1.0000000E+00 6 1.4756644E+06 1.0000000E+00 1.0000000E+00 7 8.7527777E+05 1.0000000E+00 1.0000000E+00 8 5.1916357E+05 1.0000000E+00 1.0000000E+00 9 3.0793745E+05 1.0000000E+00 1.0000000E+00 10 1.8265048E+05 1.0000000E+00 1.0000000E+00 11 1.0833758E+05 1.0000000E+00 1.0000000E+00 12 6.4259514E+04 1.0000000E+00 1.0000000E+00 13 3.8114984E+04 1.0000000E+00 1.0000000E+00 14 2.2607579E+04 1.0000000E+00 1.0000000E+00 15 1.3409493E+04 1.0000000E+00 1.0000000E+00 16 7.9537267E+03 1.0000000E+00 1.0000000E+00 17 4.7176853E+03 1.0000000E+00 1.0000000E+00 18 2.7982549E+03 1.0000000E+00 1.0000000E+00 19 1.6597611E+03 1.0000000E+00 1.0000000E+00 20 9.8447319E+02 1.0000000E+00 1.0000000E+00 21 5.8393190E+02 1.0000000E+00 1.0000000E+00 22 3.4635424E+02 1.0000000E+00 1.0000000E+00 23 2.0543707E+02 1.0000000E+00 1.0000000E+00 24 1.2185325E+02 1.0000000E+00 1.0000000E+00 25 7.2276219E+01 1.0000000E+00 1.0000000E+00 26 4.2870025E+01 1.0000000E+00 1.0000000E+00 27 2.5427991E+01 1.0000000E+00 1.0000000E+00 28 1.5082396E+01 1.0000000E+00 1.0000000E+00 29 8.9459951E+00 1.0000000E+00 1.0000000E+00 30 5.3062409E+00 1.0000000E+00 1.0000000E+00 31 3.1473517E+00 1.0000000E+00 1.0000000E+00 32 1.8668249E+00 1.0000000E+00 1.0000000E+00 33 1.1072913E+00 1.0000000E+00 1.0000000E+00 34 6.5678041E-01 1.0000000E+00 1.0000000E+00 35 3.8956371E-01 1.0000000E+00 1.0000000E+00 36 2.3106640E-01 1.0000000E+00 1.0000000E+00 37 1.3705507E-01 1.0000000E+00 1.0000000E+00 38 8.1293050E-02 1.0000000E+00 1.0000000E+00 39 4.8218281E-02 1.0000000E+00 1.0000000E+00 40 2.8600263E-02 1.0000000E+00 1.0000000E+00 41 1.6964003E-02 1.0000000E+00 1.0000000E+00 42 1.0062054E-02 1.0000000E+00 1.0000000E+00 43 5.9682218E-03 1.0000000E+00 1.0000000E+00 44 3.5400000E-03 1.0000000E+00 1.0000000E+00 D- 1 8.2000000E+05 1.0000000E+00 1.0000000E+00 2 4.7626832E+05 1.0000000E+00 1.0000000E+00 3 2.7662380E+05 1.0000000E+00 1.0000000E+00 4 1.6066726E+05 1.0000000E+00 1.0000000E+00 5 9.3317959E+04 1.0000000E+00 1.0000000E+00 6 5.4200473E+04 1.0000000E+00 1.0000000E+00 7 3.1480449E+04 1.0000000E+00 1.0000000E+00 8 1.8284318E+04 1.0000000E+00 1.0000000E+00 9 1.0619807E+04 1.0000000E+00 1.0000000E+00 10 6.1681434E+03 1.0000000E+00 1.0000000E+00 11 3.5825504E+03 1.0000000E+00 1.0000000E+00 12 2.0807991E+03 1.0000000E+00 1.0000000E+00 13 1.2085594E+03 1.0000000E+00 1.0000000E+00 14 7.0194945E+02 1.0000000E+00 1.0000000E+00 15 4.0770279E+02 1.0000000E+00 1.0000000E+00 16 2.3679991E+02 1.0000000E+00 1.0000000E+00 17 1.3753695E+02 1.0000000E+00 1.0000000E+00 18 7.9883525E+01 1.0000000E+00 1.0000000E+00 19 4.6397552E+01 1.0000000E+00 1.0000000E+00 20 2.6948395E+01 1.0000000E+00 1.0000000E+00 21 1.5652033E+01 1.0000000E+00 1.0000000E+00 22 9.0909360E+00 1.0000000E+00 1.0000000E+00 23 5.2801523E+00 1.0000000E+00 1.0000000E+00 24 3.0667918E+00 1.0000000E+00 1.0000000E+00 25 1.7812388E+00 1.0000000E+00 1.0000000E+00 26 1.0345702E+00 1.0000000E+00 1.0000000E+00 27 6.0089395E-01 1.0000000E+00 1.0000000E+00 28 3.4900823E-01 1.0000000E+00 1.0000000E+00 29 2.0270923E-01 1.0000000E+00 1.0000000E+00 30 1.1773657E-01 1.0000000E+00 1.0000000E+00 31 6.8383167E-02 1.0000000E+00 1.0000000E+00 32 3.9717971E-02 1.0000000E+00 1.0000000E+00 33 2.3068794E-02 1.0000000E+00 1.0000000E+00 34 1.3398703E-02 1.0000000E+00 1.0000000E+00 35 7.7821678E-03 1.0000000E+00 1.0000000E+00 36 4.5200000E-03 1.0000000E+00 1.0000000E+00 D+ 1 1.6500000E+05 1.0000000E+00 1.0000000E+00 2 9.9977070E+04 1.0000000E+00 1.0000000E+00 3 6.0578269E+04 1.0000000E+00 1.0000000E+00 4 3.6705684E+04 1.0000000E+00 1.0000000E+00 5 2.2240768E+04 1.0000000E+00 1.0000000E+00 6 1.3476162E+04 1.0000000E+00 1.0000000E+00 7 8.1654983E+03 1.0000000E+00 1.0000000E+00 8 4.9476521E+03 1.0000000E+00 1.0000000E+00 9 2.9978894E+03 1.0000000E+00 1.0000000E+00 10 1.8164861E+03 1.0000000E+00 1.0000000E+00 11 1.1006482E+03 1.0000000E+00 1.0000000E+00 12 6.6690656E+02 1.0000000E+00 1.0000000E+00 13 4.0409311E+02 1.0000000E+00 1.0000000E+00 14 2.4484876E+02 1.0000000E+00 1.0000000E+00 15 1.4835916E+02 1.0000000E+00 1.0000000E+00 16 8.9894024E+01 1.0000000E+00 1.0000000E+00 17 5.4468734E+01 1.0000000E+00 1.0000000E+00 18 3.3003784E+01 1.0000000E+00 1.0000000E+00 19 1.9997707E+01 1.0000000E+00 1.0000000E+00 20 1.2117043E+01 1.0000000E+00 1.0000000E+00 21 7.3419786E+00 1.0000000E+00 1.0000000E+00 22 4.4486637E+00 1.0000000E+00 1.0000000E+00 23 2.6955416E+00 1.0000000E+00 1.0000000E+00 24 1.6332869E+00 1.0000000E+00 1.0000000E+00 25 9.8964389E-01 1.0000000E+00 1.0000000E+00 26 5.9964664E-01 1.0000000E+00 1.0000000E+00 27 3.6333887E-01 1.0000000E+00 1.0000000E+00 28 2.2015488E-01 1.0000000E+00 1.0000000E+00 29 1.3339661E-01 1.0000000E+00 1.0000000E+00 30 8.0827890E-02 1.0000000E+00 1.0000000E+00 31 4.8975367E-02 1.0000000E+00 1.0000000E+00 32 2.9675234E-02 1.0000000E+00 1.0000000E+00 33 1.7980866E-02 1.0000000E+00 1.0000000E+00 34 1.0894996E-02 1.0000000E+00 1.0000000E+00 35 6.6015138E-03 1.0000000E+00 1.0000000E+00 36 4.0000000E-03 1.0000000E+00 1.0000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ -4.3921829E+02 -5.7814837E+01 -8.2928579E+00 -7.1280819E-01 ------------ ------------ ------------ ------------ *** Large-Component *** 1 -3.4915387E-07 1.1179086E-07 -4.3695750E-08 -1.2133104E-08 2 2.3531457E-06 -7.5313341E-07 2.9435667E-07 8.1733056E-08 3 -5.6350806E-07 1.8043657E-07 -7.0557298E-08 -1.9596658E-08 4 5.0716534E-06 -1.6240700E-06 6.3483689E-07 1.7628105E-07 5 1.6007117E-06 -5.1273363E-07 2.0029138E-07 5.5594139E-08 6 9.6171294E-06 -3.0829115E-06 1.2053195E-06 3.3471017E-07 7 8.3787016E-06 -2.6864981E-06 1.0498621E-06 2.9145981E-07 8 2.0757723E-05 -6.6654299E-06 2.6066369E-06 7.2388781E-07 9 2.6955135E-05 -8.6556599E-06 3.3833540E-06 9.3932880E-07 10 5.1882410E-05 -1.6697179E-05 6.5317465E-06 1.8140268E-06 11 8.0846911E-05 -2.6014764E-05 1.0171495E-05 2.8240616E-06 12 1.4623939E-04 -4.7188406E-05 1.8465911E-05 5.1287129E-06 13 2.5024789E-04 -8.0732206E-05 3.1575856E-05 8.7673081E-06 14 4.5516491E-04 -1.4730554E-04 5.7665273E-05 1.6016749E-05 15 8.2392074E-04 -2.6664835E-04 1.0433408E-04 2.8971122E-05 16 1.5348612E-03 -4.9856389E-04 1.9525941E-04 5.4237188E-05 17 2.8785807E-03 -9.3608671E-04 3.6650233E-04 1.0177918E-04 18 5.4716076E-03 -1.7891752E-03 7.0129719E-04 1.9482032E-04 19 1.0431755E-02 -3.4280350E-03 1.3439955E-03 3.7330992E-04 20 1.9876768E-02 -6.6107897E-03 2.5967974E-03 7.2160540E-04 21 3.7406244E-02 -1.2653801E-02 4.9796734E-03 1.3839168E-03 22 6.8514464E-02 -2.3945751E-02 9.4665584E-03 2.6329907E-03 23 1.1896502E-01 -4.3843004E-02 1.7447213E-02 4.8565993E-03 24 1.8784592E-01 -7.6095250E-02 3.0677716E-02 8.5566522E-03 25 2.5051395E-01 -1.1876363E-01 4.8909700E-02 1.3681656E-02 26 2.4853932E-01 -1.5023592E-01 6.4198140E-02 1.8058601E-02 27 1.4969138E-01 -1.0864698E-01 4.8589950E-02 1.3756539E-02 28 4.0118802E-02 7.4321632E-02 -3.8203505E-02 -1.0990313E-02 29 3.3080002E-03 3.6922426E-01 -2.2799583E-01 -6.7829288E-02 30 3.9192694E-04 4.6372744E-01 -3.9318413E-01 -1.2260577E-01 31 -2.5131609E-05 2.2600257E-01 -2.1551924E-01 -6.7779023E-02 32 -2.9573598E-05 3.9263382E-02 2.2585203E-01 8.4667307E-02 33 -3.0563966E-05 3.5678833E-03 5.3941710E-01 2.2596537E-01 34 -5.3535868E-06 9.6432781E-04 4.2751170E-01 2.8989245E-01 35 -1.9987885E-06 4.8228484E-05 1.1771439E-01 1.4991206E-01 36 7.8081763E-07 6.6698873E-05 9.6332690E-03 -1.6598917E-01 37 1.4973772E-08 -6.2385922E-05 -1.2944752E-04 -4.1080788E-01 38 2.6704397E-07 3.2373320E-05 8.6328052E-04 -4.2624251E-01 39 -1.6305455E-08 -3.0287265E-05 -4.1416446E-04 -2.2225445E-01 40 5.0039273E-08 1.8569980E-05 3.7388598E-04 -4.1498076E-02 41 -1.9728093E-08 -1.1986243E-05 -2.2918209E-04 -2.0169539E-03 42 9.5031523E-09 6.4155939E-06 1.2633037E-04 9.8647737E-05 43 -3.5717054E-09 -2.5906106E-06 -5.1620847E-05 -5.9355265E-05 44 8.6055113E-10 5.7210898E-07 1.1480890E-05 1.4470668E-05 *** Small-Component *** 45 -1.5841992E-06 5.0711541E-07 -1.9825637E-07 -5.5057386E-08 46 3.2996039E-06 -1.0574294E-06 4.1357857E-07 1.1487554E-07 47 4.0908004E-06 -1.3027087E-06 5.0824665E-07 1.4101597E-07 48 9.4567695E-06 -3.0337018E-06 1.1870003E-06 3.2975821E-07 49 1.4560187E-05 -4.6406450E-06 1.8111275E-06 5.0258057E-07 50 2.4048781E-05 -7.7129307E-06 3.0175482E-06 8.3826172E-07 51 3.7006583E-05 -1.1802058E-05 4.6071099E-06 1.2785823E-06 52 5.7515491E-05 -1.8438249E-05 7.2122935E-06 2.0033751E-06 53 8.7839717E-05 -2.8030307E-05 1.0944367E-05 3.0375956E-06 54 1.3436951E-04 -4.3061498E-05 1.6841153E-05 4.6776474E-06 55 2.0446090E-04 -6.5284645E-05 2.5495088E-05 7.0766750E-06 56 3.1121811E-04 -9.9726752E-05 3.8998300E-05 1.0831167E-05 57 4.7270690E-04 -1.5105557E-04 5.9001872E-05 1.6378267E-05 58 7.1791765E-04 -2.3014581E-04 8.9996436E-05 2.4994112E-05 59 1.0885848E-03 -3.4837221E-04 1.3610869E-04 3.7784900E-05 60 1.6490550E-03 -5.2956368E-04 2.0711393E-04 5.7520037E-05 61 2.4914854E-03 -8.0017900E-04 3.1279039E-04 8.6841852E-05 62 3.7514306E-03 -1.2113482E-03 4.7407320E-04 1.3166986E-04 63 5.6106610E-03 -1.8199510E-03 7.1236161E-04 1.9781864E-04 64 8.3006455E-03 -2.7254241E-03 1.0688800E-03 2.9695750E-04 65 1.2041456E-02 -4.0217565E-03 1.5801843E-03 4.3905343E-04 66 1.6892997E-02 -5.8318606E-03 2.3020674E-03 6.4015188E-04 67 2.2359066E-02 -8.1432763E-03 3.2359748E-03 9.0058096E-04 68 2.6808304E-02 -1.0739052E-02 4.3237615E-03 1.2057632E-03 69 2.7071786E-02 -1.2699741E-02 5.2239395E-03 1.4610670E-03 70 2.0291569E-02 -1.2150293E-02 5.1873139E-03 1.4589798E-03 71 9.2172911E-03 -6.6447966E-03 2.9713059E-03 8.4120620E-04 72 1.8607813E-03 3.3841286E-03 -1.7348564E-03 -4.9888519E-04 73 1.1538950E-04 1.2745208E-02 -7.8584988E-03 -2.3374608E-03 74 1.0202945E-05 1.2061664E-02 -1.0214517E-02 -3.1847891E-03 75 -4.7432610E-07 4.4249630E-03 -4.2169469E-03 -1.3262945E-03 76 -4.5710754E-07 5.7852163E-04 3.3216848E-03 1.2449610E-03 77 -3.2515631E-07 3.9501777E-05 5.9721026E-03 2.5013178E-03 78 -5.5566221E-08 8.0658771E-06 3.5618389E-03 2.4148240E-03 79 -4.5407526E-09 2.8197167E-07 7.3796354E-04 9.3969987E-04 80 -2.1390915E-09 3.2965654E-07 4.5450674E-05 -7.8282276E-04 81 4.2815899E-09 -2.3235846E-07 -4.6590161E-07 -1.4578531E-03 82 -2.3063157E-09 9.4243000E-08 2.3100300E-06 -1.1381698E-03 83 2.0876126E-09 -6.6321363E-08 -8.3546496E-07 -4.4655643E-04 84 -1.3569280E-09 3.1763115E-08 5.6747205E-07 -6.2736924E-05 85 8.7805662E-10 -1.5959947E-08 -2.6209029E-07 -2.2946861E-06 86 -4.8696132E-10 6.7783146E-09 1.0888446E-07 8.4591391E-08 87 2.0982110E-10 -2.2214744E-09 -3.3566965E-08 -3.8291357E-08 88 -5.1719397E-11 4.1249270E-10 5.6426099E-09 7.0282243E-09 2P- 3P- 4P- -5.1426022E+01 -6.0812772E+00 -3.3598520E-01 ------------ ------------ ------------ *** Large-Component *** 1 -4.6031219E-08 1.8029014E-08 -3.9907828E-09 2 9.5082897E-08 -3.7236487E-08 8.2427350E-09 3 1.4103841E-07 -5.5271613E-08 1.2232567E-08 4 2.9049190E-07 -1.1374892E-07 2.5180322E-08 5 4.8155405E-07 -1.8871486E-07 4.1766455E-08 6 7.7001471E-07 -3.0150456E-07 6.6744287E-08 7 1.2230762E-06 -4.7933711E-07 1.0608419E-07 8 1.8942687E-06 -7.4166321E-07 1.6418970E-07 9 2.9465740E-06 -1.1549331E-06 2.5559026E-07 10 4.5501677E-06 -1.7813273E-06 3.9437409E-07 11 7.0471129E-06 -2.7627367E-06 6.1136974E-07 12 1.0948790E-05 -4.2856536E-06 9.4887999E-07 13 1.7082027E-05 -6.6991000E-06 1.4823615E-06 14 2.7005692E-05 -1.0569326E-05 2.3403754E-06 15 4.3199851E-05 -1.6951502E-05 3.7507421E-06 16 7.1221859E-05 -2.7876743E-05 6.1736905E-06 17 1.2105069E-04 -4.7544841E-05 1.0519741E-05 18 2.1787626E-04 -8.5349369E-05 1.8905161E-05 19 4.1467306E-04 -1.6312397E-04 3.6098878E-05 20 8.5149319E-04 -3.3438995E-04 7.4084084E-05 21 1.8523182E-03 -7.3096094E-04 1.6184306E-04 22 4.2517745E-03 -1.6797485E-03 3.7233623E-04 23 9.9543785E-03 -3.9624515E-03 8.7838519E-04 24 2.3325110E-02 -9.3642131E-03 2.0792398E-03 25 5.2685911E-02 -2.1543911E-02 4.7914217E-03 26 1.1012994E-01 -4.6232487E-02 1.0318778E-02 27 1.9839097E-01 -8.6351364E-02 1.9348922E-02 28 2.8772933E-01 -1.3104530E-01 2.9565123E-02 29 2.9097384E-01 -1.3223485E-01 2.9773573E-02 30 1.6441043E-01 -2.0499358E-03 -2.6816831E-03 31 4.2225536E-02 2.2262535E-01 -6.0989907E-02 32 4.8574179E-03 3.7480158E-01 -1.0342717E-01 33 7.9964664E-04 3.4086856E-01 -1.0707381E-01 34 2.4482171E-04 1.5914121E-01 -4.6656238E-02 35 6.2507227E-06 3.1108812E-02 9.1615812E-02 36 2.2949871E-05 3.0376999E-03 2.4303916E-01 37 -2.1696935E-05 6.1283161E-04 3.2608647E-01 38 1.1003364E-05 2.8040321E-04 2.9895335E-01 39 -1.0720223E-05 6.9036021E-05 1.6921719E-01 40 6.2503617E-06 4.2434180E-05 4.2528323E-02 41 -4.1862699E-06 -1.1846803E-05 2.3514412E-03 42 2.3364474E-06 7.5265346E-06 7.8817233E-05 43 -1.0162144E-06 -3.2893752E-06 -2.6410990E-05 44 2.5145966E-07 8.0622871E-07 5.4946268E-06 *** Small-Component *** 45 -4.0277291E-09 1.5130350E-09 -3.3948579E-10 46 1.5366983E-08 -5.7796376E-09 1.2961887E-09 47 1.7695309E-08 -7.4577053E-09 1.6140262E-09 48 5.0741075E-08 -1.8962922E-08 4.2612450E-09 49 7.1348936E-08 -2.9387759E-08 6.4051408E-09 50 1.3698353E-07 -5.1546805E-08 1.1557729E-08 51 2.0017744E-07 -8.1503787E-08 1.7827595E-08 52 3.5207618E-07 -1.3360793E-07 2.9878405E-08 53 5.2964502E-07 -2.1374116E-07 4.6883423E-08 54 9.1532147E-07 -3.5010024E-07 7.8103957E-08 55 1.4305841E-06 -5.7303325E-07 1.2599712E-07 56 2.4936867E-06 -9.6065465E-07 2.1385570E-07 57 4.0867448E-06 -1.6268160E-06 3.5845781E-07 58 7.2879587E-06 -2.8251601E-06 6.2778777E-07 59 1.2579171E-05 -4.9832404E-06 1.0999245E-06 60 2.3107169E-05 -9.0030906E-06 1.9978655E-06 61 4.1869683E-05 -1.6533396E-05 3.6540809E-06 62 7.9141181E-05 -3.0958569E-05 6.8638385E-06 63 1.4886631E-04 -5.8706395E-05 1.2986876E-05 64 2.8682931E-04 -1.1262719E-04 2.4960868E-05 65 5.4926714E-04 -2.1694240E-04 4.8030076E-05 66 1.0555728E-03 -4.1705750E-04 9.2454017E-05 67 1.9861104E-03 -7.9078544E-04 1.7529766E-04 68 3.6394922E-03 -1.4611972E-03 3.2445252E-04 69 6.3139622E-03 -2.5821710E-03 5.7428497E-04 70 1.0028361E-02 -4.2107218E-03 9.3982679E-04 71 1.3636801E-02 -5.9378383E-03 1.3305550E-03 72 1.4871549E-02 -6.7773575E-03 1.5291390E-03 73 1.1276667E-02 -5.1315647E-03 1.1556004E-03 74 4.7580797E-03 -5.4469966E-05 -7.9010226E-05 75 8.9633931E-04 4.8617282E-03 -1.3314987E-03 76 6.2256849E-05 6.1272214E-03 -1.6905641E-03 77 -1.3345071E-06 4.1722998E-03 -1.3104302E-03 78 -5.0168065E-06 1.4587038E-03 -4.2768712E-04 79 -4.5797657E-06 2.1378675E-04 6.2814769E-04 80 -2.9960283E-06 1.5859348E-05 1.2478552E-03 81 -1.9303899E-06 2.5126386E-06 1.2535467E-03 82 -1.4038014E-06 9.2660195E-07 8.6041100E-04 83 -6.2273928E-07 1.9986745E-07 3.6462356E-04 84 -8.2471765E-07 1.3806032E-07 6.8575543E-05 85 3.4242195E-08 -1.7278656E-08 2.8419977E-06 86 -6.7277513E-07 6.3295210E-08 4.0688273E-08 87 2.9607705E-07 -2.7060320E-08 -4.4288172E-09 88 -3.9015630E-07 3.3159936E-08 -1.4925172E-08 2P+ 3P+ 4P+ -5.0068187E+01 -5.8853131E+00 -3.2553378E-01 ------------ ------------ ------------ *** Large-Component *** 1 5.8359894E-09 -2.2959673E-09 5.0632097E-10 2 -7.5701708E-09 3.0003432E-09 -6.6275780E-10 3 1.9290164E-08 -7.6468783E-09 1.6892262E-09 4 -7.4007967E-09 3.0693257E-09 -6.8482370E-10 5 3.8443386E-08 -1.5390967E-08 3.4076755E-09 6 2.3255193E-08 -8.5770976E-09 1.8624841E-09 7 1.0563940E-07 -4.2402947E-08 9.3926042E-09 8 1.7250592E-07 -6.6070358E-08 1.4480721E-08 9 4.2525371E-07 -1.6972539E-07 3.7545989E-08 10 9.0297869E-07 -3.4966666E-07 7.6824434E-08 11 2.0617971E-06 -8.1787508E-07 1.8068699E-07 12 4.7171797E-06 -1.8380785E-06 4.0438933E-07 13 1.0904182E-05 -4.3080408E-06 9.5084127E-07 14 2.5703376E-05 -1.0055126E-05 2.2141142E-06 15 6.0670530E-05 -2.3921193E-05 5.2768426E-06 16 1.4523363E-04 -5.6980116E-05 1.2554099E-05 17 3.4724869E-04 -1.3690250E-04 3.0194086E-05 18 8.3424871E-04 -3.2840120E-04 7.2392058E-05 19 1.9892680E-03 -7.8655098E-04 1.7351715E-04 20 4.7000690E-03 -1.8625517E-03 4.1092003E-04 21 1.0857218E-02 -4.3348669E-03 9.5732275E-04 22 2.4312977E-02 -9.8024465E-03 2.1670301E-03 23 5.1739630E-02 -2.1241671E-02 4.7061586E-03 24 1.0147061E-01 -4.2713052E-02 9.4903520E-03 25 1.7469553E-01 -7.5982967E-02 1.6949596E-02 26 2.5170384E-01 -1.1407550E-01 2.5588194E-02 27 2.7565840E-01 -1.2866303E-01 2.8980410E-02 28 1.9529955E-01 -5.7537660E-02 1.1559519E-02 29 7.6922014E-02 1.1145379E-01 -3.1327698E-02 30 1.4985162E-02 2.8076359E-01 -7.5806123E-02 31 1.9862673E-03 3.4927100E-01 -9.9029920E-02 32 5.5887011E-04 2.6974884E-01 -8.9341585E-02 33 1.2647365E-04 1.1611325E-01 -2.5310449E-02 34 3.9345251E-05 2.4206115E-02 9.3007238E-02 35 -1.0864310E-05 2.9408575E-03 2.1527359E-01 36 3.9691722E-06 7.1348909E-04 2.8890794E-01 37 -8.0249339E-06 2.8182592E-04 2.8454214E-01 38 2.6217460E-06 1.2864585E-04 1.9717573E-01 39 -3.4503795E-06 4.5336206E-05 7.8760453E-02 40 1.8703965E-06 7.2026751E-06 1.2486138E-02 41 -1.2230523E-06 1.5500500E-07 4.1735952E-04 42 6.5753474E-07 3.7771605E-08 -1.0979145E-05 43 -2.7034249E-07 -1.0815360E-08 7.2888081E-06 44 6.2341906E-08 2.3041596E-10 -2.0297654E-06 *** Small-Component *** 45 2.0196739E-08 -8.0310070E-09 1.7754816E-09 46 -1.3074979E-08 5.5752594E-09 -1.2514346E-09 47 4.6755510E-08 -1.9362792E-08 4.3193515E-09 48 1.6610557E-08 -4.6708985E-09 9.3571334E-10 49 9.2791779E-08 -3.9276857E-08 8.8025058E-09 50 1.3428538E-07 -4.8407404E-08 1.0451641E-08 51 2.8089643E-07 -1.1613536E-07 2.5897635E-08 52 5.3338033E-07 -2.0083522E-07 4.3835746E-08 53 1.0042145E-06 -4.0512592E-07 8.9855646E-08 54 1.9602407E-06 -7.5317441E-07 1.6519083E-07 55 3.6847292E-06 -1.4658921E-06 3.2410948E-07 56 7.1446227E-06 -2.7734377E-06 6.0974410E-07 57 1.3520018E-05 -5.3410967E-06 1.1790140E-06 58 2.6022992E-05 -1.0156354E-05 2.2356161E-06 59 4.9398860E-05 -1.9454602E-05 4.2911755E-06 60 9.4461139E-05 -3.6990870E-05 8.1480168E-06 61 1.7888425E-04 -7.0419183E-05 1.5528634E-05 62 3.3849399E-04 -1.3302113E-04 2.9316915E-05 63 6.3240555E-04 -2.4966205E-04 5.5067167E-05 64 1.1661685E-03 -4.6140413E-04 1.0177732E-04 65 2.0955031E-03 -8.3541431E-04 1.8446410E-04 66 3.6409323E-03 -1.4658350E-03 3.2399942E-04 67 5.9994110E-03 -2.4597494E-03 5.4488305E-04 68 9.0955975E-03 -3.8239907E-03 8.4953050E-04 69 1.2089346E-02 -5.2524917E-03 1.1715410E-03 70 1.3435881E-02 -6.0834202E-03 1.3644287E-03 71 1.1344459E-02 -5.2909121E-03 1.1916691E-03 72 6.1936867E-03 -1.8252458E-03 3.6684189E-04 73 1.8791872E-03 2.7176575E-03 -7.6381329E-04 74 2.8195387E-04 5.2758501E-03 -1.4243293E-03 75 2.8765023E-05 5.0555082E-03 -1.4332513E-03 76 6.2379062E-06 3.0072771E-03 -9.9591328E-04 77 1.0825415E-06 9.9698748E-04 -2.1732829E-04 78 2.6281328E-07 1.6007023E-04 6.1493352E-04 79 -5.7253432E-08 1.4977933E-05 1.0962142E-03 80 1.6949316E-08 2.7977952E-06 1.1330458E-03 81 -2.5234039E-08 8.5166357E-07 8.5943959E-04 82 6.8062022E-09 2.9897083E-07 4.5867241E-04 83 -6.6766930E-09 8.1425072E-08 1.4110317E-04 84 2.9128381E-09 9.8013291E-09 1.7228135E-05 85 -1.5042500E-09 2.4948878E-10 4.4345645E-07 86 6.4836992E-10 -1.5051015E-11 -8.9549806E-09 87 -2.1773711E-10 1.2868943E-11 4.5800077E-09 88 4.2655355E-11 -4.8787533E-12 -9.8192074E-10 3D- -2.0999198E+00 ------------ *** Large-Component *** 1 -1.1597901E-08 2 1.0614312E-08 3 -3.3317722E-08 4 1.1208007E-09 5 -7.1754852E-08 6 -7.1704338E-08 7 -2.2550355E-07 8 -4.1768199E-07 9 -1.0223930E-06 10 -2.4022058E-06 11 -6.2474565E-06 12 -1.7045693E-05 13 -4.9033849E-05 14 -1.4546330E-04 15 -4.3751292E-04 16 -1.3157971E-03 17 -3.8697761E-03 18 -1.0677913E-02 19 -2.6542971E-02 20 -5.9369462E-02 21 -1.1656540E-01 22 -1.8611676E-01 23 -2.3703985E-01 24 -2.4822436E-01 25 -2.1104671E-01 26 -1.3518007E-01 27 -5.9859755E-02 28 -1.6664184E-02 29 -2.7436847E-03 30 -4.1144486E-04 31 -5.5261319E-05 32 -1.0153317E-05 33 3.1870316E-06 34 -1.9175340E-06 35 8.6601918E-07 36 -2.2441519E-07 *** Small-Component *** 37 -1.2129279E-09 38 -2.8396060E-11 39 -3.2103630E-09 40 -4.2764871E-09 41 -1.2001553E-08 42 -2.6377275E-08 43 -6.2816882E-08 44 -1.5065838E-07 45 -3.6389663E-07 46 -8.9378454E-07 47 -2.1999897E-06 48 -5.4487353E-06 49 -1.3436536E-05 50 -3.2878280E-05 51 -7.9183351E-05 52 -1.8707885E-04 53 -4.2705613E-04 54 -9.0799057E-04 55 -1.7311993E-03 56 -2.9615815E-03 57 -4.4402651E-03 58 -5.4091490E-03 59 -5.2534687E-03 60 -4.1939551E-03 61 -2.7179245E-03 62 -1.3267499E-03 63 -4.4764256E-04 64 -9.4880117E-05 65 -1.1844952E-05 66 -1.3213667E-06 67 -1.1960023E-07 68 -7.8308505E-09 69 8.4756626E-09 70 2.3883727E-09 71 2.6939484E-10 72 1.8657332E-09 3D+ -2.0704659E+00 ------------ *** Large-Component *** 1 2.7704562E-09 2 -1.1923603E-09 3 1.2998879E-08 4 1.4222122E-08 5 7.1479953E-08 6 1.7263972E-07 7 5.6228825E-07 8 1.6069767E-06 9 4.9113341E-06 10 1.4512336E-05 11 4.3430023E-05 12 1.2739546E-04 13 3.7042047E-04 14 1.0548326E-03 15 2.9280913E-03 16 7.6811397E-03 17 1.8458107E-02 18 4.0290910E-02 19 7.9888664E-02 20 1.3654333E-01 21 1.9228011E-01 22 2.2563913E-01 23 2.2533249E-01 24 1.8668425E-01 25 1.2029642E-01 26 5.6457828E-02 27 1.7882774E-02 28 3.6026039E-03 29 5.9473947E-04 30 1.1236997E-04 31 1.6160010E-05 32 4.0942404E-07 33 3.5340915E-07 34 -1.9539874E-07 35 8.5482466E-08 36 -2.0956743E-08 *** Small-Component *** 37 6.2232016E-09 38 -1.1731184E-09 39 2.0765042E-08 40 2.2452411E-08 41 8.2861007E-08 42 1.6729149E-07 43 4.3471352E-07 44 9.9681718E-07 45 2.4230884E-06 46 5.6713997E-06 47 1.3393291E-05 48 3.0903456E-05 49 7.0509615E-05 50 1.5723637E-04 51 3.4126898E-04 52 6.9905683E-04 53 1.3103779E-03 54 2.2296581E-03 55 3.4446876E-03 56 4.5856748E-03 57 5.0281386E-03 58 4.5936708E-03 59 3.5711920E-03 60 2.3031724E-03 61 1.1552886E-03 62 4.2206018E-04 63 1.0406253E-04 64 1.6318598E-05 65 2.0969942E-06 66 3.0840697E-07 67 3.4524846E-08 68 6.8046111E-10 69 4.5761891E-10 70 -1.9676420E-10 71 6.6694092E-11 72 -1.2535088E-11 RADIAL MOMENTS Sym Orb

S+ 1 2.32072E+03 3.34734E+01 4.54765E-02 2.78415E-03 2.14708E-04 2.00066E-05 2 2.38764E+02 7.44592E+00 2.01784E-01 4.80896E-02 1.30820E-02 4.02319E-03 3 3.75928E+01 2.39506E+00 5.95578E-01 4.08155E-01 3.12499E-01 2.65506E-01 4 3.12298E+00 6.52433E-01 1.99253E+00 4.57815E+00 1.19397E+01 3.51612E+01 P- 1 7.70559E+01 7.37524E+00 1.74641E-01 3.74496E-02 9.56098E-03 2.84412E-03 2 1.17291E+01 2.26462E+00 6.09250E-01 4.35458E-01 3.53839E-01 3.24524E-01 3 7.38290E-01 5.12500E-01 2.52420E+00 7.50122E+00 2.58405E+01 1.02284E+02 P+ 1 7.01362E+01 7.16418E+00 1.78279E-01 3.88990E-02 1.00892E-02 3.04663E-03 2 1.07133E+01 2.21646E+00 6.19106E-01 4.49519E-01 3.71079E-01 3.45809E-01 3 6.79067E-01 5.02681E-01 2.56964E+00 7.77534E+00 2.72792E+01 1.09990E+02 D- 1 4.87903E+00 1.92107E+00 6.67412E-01 5.57243E-01 5.69710E-01 6.99824E-01 D+ 1 4.80300E+00 1.90742E+00 6.71975E-01 5.64906E-01 5.81572E-01 7.19446E-01 ******************************************************************************************* ******************************************************************************************* Se [Ar]4s(2)3d(10)4p(4) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 34.0 Atomic Mass = 80.0 Nuclear Radius = 1.017864E-04 Speed of Light = 137.0359955 S+ P- P+ D- D+ Number of Closed Shells 4 2 2 1 1 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 = -2.42858823383656E+03 Mass Energy = -2.42855364603673E+03 Kinetic Energy = 4.91639419532197E+03 Potential Energy = -4.91642878312180E+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 1.3984373E+08 1.0000000E+00 1.0000000E+00 3 7.9175181E+07 1.0000000E+00 1.0000000E+00 4 4.4826530E+07 1.0000000E+00 1.0000000E+00 5 2.5379390E+07 1.0000000E+00 1.0000000E+00 6 1.4369023E+07 1.0000000E+00 1.0000000E+00 7 8.1352946E+06 1.0000000E+00 1.0000000E+00 8 4.6059513E+06 1.0000000E+00 1.0000000E+00 9 2.6077466E+06 1.0000000E+00 1.0000000E+00 10 1.4764252E+06 1.0000000E+00 1.0000000E+00 11 8.3590612E+05 1.0000000E+00 1.0000000E+00 12 4.7326410E+05 1.0000000E+00 1.0000000E+00 13 2.6794744E+05 1.0000000E+00 1.0000000E+00 14 1.5170352E+05 1.0000000E+00 1.0000000E+00 15 8.5889827E+04 1.0000000E+00 1.0000000E+00 16 4.8628154E+04 1.0000000E+00 1.0000000E+00 17 2.7531751E+04 1.0000000E+00 1.0000000E+00 18 1.5587623E+04 1.0000000E+00 1.0000000E+00 19 8.8252283E+03 1.0000000E+00 1.0000000E+00 20 4.9965703E+03 1.0000000E+00 1.0000000E+00 21 2.8289030E+03 1.0000000E+00 1.0000000E+00 22 1.6016371E+03 1.0000000E+00 1.0000000E+00 23 9.0679719E+02 1.0000000E+00 1.0000000E+00 24 5.1340042E+02 1.0000000E+00 1.0000000E+00 25 2.9067138E+02 1.0000000E+00 1.0000000E+00 26 1.6456911E+02 1.0000000E+00 1.0000000E+00 27 9.3173924E+01 1.0000000E+00 1.0000000E+00 28 5.2752184E+01 1.0000000E+00 1.0000000E+00 29 2.9866649E+01 1.0000000E+00 1.0000000E+00 30 1.6909570E+01 1.0000000E+00 1.0000000E+00 31 9.5736734E+00 1.0000000E+00 1.0000000E+00 32 5.4203167E+00 1.0000000E+00 1.0000000E+00 33 3.0688151E+00 1.0000000E+00 1.0000000E+00 34 1.7374678E+00 1.0000000E+00 1.0000000E+00 35 9.8370036E-01 1.0000000E+00 1.0000000E+00 36 5.5694061E-01 1.0000000E+00 1.0000000E+00 37 3.1532248E-01 1.0000000E+00 1.0000000E+00 38 1.7852580E-01 1.0000000E+00 1.0000000E+00 39 1.0107577E-01 1.0000000E+00 1.0000000E+00 40 5.7225962E-02 1.0000000E+00 1.0000000E+00 41 3.2399564E-02 1.0000000E+00 1.0000000E+00 42 1.8343627E-02 1.0000000E+00 1.0000000E+00 43 1.0385592E-02 1.0000000E+00 1.0000000E+00 44 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.3985048E+08 1.0000000E+00 1.0000000E+00 3 7.8389406E+07 1.0000000E+00 1.0000000E+00 4 4.3939063E+07 1.0000000E+00 1.0000000E+00 5 2.4628854E+07 1.0000000E+00 1.0000000E+00 6 1.3805038E+07 1.0000000E+00 1.0000000E+00 7 7.7380410E+06 1.0000000E+00 1.0000000E+00 8 4.3373497E+06 1.0000000E+00 1.0000000E+00 9 2.4311841E+06 1.0000000E+00 1.0000000E+00 10 1.3627345E+06 1.0000000E+00 1.0000000E+00 11 7.6384401E+05 1.0000000E+00 1.0000000E+00 12 4.2815211E+05 1.0000000E+00 1.0000000E+00 13 2.3998909E+05 1.0000000E+00 1.0000000E+00 14 1.3451940E+05 1.0000000E+00 1.0000000E+00 15 7.5401213E+04 1.0000000E+00 1.0000000E+00 16 4.2264112E+04 1.0000000E+00 1.0000000E+00 17 2.3690005E+04 1.0000000E+00 1.0000000E+00 18 1.3278792E+04 1.0000000E+00 1.0000000E+00 19 7.4430679E+03 1.0000000E+00 1.0000000E+00 20 4.1720105E+03 1.0000000E+00 1.0000000E+00 21 2.3385077E+03 1.0000000E+00 1.0000000E+00 22 1.3107873E+03 1.0000000E+00 1.0000000E+00 23 7.3472638E+02 1.0000000E+00 1.0000000E+00 24 4.1183101E+02 1.0000000E+00 1.0000000E+00 25 2.3084074E+02 1.0000000E+00 1.0000000E+00 26 1.2939154E+02 1.0000000E+00 1.0000000E+00 27 7.2526928E+01 1.0000000E+00 1.0000000E+00 28 4.0653009E+01 1.0000000E+00 1.0000000E+00 29 2.2786945E+01 1.0000000E+00 1.0000000E+00 30 1.2772606E+01 1.0000000E+00 1.0000000E+00 31 7.1593392E+00 1.0000000E+00 1.0000000E+00 32 4.0129740E+00 1.0000000E+00 1.0000000E+00 33 2.2493641E+00 1.0000000E+00 1.0000000E+00 34 1.2608203E+00 1.0000000E+00 1.0000000E+00 35 7.0671871E-01 1.0000000E+00 1.0000000E+00 36 3.9613207E-01 1.0000000E+00 1.0000000E+00 37 2.2204112E-01 1.0000000E+00 1.0000000E+00 38 1.2445915E-01 1.0000000E+00 1.0000000E+00 39 6.9762212E-02 1.0000000E+00 1.0000000E+00 40 3.9103322E-02 1.0000000E+00 1.0000000E+00 41 2.1918310E-02 1.0000000E+00 1.0000000E+00 42 1.2285716E-02 1.0000000E+00 1.0000000E+00 43 6.8864261E-03 1.0000000E+00 1.0000000E+00 44 3.8600000E-03 1.0000000E+00 1.0000000E+00 P+ 1 2.0100000E+07 1.0000000E+00 1.0000000E+00 2 1.1922144E+07 1.0000000E+00 1.0000000E+00 3 7.0715183E+06 1.0000000E+00 1.0000000E+00 4 4.1944110E+06 1.0000000E+00 1.0000000E+00 5 2.4878792E+06 1.0000000E+00 1.0000000E+00 6 1.4756644E+06 1.0000000E+00 1.0000000E+00 7 8.7527777E+05 1.0000000E+00 1.0000000E+00 8 5.1916357E+05 1.0000000E+00 1.0000000E+00 9 3.0793745E+05 1.0000000E+00 1.0000000E+00 10 1.8265048E+05 1.0000000E+00 1.0000000E+00 11 1.0833758E+05 1.0000000E+00 1.0000000E+00 12 6.4259514E+04 1.0000000E+00 1.0000000E+00 13 3.8114984E+04 1.0000000E+00 1.0000000E+00 14 2.2607579E+04 1.0000000E+00 1.0000000E+00 15 1.3409493E+04 1.0000000E+00 1.0000000E+00 16 7.9537267E+03 1.0000000E+00 1.0000000E+00 17 4.7176853E+03 1.0000000E+00 1.0000000E+00 18 2.7982549E+03 1.0000000E+00 1.0000000E+00 19 1.6597611E+03 1.0000000E+00 1.0000000E+00 20 9.8447319E+02 1.0000000E+00 1.0000000E+00 21 5.8393190E+02 1.0000000E+00 1.0000000E+00 22 3.4635424E+02 1.0000000E+00 1.0000000E+00 23 2.0543707E+02 1.0000000E+00 1.0000000E+00 24 1.2185325E+02 1.0000000E+00 1.0000000E+00 25 7.2276219E+01 1.0000000E+00 1.0000000E+00 26 4.2870025E+01 1.0000000E+00 1.0000000E+00 27 2.5427991E+01 1.0000000E+00 1.0000000E+00 28 1.5082396E+01 1.0000000E+00 1.0000000E+00 29 8.9459951E+00 1.0000000E+00 1.0000000E+00 30 5.3062409E+00 1.0000000E+00 1.0000000E+00 31 3.1473517E+00 1.0000000E+00 1.0000000E+00 32 1.8668249E+00 1.0000000E+00 1.0000000E+00 33 1.1072913E+00 1.0000000E+00 1.0000000E+00 34 6.5678041E-01 1.0000000E+00 1.0000000E+00 35 3.8956371E-01 1.0000000E+00 1.0000000E+00 36 2.3106640E-01 1.0000000E+00 1.0000000E+00 37 1.3705507E-01 1.0000000E+00 1.0000000E+00 38 8.1293050E-02 1.0000000E+00 1.0000000E+00 39 4.8218281E-02 1.0000000E+00 1.0000000E+00 40 2.8600263E-02 1.0000000E+00 1.0000000E+00 41 1.6964003E-02 1.0000000E+00 1.0000000E+00 42 1.0062054E-02 1.0000000E+00 1.0000000E+00 43 5.9682218E-03 1.0000000E+00 1.0000000E+00 44 3.5400000E-03 1.0000000E+00 1.0000000E+00 D- 1 8.2000000E+05 1.0000000E+00 1.0000000E+00 2 4.7626832E+05 1.0000000E+00 1.0000000E+00 3 2.7662380E+05 1.0000000E+00 1.0000000E+00 4 1.6066726E+05 1.0000000E+00 1.0000000E+00 5 9.3317959E+04 1.0000000E+00 1.0000000E+00 6 5.4200473E+04 1.0000000E+00 1.0000000E+00 7 3.1480449E+04 1.0000000E+00 1.0000000E+00 8 1.8284318E+04 1.0000000E+00 1.0000000E+00 9 1.0619807E+04 1.0000000E+00 1.0000000E+00 10 6.1681434E+03 1.0000000E+00 1.0000000E+00 11 3.5825504E+03 1.0000000E+00 1.0000000E+00 12 2.0807991E+03 1.0000000E+00 1.0000000E+00 13 1.2085594E+03 1.0000000E+00 1.0000000E+00 14 7.0194945E+02 1.0000000E+00 1.0000000E+00 15 4.0770279E+02 1.0000000E+00 1.0000000E+00 16 2.3679991E+02 1.0000000E+00 1.0000000E+00 17 1.3753695E+02 1.0000000E+00 1.0000000E+00 18 7.9883525E+01 1.0000000E+00 1.0000000E+00 19 4.6397552E+01 1.0000000E+00 1.0000000E+00 20 2.6948395E+01 1.0000000E+00 1.0000000E+00 21 1.5652033E+01 1.0000000E+00 1.0000000E+00 22 9.0909360E+00 1.0000000E+00 1.0000000E+00 23 5.2801523E+00 1.0000000E+00 1.0000000E+00 24 3.0667918E+00 1.0000000E+00 1.0000000E+00 25 1.7812388E+00 1.0000000E+00 1.0000000E+00 26 1.0345702E+00 1.0000000E+00 1.0000000E+00 27 6.0089395E-01 1.0000000E+00 1.0000000E+00 28 3.4900823E-01 1.0000000E+00 1.0000000E+00 29 2.0270923E-01 1.0000000E+00 1.0000000E+00 30 1.1773657E-01 1.0000000E+00 1.0000000E+00 31 6.8383167E-02 1.0000000E+00 1.0000000E+00 32 3.9717971E-02 1.0000000E+00 1.0000000E+00 33 2.3068794E-02 1.0000000E+00 1.0000000E+00 34 1.3398703E-02 1.0000000E+00 1.0000000E+00 35 7.7821678E-03 1.0000000E+00 1.0000000E+00 36 4.5200000E-03 1.0000000E+00 1.0000000E+00 D+ 1 1.6500000E+05 1.0000000E+00 1.0000000E+00 2 9.9977070E+04 1.0000000E+00 1.0000000E+00 3 6.0578269E+04 1.0000000E+00 1.0000000E+00 4 3.6705684E+04 1.0000000E+00 1.0000000E+00 5 2.2240768E+04 1.0000000E+00 1.0000000E+00 6 1.3476162E+04 1.0000000E+00 1.0000000E+00 7 8.1654983E+03 1.0000000E+00 1.0000000E+00 8 4.9476521E+03 1.0000000E+00 1.0000000E+00 9 2.9978894E+03 1.0000000E+00 1.0000000E+00 10 1.8164861E+03 1.0000000E+00 1.0000000E+00 11 1.1006482E+03 1.0000000E+00 1.0000000E+00 12 6.6690656E+02 1.0000000E+00 1.0000000E+00 13 4.0409311E+02 1.0000000E+00 1.0000000E+00 14 2.4484876E+02 1.0000000E+00 1.0000000E+00 15 1.4835916E+02 1.0000000E+00 1.0000000E+00 16 8.9894024E+01 1.0000000E+00 1.0000000E+00 17 5.4468734E+01 1.0000000E+00 1.0000000E+00 18 3.3003784E+01 1.0000000E+00 1.0000000E+00 19 1.9997707E+01 1.0000000E+00 1.0000000E+00 20 1.2117043E+01 1.0000000E+00 1.0000000E+00 21 7.3419786E+00 1.0000000E+00 1.0000000E+00 22 4.4486637E+00 1.0000000E+00 1.0000000E+00 23 2.6955416E+00 1.0000000E+00 1.0000000E+00 24 1.6332869E+00 1.0000000E+00 1.0000000E+00 25 9.8964389E-01 1.0000000E+00 1.0000000E+00 26 5.9964664E-01 1.0000000E+00 1.0000000E+00 27 3.6333887E-01 1.0000000E+00 1.0000000E+00 28 2.2015488E-01 1.0000000E+00 1.0000000E+00 29 1.3339661E-01 1.0000000E+00 1.0000000E+00 30 8.0827890E-02 1.0000000E+00 1.0000000E+00 31 4.8975367E-02 1.0000000E+00 1.0000000E+00 32 2.9675234E-02 1.0000000E+00 1.0000000E+00 33 1.7980866E-02 1.0000000E+00 1.0000000E+00 34 1.0894996E-02 1.0000000E+00 1.0000000E+00 35 6.6015138E-03 1.0000000E+00 1.0000000E+00 36 4.0000000E-03 1.0000000E+00 1.0000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ -4.6836754E+02 -6.2370104E+01 -9.2222440E+00 -8.6277343E-01 ------------ ------------ ------------ ------------ *** Large-Component *** 1 -4.2235215E-07 1.3583513E-07 5.3650673E-08 -1.5757112E-08 2 2.5820575E-06 -8.3017198E-07 -3.2785627E-07 9.6291671E-08 3 -5.5143809E-07 1.7725487E-07 7.0148669E-08 -2.0593529E-08 4 5.5341367E-06 -1.7801595E-06 -7.0325537E-07 2.0653745E-07 5 1.9194144E-06 -6.1817848E-07 -2.4357766E-07 7.1578536E-08 6 1.0572673E-05 -3.4043873E-06 -1.3454191E-06 3.9512080E-07 7 9.4646580E-06 -3.0503816E-06 -1.2032462E-06 3.5351912E-07 8 2.2930034E-05 -7.3959587E-06 -2.9240622E-06 8.5873161E-07 9 3.0015996E-05 -9.6886419E-06 -3.8231312E-06 1.1232431E-06 10 5.7284632E-05 -1.8519544E-05 -7.3248686E-06 2.1511997E-06 11 8.9323905E-05 -2.8895129E-05 -1.1405521E-05 3.3510669E-06 12 1.6085190E-04 -5.2146291E-05 -2.0633325E-05 6.0599520E-06 13 2.7474175E-04 -8.9119240E-05 -3.5190162E-05 1.0339729E-05 14 4.9810972E-04 -1.6199013E-04 -6.4121654E-05 1.8833510E-05 15 8.9946642E-04 -2.9274957E-04 -1.1565226E-04 3.3983260E-05 16 1.6711242E-03 -5.4562888E-04 -2.1607611E-04 6.3470395E-05 17 3.1266441E-03 -1.0228283E-03 -4.0437252E-04 1.1883023E-04 18 5.9284810E-03 -1.9495219E-03 -7.7267031E-04 2.2700005E-04 19 1.1273793E-02 -3.7292456E-03 -1.4766175E-03 4.3400673E-04 20 2.1415654E-02 -7.1707899E-03 -2.8484375E-03 8.3713987E-04 21 4.0140951E-02 -1.3692712E-02 -5.4439062E-03 1.6009867E-03 22 7.3094497E-02 -2.5797679E-02 -1.0317589E-02 3.0354220E-03 23 1.2577069E-01 -4.6980736E-02 -1.8903791E-02 5.5691947E-03 24 1.9566635E-01 -8.0747138E-02 -3.2980355E-02 9.7330707E-03 25 2.5441546E-01 -1.2395967E-01 -5.1736824E-02 1.5326070E-02 26 2.4179510E-01 -1.5097876E-01 -6.5609966E-02 1.9540006E-02 27 1.3571133E-01 -9.6166213E-02 -4.3566186E-02 1.3083056E-02 28 3.2400010E-02 1.0639729E-01 5.5813752E-02 -1.7088191E-02 29 2.4062021E-03 4.0000398E-01 2.5956253E-01 -8.2332187E-02 30 2.6815027E-04 4.4797500E-01 3.9908769E-01 -1.3298492E-01 31 -5.2915613E-07 1.9371472E-01 1.6947307E-01 -5.5473443E-02 32 -6.1247237E-05 2.9695230E-02 -2.8670127E-01 1.1291599E-01 33 -4.0790377E-06 2.6888613E-03 -5.6607081E-01 2.7018797E-01 34 -2.1457749E-05 8.6488391E-04 -3.8085352E-01 3.1574735E-01 35 1.2124716E-05 -1.0158612E-04 -8.1256140E-02 8.6557458E-02 36 -8.9470207E-06 1.2073594E-04 -6.2133163E-03 -2.6753804E-01 37 7.4624757E-06 -1.2160728E-04 4.5794900E-04 -4.5863600E-01 38 -5.0366324E-06 7.1676313E-05 -1.1482968E-03 -3.8309039E-01 39 3.7576391E-06 -5.9322222E-05 5.9095810E-04 -1.4814410E-01 40 -2.5049709E-06 3.8539990E-05 -4.8189947E-04 -1.7738715E-02 41 1.5695864E-06 -2.4363320E-05 2.9891513E-04 -7.5629480E-04 42 -8.4343493E-07 1.3071161E-05 -1.6287152E-04 1.3172544E-04 43 3.4171700E-07 -5.2793393E-06 6.6332788E-05 -5.4340637E-05 44 -7.5852253E-08 1.1673502E-06 -1.4748316E-05 1.1890576E-05 *** Small-Component *** 45 -1.6424174E-06 5.2797337E-07 2.0875089E-07 -6.1296109E-08 46 3.0869198E-06 -9.9324874E-07 -3.9339148E-07 1.1547820E-07 47 4.8126856E-06 -1.5423487E-06 -6.0602147E-07 1.7814241E-07 48 9.8171268E-06 -3.1603498E-06 -1.2529577E-06 3.6773586E-07 49 1.6116526E-05 -5.1669835E-06 -2.0316905E-06 5.9714843E-07 50 2.5862097E-05 -8.3237913E-06 -3.2985084E-06 9.6817344E-07 51 4.0411314E-05 -1.2960808E-05 -5.0996632E-06 1.4987066E-06 52 6.2368598E-05 -2.0068155E-05 -7.9473979E-06 2.3329748E-06 53 9.5566476E-05 -3.0662646E-05 -1.2072498E-05 3.5475235E-06 54 1.4589806E-04 -4.6937732E-05 -1.8577923E-05 5.4541461E-06 55 2.2209173E-04 -7.1291260E-05 -2.8084347E-05 8.2519017E-06 56 3.3775426E-04 -1.0866828E-04 -4.2992205E-05 1.2622854E-05 57 5.1283958E-04 -1.6473543E-04 -6.4927443E-05 1.9076094E-05 58 7.7832783E-04 -2.5056378E-04 -9.9102136E-05 2.9099547E-05 59 1.1794807E-03 -3.7942218E-04 -1.4961843E-04 4.3957263E-05 60 1.7853613E-03 -5.7588252E-04 -2.2776396E-04 6.6885059E-05 61 2.6950836E-03 -8.7018289E-04 -3.4339395E-04 1.0088974E-04 62 4.0533609E-03 -1.3152323E-03 -5.2046429E-04 1.5286361E-04 63 6.0530277E-03 -1.9750072E-03 -7.8060120E-04 2.2937929E-04 64 8.9351767E-03 -2.9513536E-03 -1.1704251E-03 3.4389096E-04 65 1.2918030E-02 -4.3475421E-03 -1.7255173E-03 5.0733176E-04 66 1.8024962E-02 -6.2793335E-03 -2.5074029E-03 7.3749713E-04 67 2.3648804E-02 -8.7241415E-03 -3.5049916E-03 1.0323694E-03 68 2.7942504E-02 -1.1395623E-02 -4.6479914E-03 1.3714202E-03 69 2.7514470E-02 -1.3257938E-02 -5.5265915E-03 1.6368580E-03 70 1.9756699E-02 -1.2214912E-02 -5.3033021E-03 1.5792242E-03 71 8.3630940E-03 -5.8887128E-03 -2.6680156E-03 8.0121896E-04 72 1.5038920E-03 4.8546246E-03 2.5402741E-03 -7.7746942E-04 73 8.3956253E-05 1.3810998E-02 8.9481159E-03 -2.8377116E-03 74 6.9645341E-06 1.1653808E-02 1.0369057E-02 -3.4547879E-03 75 1.3645206E-08 3.7931824E-03 3.3169474E-03 -1.0859403E-03 76 -9.2794221E-07 4.3761953E-04 -4.2170243E-03 1.6604765E-03 77 -2.9104809E-08 2.9738526E-05 -6.2673951E-03 2.9908593E-03 78 -1.9107896E-07 7.2526417E-06 -3.1731992E-03 2.6302352E-03 79 8.4723956E-08 -6.6882231E-07 -5.0941550E-04 5.4261874E-04 80 -4.8341869E-08 5.9260928E-07 -2.9316234E-05 -1.2617643E-03 81 3.0830380E-08 -4.4830809E-07 1.6301969E-06 -1.6275899E-03 82 -1.6461702E-08 2.0325281E-07 -3.0699192E-06 -1.0229476E-03 83 9.5751891E-09 -1.2746302E-07 1.1897575E-06 -2.9765395E-04 84 -5.0720916E-09 6.3820499E-08 -7.3007730E-07 -2.6817426E-05 85 2.5375803E-09 -3.1201753E-08 3.4094071E-07 -8.6052689E-07 86 -1.1124465E-09 1.3114021E-08 -1.3988413E-07 1.1286507E-07 87 3.8738733E-10 -4.2275312E-09 4.2920932E-08 -3.5047531E-08 88 -8.0607095E-11 7.6837583E-10 -7.1969022E-09 5.7738061E-09 2P- 3P- 4P- -5.5712886E+01 -6.8817320E+00 -4.0152838E-01 ------------ ------------ ------------ *** Large-Component *** 1 -4.8367183E-08 1.9215608E-08 -4.6512882E-09 2 8.7633486E-08 -3.4812963E-08 8.4273019E-09 3 1.7842401E-07 -7.0903368E-08 1.7159482E-08 4 3.0224370E-07 -1.2006367E-07 2.9065218E-08 5 5.6737593E-07 -2.2546855E-07 5.4565967E-08 6 8.4484797E-07 -3.3560796E-07 8.1245162E-08 7 1.4052260E-06 -5.5843889E-07 1.3514586E-07 8 2.1172935E-06 -8.4105856E-07 2.0361137E-07 9 3.3504393E-06 -1.3315533E-06 3.2223320E-07 10 5.1181670E-06 -2.0330350E-06 4.9219990E-07 11 7.9768436E-06 -3.1705628E-06 7.6722776E-07 12 1.2339633E-05 -4.9014089E-06 1.1867297E-06 13 1.9294669E-05 -7.6706794E-06 1.8560472E-06 14 3.0449191E-05 -1.2095144E-05 2.9288329E-06 15 4.8742045E-05 -1.9385640E-05 4.6903018E-06 16 8.0291842E-05 -3.1903370E-05 7.7266821E-06 17 1.3646557E-04 -5.4320191E-05 1.3142420E-05 18 2.4542974E-04 -9.7618597E-05 2.3646958E-05 19 4.6674938E-04 -1.8609919E-04 4.5034282E-05 20 9.5698533E-04 -3.8161321E-04 9.2463560E-05 21 2.0776190E-03 -8.3137083E-04 2.0130133E-04 22 4.7549041E-03 -1.9078142E-03 4.6252415E-04 23 1.1088550E-02 -4.4800608E-03 1.0862381E-03 24 2.5841544E-02 -1.0546687E-02 2.5618889E-03 25 5.7891370E-02 -2.4078107E-02 5.8595947E-03 26 1.1930911E-01 -5.1042010E-02 1.2470490E-02 27 2.1038908E-01 -9.3394362E-02 2.2917142E-02 28 2.9526871E-01 -1.3743678E-01 3.3982933E-02 29 2.8130714E-01 -1.2609904E-01 3.0906277E-02 30 1.4556335E-01 2.5570393E-02 -1.0970980E-02 31 3.3484868E-02 2.5429873E-01 -7.6692175E-02 32 3.5776480E-03 3.9003834E-01 -1.2088997E-01 33 6.7355352E-04 3.2095886E-01 -1.1672884E-01 34 1.5462476E-04 1.2578695E-01 -2.1018793E-02 35 8.4091868E-06 1.9871783E-02 1.5231333E-01 36 2.1510265E-06 1.8817587E-03 2.9483598E-01 37 -1.0999539E-05 6.9355613E-04 3.3449381E-01 38 1.3241043E-06 1.8045551E-04 2.5655499E-01 39 -4.5357855E-06 1.4972278E-04 1.1214307E-01 40 2.0186548E-06 -2.5741027E-05 1.8412725E-02 41 -1.4329568E-06 2.6901712E-05 5.7414341E-04 42 8.0015536E-07 -1.5056333E-05 -4.8970697E-05 43 -3.5019420E-07 6.5725855E-06 2.8714310E-05 44 8.7444756E-08 -1.6275538E-06 -8.1100114E-06 *** Small-Component *** 45 -4.7765834E-09 1.8651821E-09 -4.5762037E-10 46 1.6682520E-08 -6.5070947E-09 1.5978378E-09 47 2.0902435E-08 -8.5716408E-09 2.0248852E-09 48 5.7753399E-08 -2.2485654E-08 5.5296199E-09 49 8.3251716E-08 -3.3809507E-08 8.0474692E-09 50 1.5798614E-07 -6.1708815E-08 1.5138573E-08 51 2.3269716E-07 -9.4037010E-08 2.2470919E-08 52 4.0686289E-07 -1.5950869E-07 3.9024343E-08 53 6.1360330E-07 -2.4704283E-07 5.9214309E-08 54 1.0557584E-06 -4.1535446E-07 1.0136587E-07 55 1.6502360E-06 -6.6238373E-07 1.5918595E-07 56 2.8653678E-06 -1.1309528E-06 2.7539996E-07 57 4.6895147E-06 -1.8777342E-06 4.5228519E-07 58 8.3327999E-06 -3.2986355E-06 8.0176453E-07 59 1.4351413E-05 -5.7362886E-06 1.3842500E-06 60 2.6277290E-05 -1.0428781E-05 2.5311919E-06 61 4.7498481E-05 -1.8966865E-05 4.5833820E-06 62 8.9527746E-05 -3.5612778E-05 8.6355392E-06 63 1.6799915E-04 -6.7097376E-05 1.6230635E-05 64 3.2284310E-04 -1.2878786E-04 3.1216247E-05 65 6.1656135E-04 -2.4688953E-04 5.9775225E-05 66 1.1809698E-03 -4.7393836E-04 1.1491144E-04 67 2.2128719E-03 -8.9424237E-04 2.1681662E-04 68 4.0325858E-03 -1.6459481E-03 3.9982574E-04 69 6.9382242E-03 -2.8861138E-03 7.0236371E-04 70 1.0864556E-02 -4.6490966E-03 1.1358918E-03 71 1.4461319E-02 -6.4223634E-03 1.5759944E-03 72 1.5259827E-02 -7.1079854E-03 1.7576794E-03 73 1.0897974E-02 -4.8928812E-03 1.1994885E-03 74 4.2062628E-03 7.5046054E-04 -3.2058746E-04 75 7.0398791E-04 5.5532089E-03 -1.6742555E-03 76 4.0410887E-05 6.3764157E-03 -1.9760015E-03 77 -3.4557792E-06 3.9287885E-03 -1.4286422E-03 78 -6.2274707E-06 1.1531496E-03 -1.9290681E-04 79 -4.8041857E-06 1.3672326E-04 1.0444041E-03 80 -3.2677282E-06 9.9318571E-06 1.5138066E-03 81 -1.9845488E-06 2.8300147E-06 1.2858557E-03 82 -1.5077345E-06 6.4294534E-07 7.3836546E-04 83 -6.4012369E-07 3.7619620E-07 2.4162833E-04 84 -8.7567673E-07 3.0486829E-08 2.9661584E-05 85 3.9906220E-08 2.9596471E-08 6.9552599E-07 86 -7.0964024E-07 4.4974040E-08 -8.0523278E-08 87 3.1213293E-07 -2.1300642E-08 3.5373310E-08 88 -4.1068537E-07 3.3188045E-08 -2.5089415E-08 2P+ 3P+ 4P+ -5.4163051E+01 -6.6530875E+00 -3.8644424E-01 ------------ ------------ ------------ *** Large-Component *** 1 6.7202328E-09 -2.6809940E-09 6.4495401E-10 2 -8.7013839E-09 3.4917702E-09 -8.3855724E-10 3 2.2162711E-08 -8.8950817E-09 2.1361901E-09 4 -8.4656777E-09 3.5221898E-09 -8.3709992E-10 5 4.4002108E-08 -1.7800145E-08 4.2655086E-09 6 2.6745174E-08 -1.0147813E-08 2.4786851E-09 7 1.2030461E-07 -4.8773079E-08 1.1681446E-08 8 1.9711497E-07 -7.7011636E-08 1.8648212E-08 9 4.8219252E-07 -1.9462953E-07 4.6680174E-08 10 1.0262346E-06 -4.0443339E-07 9.7694197E-08 11 2.3294823E-06 -9.3579370E-07 2.2478376E-07 12 5.3348944E-06 -2.1129727E-06 5.0972612E-07 13 1.2281006E-05 -4.9182125E-06 1.1826713E-06 14 2.8951507E-05 -1.1504134E-05 2.7730975E-06 15 6.8141684E-05 -2.7249588E-05 6.5572652E-06 16 1.6303951E-04 -6.4951245E-05 1.5651147E-05 17 3.8896035E-04 -1.5559468E-04 3.7461793E-05 18 9.3340179E-04 -3.7307453E-04 8.9902472E-05 19 2.2202627E-03 -8.9113902E-04 2.1469886E-04 20 5.2331642E-03 -2.1063788E-03 5.0792755E-04 21 1.2042612E-02 -4.8848592E-03 1.1785640E-03 22 2.6838373E-02 -1.1004125E-02 2.6592699E-03 23 5.6665195E-02 -2.3681636E-02 5.7349308E-03 24 1.0971873E-01 -4.7076845E-02 1.1440165E-02 25 1.8538558E-01 -8.2280071E-02 2.0077070E-02 26 2.5993515E-01 -1.2047786E-01 2.9592426E-02 27 2.7130026E-01 -1.2747391E-01 3.1347711E-02 28 1.7901633E-01 -3.8918782E-02 7.3952605E-03 29 6.4482692E-02 1.4045294E-01 -4.2974824E-02 30 1.1339199E-02 3.0442033E-01 -9.0937169E-02 31 1.5761773E-03 3.5306816E-01 -1.1424532E-01 32 4.2197061E-04 2.4444611E-01 -9.2150503E-02 33 9.6378466E-05 8.8828763E-02 4.7176093E-03 34 1.0684998E-05 1.5320183E-02 1.4766737E-01 35 -5.2343809E-06 1.9217049E-03 2.6172422E-01 36 -4.8165099E-06 6.8127663E-04 3.0204531E-01 37 -3.5089687E-06 2.6090288E-04 2.5622884E-01 38 -1.6568279E-06 1.5820084E-04 1.4515992E-01 39 -5.9119428E-07 1.8276986E-05 4.2836643E-02 40 -2.4150841E-09 1.6771383E-05 4.1620864E-03 41 -3.1805501E-08 -8.3140110E-06 9.0735468E-05 42 2.2847058E-08 4.5488821E-06 -1.6862416E-05 43 -1.1074663E-08 -1.8803253E-06 6.9729544E-06 44 5.0440925E-10 4.3984888E-07 -1.5584801E-06 *** Small-Component *** 45 2.2565278E-08 -9.0799479E-09 2.1787202E-09 46 -1.4318999E-08 6.1061232E-09 -1.4411710E-09 47 5.1825088E-08 -2.1558699E-08 5.1239110E-09 48 1.9764425E-08 -6.1835908E-09 1.6068854E-09 49 1.0256672E-07 -4.3446280E-08 1.0273629E-08 50 1.5305165E-07 -5.7021855E-08 1.4000144E-08 51 3.1207748E-07 -1.2963340E-07 3.0823110E-08 52 6.0286138E-07 -2.3228687E-07 5.6454992E-08 53 1.1205721E-06 -4.5621440E-07 1.0910057E-07 54 2.2065150E-06 -8.6383585E-07 2.0895817E-07 55 4.1204070E-06 -1.6586710E-06 3.9797048E-07 56 8.0232294E-06 -3.1668251E-06 7.6423463E-07 57 1.5129804E-05 -6.0565107E-06 1.4556490E-06 58 2.9177189E-05 -1.1567084E-05 2.7882111E-06 59 5.5274874E-05 -2.2074593E-05 5.3103375E-06 60 1.0576106E-04 -4.2050802E-05 1.0131290E-05 61 1.9997543E-04 -7.9864437E-05 1.9223947E-05 62 3.7821994E-04 -1.5089928E-04 3.6356163E-05 63 7.0520874E-04 -2.8257259E-04 6.8064588E-05 64 1.2977442E-03 -5.2147258E-04 1.2572200E-04 65 2.3236149E-03 -9.4103455E-04 2.2699821E-04 66 4.0186785E-03 -1.6451908E-03 3.9750623E-04 67 6.5705759E-03 -2.7420590E-03 6.6392521E-04 68 9.8355556E-03 -4.2146175E-03 1.0240399E-03 69 1.2830224E-02 -5.6879055E-03 1.3877171E-03 70 1.3876966E-02 -6.4252772E-03 1.5780347E-03 71 1.1166643E-02 -5.2427252E-03 1.2891963E-03 72 5.6779429E-03 -1.2358471E-03 2.3513403E-04 73 1.5754519E-03 3.4252097E-03 -1.0478972E-03 74 2.1336633E-04 5.7205103E-03 -1.7086405E-03 75 2.2826763E-05 5.1105839E-03 -1.6534702E-03 76 4.7092397E-06 2.7252595E-03 -1.0272458E-03 77 8.2548045E-07 7.6273089E-04 4.0450946E-05 78 7.2187487E-08 1.0131055E-04 9.7634147E-04 79 -2.7754704E-08 9.7875458E-06 1.3327549E-03 80 -1.8135373E-08 2.6714675E-06 1.1845713E-03 81 -1.1144152E-08 7.8843336E-07 7.7392277E-04 82 -3.4396680E-09 3.6772975E-07 3.3767337E-04 83 -1.3809920E-09 3.2952428E-08 7.6743988E-05 84 2.3869534E-10 2.2991352E-08 5.7428374E-06 85 -2.0104228E-10 -8.7344368E-09 9.6367568E-08 86 1.1223219E-10 3.6660593E-09 -1.3771220E-08 87 -4.1170593E-11 -1.1627171E-09 4.3822230E-09 88 5.6550964E-12 2.0903887E-10 -7.5322562E-10 3D- -2.6203525E+00 ------------ *** Large-Component *** 1 1.4041414E-08 2 -1.2806955E-08 3 4.0223055E-08 4 -1.0472647E-09 5 8.6299583E-08 6 8.8036052E-08 7 2.7092920E-07 8 5.0990850E-07 9 1.2304417E-06 10 2.9208795E-06 11 7.5298978E-06 12 2.0634439E-05 13 5.9043142E-05 14 1.7519746E-04 15 5.2501557E-04 16 1.5757362E-03 17 4.6039710E-03 18 1.2568358E-02 19 3.0854642E-02 20 6.8186314E-02 21 1.3059959E-01 22 2.0126807E-01 23 2.4787353E-01 24 2.4961267E-01 25 1.9643519E-01 26 1.1009956E-01 27 4.0591609E-02 28 9.0494587E-03 29 1.3714486E-03 30 2.1900389E-04 31 3.6913920E-05 32 -3.4903696E-06 33 3.6026664E-06 34 -2.1224355E-06 35 9.6960846E-07 36 -2.5369502E-07 *** Small-Component *** 37 1.4181148E-09 38 3.2685223E-10 39 3.3183124E-09 40 6.3455357E-09 41 1.2984834E-08 42 3.4763884E-08 43 7.2941356E-08 44 1.8852277E-07 45 4.3472639E-07 46 1.0941763E-06 47 2.6492039E-06 48 6.6058353E-06 49 1.6180013E-05 50 3.9611006E-05 51 9.5024112E-05 52 2.2405296E-04 53 5.0811206E-04 54 1.0688224E-03 55 2.0124943E-03 56 3.4014542E-03 57 4.9749205E-03 58 5.8495205E-03 59 5.4935458E-03 60 4.2173487E-03 61 2.5296479E-03 62 1.0804664E-03 63 3.0344082E-04 64 5.1445365E-05 65 5.8771149E-06 66 6.8218865E-07 67 7.2413851E-08 68 -1.8898095E-08 69 1.3068271E-09 70 -7.0884390E-09 71 1.3104344E-09 72 -2.2605613E-09 3D+ -2.5847323E+00 ------------ *** Large-Component *** 1 -3.3646457E-09 2 1.3449482E-09 3 -1.5503175E-08 4 -1.8040431E-08 5 -8.5244950E-08 6 -2.1217012E-07 7 -6.7558299E-07 8 -1.9528475E-06 9 -5.9162132E-06 10 -1.7535291E-05 11 -5.2253255E-05 12 -1.5322220E-04 13 -4.4421297E-04 14 -1.2626171E-03 15 -3.4865525E-03 16 -9.0644886E-03 17 -2.1529716E-02 18 -4.6521204E-02 19 -9.0714666E-02 20 -1.5058257E-01 21 -2.0526008E-01 22 -2.3378813E-01 23 -2.2395254E-01 24 -1.7117787E-01 25 -9.7027520E-02 26 -3.8398860E-02 27 -9.9053195E-03 28 -1.7702873E-03 29 -3.2520890E-04 30 -6.4715333E-05 31 -2.9034541E-06 32 -2.7771970E-06 33 1.6925387E-06 34 -9.6784302E-07 35 4.2014776E-07 36 -1.0299323E-07 *** Small-Component *** 37 -7.4290957E-09 38 1.0616152E-09 39 -2.4292474E-08 40 -2.8529790E-08 41 -9.7885820E-08 42 -2.0521676E-07 43 -5.2022380E-07 44 -1.2090932E-06 45 -2.9134014E-06 46 -6.8449738E-06 47 -1.6100120E-05 48 -3.7147944E-05 49 -8.4525056E-05 50 -1.8817038E-04 51 -4.0631315E-04 52 -8.2490756E-04 53 -1.5283955E-03 54 -2.5744581E-03 55 -3.9115957E-03 56 -5.0572659E-03 57 -5.3676165E-03 58 -4.7596180E-03 59 -3.5493749E-03 60 -2.1119030E-03 61 -9.3183590E-04 62 -2.8706118E-04 63 -5.7641059E-05 64 -8.0189108E-06 65 -1.1466141E-06 66 -1.7764850E-07 67 -6.1801537E-09 68 -4.6342301E-09 69 2.2010616E-09 70 -9.8086535E-10 71 3.3183284E-10 72 -6.3356138E-11 RADIAL MOMENTS Sym Orb

S+ 1 2.47912E+03 3.45655E+01 4.40631E-02 2.61431E-03 1.95399E-04 1.76463E-05 2 2.57060E+02 7.71407E+00 1.95025E-01 4.49234E-02 1.18095E-02 3.50882E-03 3 4.12559E+01 2.50265E+00 5.71051E-01 3.74915E-01 2.74622E-01 2.22896E-01 4 3.80878E+00 7.10817E-01 1.83742E+00 3.88262E+00 9.28045E+00 2.49749E+01 P- 1 8.29691E+01 7.64500E+00 1.68516E-01 3.48650E-02 8.58646E-03 2.46330E-03 2 1.29237E+01 2.37518E+00 5.81207E-01 3.95706E-01 3.05608E-01 2.65794E-01 3 9.44021E-01 5.72566E-01 2.27187E+00 6.06117E+00 1.86973E+01 6.61892E+01 P+ 1 7.50476E+01 7.41221E+00 1.72251E-01 3.63014E-02 9.09148E-03 2.65001E-03 2 1.17369E+01 2.32198E+00 5.91023E-01 4.09029E-01 3.21116E-01 2.83935E-01 3 8.61380E-01 5.60563E-01 2.31666E+00 6.30549E+00 1.98545E+01 7.17759E+01 D- 1 5.48252E+00 2.04368E+00 6.22326E-01 4.80482E-01 4.50703E-01 5.04516E-01 D+ 1 5.39461E+00 2.02896E+00 6.26531E-01 4.86946E-01 4.59808E-01 5.18153E-01 ******************************************************************************************* ******************************************************************************************* Br [Ar]4s(2)3d(10)4p(5) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 35.0 Atomic Mass = 79.0 Nuclear Radius = 1.014187E-04 Speed of Light = 137.0359955 S+ P- P+ D- D+ Number of Closed Shells 4 2 2 1 1 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 = -2.60502343653236E+03 Mass Energy = -2.60498399240281E+03 Kinetic Energy = 5.27729186882082E+03 Potential Energy = -5.27733131295037E+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 1.3984373E+08 1.0000000E+00 1.0000000E+00 3 7.9175181E+07 1.0000000E+00 1.0000000E+00 4 4.4826530E+07 1.0000000E+00 1.0000000E+00 5 2.5379390E+07 1.0000000E+00 1.0000000E+00 6 1.4369023E+07 1.0000000E+00 1.0000000E+00 7 8.1352946E+06 1.0000000E+00 1.0000000E+00 8 4.6059513E+06 1.0000000E+00 1.0000000E+00 9 2.6077466E+06 1.0000000E+00 1.0000000E+00 10 1.4764252E+06 1.0000000E+00 1.0000000E+00 11 8.3590612E+05 1.0000000E+00 1.0000000E+00 12 4.7326410E+05 1.0000000E+00 1.0000000E+00 13 2.6794744E+05 1.0000000E+00 1.0000000E+00 14 1.5170352E+05 1.0000000E+00 1.0000000E+00 15 8.5889827E+04 1.0000000E+00 1.0000000E+00 16 4.8628154E+04 1.0000000E+00 1.0000000E+00 17 2.7531751E+04 1.0000000E+00 1.0000000E+00 18 1.5587623E+04 1.0000000E+00 1.0000000E+00 19 8.8252283E+03 1.0000000E+00 1.0000000E+00 20 4.9965703E+03 1.0000000E+00 1.0000000E+00 21 2.8289030E+03 1.0000000E+00 1.0000000E+00 22 1.6016371E+03 1.0000000E+00 1.0000000E+00 23 9.0679719E+02 1.0000000E+00 1.0000000E+00 24 5.1340042E+02 1.0000000E+00 1.0000000E+00 25 2.9067138E+02 1.0000000E+00 1.0000000E+00 26 1.6456911E+02 1.0000000E+00 1.0000000E+00 27 9.3173924E+01 1.0000000E+00 1.0000000E+00 28 5.2752184E+01 1.0000000E+00 1.0000000E+00 29 2.9866649E+01 1.0000000E+00 1.0000000E+00 30 1.6909570E+01 1.0000000E+00 1.0000000E+00 31 9.5736734E+00 1.0000000E+00 1.0000000E+00 32 5.4203167E+00 1.0000000E+00 1.0000000E+00 33 3.0688151E+00 1.0000000E+00 1.0000000E+00 34 1.7374678E+00 1.0000000E+00 1.0000000E+00 35 9.8370036E-01 1.0000000E+00 1.0000000E+00 36 5.5694061E-01 1.0000000E+00 1.0000000E+00 37 3.1532248E-01 1.0000000E+00 1.0000000E+00 38 1.7852580E-01 1.0000000E+00 1.0000000E+00 39 1.0107577E-01 1.0000000E+00 1.0000000E+00 40 5.7225962E-02 1.0000000E+00 1.0000000E+00 41 3.2399564E-02 1.0000000E+00 1.0000000E+00 42 1.8343627E-02 1.0000000E+00 1.0000000E+00 43 1.0385592E-02 1.0000000E+00 1.0000000E+00 44 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.3985048E+08 1.0000000E+00 1.0000000E+00 3 7.8389406E+07 1.0000000E+00 1.0000000E+00 4 4.3939063E+07 1.0000000E+00 1.0000000E+00 5 2.4628854E+07 1.0000000E+00 1.0000000E+00 6 1.3805038E+07 1.0000000E+00 1.0000000E+00 7 7.7380410E+06 1.0000000E+00 1.0000000E+00 8 4.3373497E+06 1.0000000E+00 1.0000000E+00 9 2.4311841E+06 1.0000000E+00 1.0000000E+00 10 1.3627345E+06 1.0000000E+00 1.0000000E+00 11 7.6384401E+05 1.0000000E+00 1.0000000E+00 12 4.2815211E+05 1.0000000E+00 1.0000000E+00 13 2.3998909E+05 1.0000000E+00 1.0000000E+00 14 1.3451940E+05 1.0000000E+00 1.0000000E+00 15 7.5401213E+04 1.0000000E+00 1.0000000E+00 16 4.2264112E+04 1.0000000E+00 1.0000000E+00 17 2.3690005E+04 1.0000000E+00 1.0000000E+00 18 1.3278792E+04 1.0000000E+00 1.0000000E+00 19 7.4430679E+03 1.0000000E+00 1.0000000E+00 20 4.1720105E+03 1.0000000E+00 1.0000000E+00 21 2.3385077E+03 1.0000000E+00 1.0000000E+00 22 1.3107873E+03 1.0000000E+00 1.0000000E+00 23 7.3472638E+02 1.0000000E+00 1.0000000E+00 24 4.1183101E+02 1.0000000E+00 1.0000000E+00 25 2.3084074E+02 1.0000000E+00 1.0000000E+00 26 1.2939154E+02 1.0000000E+00 1.0000000E+00 27 7.2526928E+01 1.0000000E+00 1.0000000E+00 28 4.0653009E+01 1.0000000E+00 1.0000000E+00 29 2.2786945E+01 1.0000000E+00 1.0000000E+00 30 1.2772606E+01 1.0000000E+00 1.0000000E+00 31 7.1593392E+00 1.0000000E+00 1.0000000E+00 32 4.0129740E+00 1.0000000E+00 1.0000000E+00 33 2.2493641E+00 1.0000000E+00 1.0000000E+00 34 1.2608203E+00 1.0000000E+00 1.0000000E+00 35 7.0671871E-01 1.0000000E+00 1.0000000E+00 36 3.9613207E-01 1.0000000E+00 1.0000000E+00 37 2.2204112E-01 1.0000000E+00 1.0000000E+00 38 1.2445915E-01 1.0000000E+00 1.0000000E+00 39 6.9762212E-02 1.0000000E+00 1.0000000E+00 40 3.9103322E-02 1.0000000E+00 1.0000000E+00 41 2.1918310E-02 1.0000000E+00 1.0000000E+00 42 1.2285716E-02 1.0000000E+00 1.0000000E+00 43 6.8864261E-03 1.0000000E+00 1.0000000E+00 44 3.8600000E-03 1.0000000E+00 1.0000000E+00 P+ 1 2.0100000E+07 1.0000000E+00 1.0000000E+00 2 1.1922144E+07 1.0000000E+00 1.0000000E+00 3 7.0715183E+06 1.0000000E+00 1.0000000E+00 4 4.1944110E+06 1.0000000E+00 1.0000000E+00 5 2.4878792E+06 1.0000000E+00 1.0000000E+00 6 1.4756644E+06 1.0000000E+00 1.0000000E+00 7 8.7527777E+05 1.0000000E+00 1.0000000E+00 8 5.1916357E+05 1.0000000E+00 1.0000000E+00 9 3.0793745E+05 1.0000000E+00 1.0000000E+00 10 1.8265048E+05 1.0000000E+00 1.0000000E+00 11 1.0833758E+05 1.0000000E+00 1.0000000E+00 12 6.4259514E+04 1.0000000E+00 1.0000000E+00 13 3.8114984E+04 1.0000000E+00 1.0000000E+00 14 2.2607579E+04 1.0000000E+00 1.0000000E+00 15 1.3409493E+04 1.0000000E+00 1.0000000E+00 16 7.9537267E+03 1.0000000E+00 1.0000000E+00 17 4.7176853E+03 1.0000000E+00 1.0000000E+00 18 2.7982549E+03 1.0000000E+00 1.0000000E+00 19 1.6597611E+03 1.0000000E+00 1.0000000E+00 20 9.8447319E+02 1.0000000E+00 1.0000000E+00 21 5.8393190E+02 1.0000000E+00 1.0000000E+00 22 3.4635424E+02 1.0000000E+00 1.0000000E+00 23 2.0543707E+02 1.0000000E+00 1.0000000E+00 24 1.2185325E+02 1.0000000E+00 1.0000000E+00 25 7.2276219E+01 1.0000000E+00 1.0000000E+00 26 4.2870025E+01 1.0000000E+00 1.0000000E+00 27 2.5427991E+01 1.0000000E+00 1.0000000E+00 28 1.5082396E+01 1.0000000E+00 1.0000000E+00 29 8.9459951E+00 1.0000000E+00 1.0000000E+00 30 5.3062409E+00 1.0000000E+00 1.0000000E+00 31 3.1473517E+00 1.0000000E+00 1.0000000E+00 32 1.8668249E+00 1.0000000E+00 1.0000000E+00 33 1.1072913E+00 1.0000000E+00 1.0000000E+00 34 6.5678041E-01 1.0000000E+00 1.0000000E+00 35 3.8956371E-01 1.0000000E+00 1.0000000E+00 36 2.3106640E-01 1.0000000E+00 1.0000000E+00 37 1.3705507E-01 1.0000000E+00 1.0000000E+00 38 8.1293050E-02 1.0000000E+00 1.0000000E+00 39 4.8218281E-02 1.0000000E+00 1.0000000E+00 40 2.8600263E-02 1.0000000E+00 1.0000000E+00 41 1.6964003E-02 1.0000000E+00 1.0000000E+00 42 1.0062054E-02 1.0000000E+00 1.0000000E+00 43 5.9682218E-03 1.0000000E+00 1.0000000E+00 44 3.5400000E-03 1.0000000E+00 1.0000000E+00 D- 1 8.2000000E+05 1.0000000E+00 1.0000000E+00 2 4.7626832E+05 1.0000000E+00 1.0000000E+00 3 2.7662380E+05 1.0000000E+00 1.0000000E+00 4 1.6066726E+05 1.0000000E+00 1.0000000E+00 5 9.3317959E+04 1.0000000E+00 1.0000000E+00 6 5.4200473E+04 1.0000000E+00 1.0000000E+00 7 3.1480449E+04 1.0000000E+00 1.0000000E+00 8 1.8284318E+04 1.0000000E+00 1.0000000E+00 9 1.0619807E+04 1.0000000E+00 1.0000000E+00 10 6.1681434E+03 1.0000000E+00 1.0000000E+00 11 3.5825504E+03 1.0000000E+00 1.0000000E+00 12 2.0807991E+03 1.0000000E+00 1.0000000E+00 13 1.2085594E+03 1.0000000E+00 1.0000000E+00 14 7.0194945E+02 1.0000000E+00 1.0000000E+00 15 4.0770279E+02 1.0000000E+00 1.0000000E+00 16 2.3679991E+02 1.0000000E+00 1.0000000E+00 17 1.3753695E+02 1.0000000E+00 1.0000000E+00 18 7.9883525E+01 1.0000000E+00 1.0000000E+00 19 4.6397552E+01 1.0000000E+00 1.0000000E+00 20 2.6948395E+01 1.0000000E+00 1.0000000E+00 21 1.5652033E+01 1.0000000E+00 1.0000000E+00 22 9.0909360E+00 1.0000000E+00 1.0000000E+00 23 5.2801523E+00 1.0000000E+00 1.0000000E+00 24 3.0667918E+00 1.0000000E+00 1.0000000E+00 25 1.7812388E+00 1.0000000E+00 1.0000000E+00 26 1.0345702E+00 1.0000000E+00 1.0000000E+00 27 6.0089395E-01 1.0000000E+00 1.0000000E+00 28 3.4900823E-01 1.0000000E+00 1.0000000E+00 29 2.0270923E-01 1.0000000E+00 1.0000000E+00 30 1.1773657E-01 1.0000000E+00 1.0000000E+00 31 6.8383167E-02 1.0000000E+00 1.0000000E+00 32 3.9717971E-02 1.0000000E+00 1.0000000E+00 33 2.3068794E-02 1.0000000E+00 1.0000000E+00 34 1.3398703E-02 1.0000000E+00 1.0000000E+00 35 7.7821678E-03 1.0000000E+00 1.0000000E+00 36 4.5200000E-03 1.0000000E+00 1.0000000E+00 D+ 1 1.6500000E+05 1.0000000E+00 1.0000000E+00 2 9.9977070E+04 1.0000000E+00 1.0000000E+00 3 6.0578269E+04 1.0000000E+00 1.0000000E+00 4 3.6705684E+04 1.0000000E+00 1.0000000E+00 5 2.2240768E+04 1.0000000E+00 1.0000000E+00 6 1.3476162E+04 1.0000000E+00 1.0000000E+00 7 8.1654983E+03 1.0000000E+00 1.0000000E+00 8 4.9476521E+03 1.0000000E+00 1.0000000E+00 9 2.9978894E+03 1.0000000E+00 1.0000000E+00 10 1.8164861E+03 1.0000000E+00 1.0000000E+00 11 1.1006482E+03 1.0000000E+00 1.0000000E+00 12 6.6690656E+02 1.0000000E+00 1.0000000E+00 13 4.0409311E+02 1.0000000E+00 1.0000000E+00 14 2.4484876E+02 1.0000000E+00 1.0000000E+00 15 1.4835916E+02 1.0000000E+00 1.0000000E+00 16 8.9894024E+01 1.0000000E+00 1.0000000E+00 17 5.4468734E+01 1.0000000E+00 1.0000000E+00 18 3.3003784E+01 1.0000000E+00 1.0000000E+00 19 1.9997707E+01 1.0000000E+00 1.0000000E+00 20 1.2117043E+01 1.0000000E+00 1.0000000E+00 21 7.3419786E+00 1.0000000E+00 1.0000000E+00 22 4.4486637E+00 1.0000000E+00 1.0000000E+00 23 2.6955416E+00 1.0000000E+00 1.0000000E+00 24 1.6332869E+00 1.0000000E+00 1.0000000E+00 25 9.8964389E-01 1.0000000E+00 1.0000000E+00 26 5.9964664E-01 1.0000000E+00 1.0000000E+00 27 3.6333887E-01 1.0000000E+00 1.0000000E+00 28 2.2015488E-01 1.0000000E+00 1.0000000E+00 29 1.3339661E-01 1.0000000E+00 1.0000000E+00 30 8.0827890E-02 1.0000000E+00 1.0000000E+00 31 4.8975367E-02 1.0000000E+00 1.0000000E+00 32 2.9675234E-02 1.0000000E+00 1.0000000E+00 33 1.7980866E-02 1.0000000E+00 1.0000000E+00 34 1.0894996E-02 1.0000000E+00 1.0000000E+00 35 6.6015138E-03 1.0000000E+00 1.0000000E+00 36 4.0000000E-03 1.0000000E+00 1.0000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ -4.9852158E+02 -6.7124975E+01 -1.0199593E+01 -1.0209740E+00 ------------ ------------ ------------ ------------ *** Large-Component *** 1 -4.6491082E-07 1.5018508E-07 5.9921155E-08 1.8417680E-08 2 2.9006466E-06 -9.3674637E-07 -3.7368233E-07 -1.1486155E-07 3 -6.3946235E-07 2.0629094E-07 8.2567321E-08 2.5347612E-08 4 6.2159782E-06 -2.0081880E-06 -8.0148673E-07 -2.4632266E-07 5 2.0934245E-06 -6.7799275E-07 -2.6938643E-07 -8.2936020E-08 6 1.1821963E-05 -3.8229722E-06 -1.5266163E-06 -4.6911717E-07 7 1.0456602E-05 -3.3875018E-06 -1.3484171E-06 -4.1487464E-07 8 2.5494075E-05 -8.2581829E-06 -3.2994760E-06 -1.0138238E-06 9 3.3144176E-05 -1.0753665E-05 -4.2826320E-06 -1.3175630E-06 10 6.3314574E-05 -2.0557981E-05 -8.2179101E-06 -2.5250410E-06 11 9.8273752E-05 -3.1957901E-05 -1.2731554E-05 -3.9169959E-06 12 1.7672280E-04 -5.7548550E-05 -2.3015524E-05 -7.0719211E-06 13 3.0078277E-04 -9.8096403E-05 -3.9095680E-05 -1.2028762E-05 14 5.4408260E-04 -1.7777207E-04 -7.1127049E-05 -2.1856484E-05 15 9.7961187E-04 -3.2063261E-04 -1.2785488E-04 -3.9339384E-05 16 1.8156294E-03 -5.9577204E-04 -2.3847715E-04 -7.3289850E-05 17 3.3884006E-03 -1.1150466E-03 -4.4500827E-04 -1.3693119E-04 18 6.4091769E-03 -2.1191881E-03 -8.4897881E-04 -2.6096617E-04 19 1.2155801E-02 -4.0475405E-03 -1.6181113E-03 -4.9798596E-04 20 2.3019325E-02 -7.7590269E-03 -3.1156795E-03 -9.5814944E-04 21 4.2969953E-02 -1.4780977E-02 -5.9352929E-03 -1.8277195E-03 22 7.7777169E-02 -2.7719295E-02 -1.1211806E-02 -3.4519373E-03 23 1.3258718E-01 -5.0207195E-02 -2.0421367E-02 -6.3007501E-03 24 2.0313953E-01 -8.5411198E-02 -3.5334161E-02 -1.0916097E-02 25 2.5733053E-01 -1.2887142E-01 -5.4498706E-02 -1.6918195E-02 26 2.3401895E-01 -1.5065196E-01 -6.6561666E-02 -2.0763082E-02 27 1.2219544E-01 -8.1992973E-02 -3.7513334E-02 -1.1833606E-02 28 2.5907380E-02 1.3957759E-01 7.5150845E-02 2.4232550E-02 29 1.7943485E-03 4.2622578E-01 2.9064241E-01 9.7264992E-02 30 1.5857468E-04 4.2753395E-01 3.9822424E-01 1.4023362E-01 31 2.4208278E-05 1.6437266E-01 1.2054821E-01 3.9698935E-02 32 -8.8106783E-05 2.2334690E-02 -3.4787261E-01 -1.4392929E-01 33 1.8790609E-05 2.0760040E-03 -5.8164434E-01 -3.1856546E-01 34 -3.4732928E-05 7.3464982E-04 -3.2684891E-01 -3.2091848E-01 35 2.3865287E-05 -1.9215437E-04 -5.4334277E-02 -1.6035707E-03 36 -1.6937218E-05 1.4202077E-04 -4.2251267E-03 3.5382405E-01 37 1.3561563E-05 -1.5123445E-04 2.1917306E-04 4.7616077E-01 38 -9.3681749E-06 9.0888658E-05 -9.6439714E-04 3.2368708E-01 39 6.8004074E-06 -7.3066892E-05 4.4457218E-04 9.3152022E-02 40 -4.5520557E-06 4.8227675E-05 -3.5921496E-04 7.3203600E-03 41 2.8316085E-06 -3.0309071E-05 2.2120335E-04 3.0698963E-04 42 -1.5146633E-06 1.6248271E-05 -1.1953487E-04 -6.6911006E-05 43 6.1118485E-07 -6.5494557E-06 4.8463230E-05 2.2588540E-05 44 -1.3520113E-07 1.4451274E-06 -1.0743103E-05 -4.4356507E-06 *** Small-Component *** 45 -1.8026072E-06 5.8175784E-07 2.3252177E-07 7.1420361E-08 46 3.4719474E-06 -1.1208363E-06 -4.4918720E-07 -1.3784331E-07 47 5.1566710E-06 -1.6628843E-06 -6.5780244E-07 -2.0277420E-07 48 1.0783066E-05 -3.4815689E-06 -1.3977139E-06 -4.2866213E-07 49 1.7461991E-05 -5.6318097E-06 -2.2306797E-06 -6.8732487E-07 50 2.8172370E-05 -9.0958110E-06 -3.6489920E-06 -1.1193812E-06 51 4.3862278E-05 -1.4148402E-05 -5.6101569E-06 -1.7279652E-06 52 6.7750250E-05 -2.1873530E-05 -8.7659252E-06 -2.6900528E-06 53 1.0368593E-04 -3.3451456E-05 -1.3278101E-05 -4.0882852E-06 54 1.5825125E-04 -5.1095427E-05 -2.0457912E-05 -6.2800958E-06 55 2.4073113E-04 -7.7687351E-05 -3.0864479E-05 -9.5002607E-06 56 3.6590193E-04 -1.1817170E-04 -4.7279773E-05 -1.4517746E-05 57 5.5524459E-04 -1.7928784E-04 -7.1284254E-05 -2.1936571E-05 58 8.4213389E-04 -2.7218677E-04 -1.0884396E-04 -3.3429452E-05 59 1.2753215E-03 -4.1237709E-04 -1.6408139E-04 -5.0484857E-05 60 1.9288803E-03 -6.2481406E-04 -2.4980355E-04 -7.6739395E-05 61 2.9091142E-03 -9.4427061E-04 -3.7607267E-04 -1.1570144E-04 62 4.3700478E-03 -1.4246645E-03 -5.6984374E-04 -1.7510196E-04 63 6.5157719E-03 -2.1384641E-03 -8.5321152E-04 -2.6252287E-04 64 9.5960494E-03 -3.1882143E-03 -1.2780467E-03 -3.9290915E-04 65 1.3825189E-02 -4.6885121E-03 -1.8791843E-03 -5.7853407E-04 66 1.9183427E-02 -6.7434180E-03 -2.7230209E-03 -8.3814624E-04 67 2.4942803E-02 -9.3214856E-03 -3.7852371E-03 -1.1676127E-03 68 2.9029650E-02 -1.2054190E-02 -4.9794934E-03 -1.5380096E-03 69 2.7851982E-02 -1.3786331E-02 -5.8225208E-03 -1.8071575E-03 70 1.9137086E-02 -1.2193531E-02 -5.3824471E-03 -1.6787585E-03 71 7.5363743E-03 -5.0295946E-03 -2.3023028E-03 -7.2629502E-04 72 1.2034306E-03 6.3763603E-03 3.4248535E-03 1.1039797E-03 73 6.2625710E-05 1.4719796E-02 1.0021241E-02 3.3529177E-03 74 4.0909747E-06 1.1123813E-02 1.0347831E-02 3.6435390E-03 75 5.0761550E-07 3.2189631E-03 2.3606038E-03 7.7775542E-04 76 -1.3298827E-06 3.2921391E-04 -5.1171320E-03 -2.1166512E-03 77 2.2843315E-07 2.2931693E-05 -6.4400599E-03 -3.5264165E-03 78 -3.0423212E-07 6.1775525E-06 -2.7233261E-03 -2.6733682E-03 79 1.6003942E-07 -1.2443135E-06 -3.4064707E-04 -1.0143667E-05 80 -8.7149378E-08 6.9828798E-07 -1.9933009E-05 1.6687262E-03 81 5.3264628E-08 -5.5721502E-07 7.7931213E-07 1.6897881E-03 82 -2.8622473E-08 2.5718197E-07 -2.5763329E-06 8.6432961E-04 83 1.6192354E-08 -1.5688128E-07 8.9389706E-07 1.8716335E-04 84 -8.6122216E-09 7.9661650E-08 -5.4347393E-07 1.1066968E-05 85 4.3413358E-09 -3.8702532E-08 2.5187080E-07 3.4930687E-07 86 -1.9442427E-09 1.6225317E-08 -1.0244450E-07 -5.7331084E-08 87 6.8356358E-10 -5.2043277E-09 3.1267558E-08 1.4577275E-08 88 -1.3820319E-10 9.3927855E-10 -5.2193960E-09 -2.1572923E-09 2P- 3P- 4P- -6.0195674E+01 -7.7279996E+00 -4.6991072E-01 ------------ ------------ ------------ *** Large-Component *** 1 -5.5393274E-08 2.2309277E-08 -5.7871568E-09 2 1.0361014E-07 -4.1730893E-08 1.0825016E-08 3 1.9717545E-07 -7.9398508E-08 2.0597713E-08 4 3.4728588E-07 -1.3988021E-07 3.6284629E-08 5 6.3515087E-07 -2.5576276E-07 6.6350505E-08 6 9.5896384E-07 -3.8625729E-07 1.0019405E-07 7 1.5796000E-06 -6.3606763E-07 1.6501143E-07 8 2.3917004E-06 -9.6337354E-07 2.4989425E-07 9 3.7704186E-06 -1.5182347E-06 3.9387404E-07 10 5.7681681E-06 -2.3235621E-06 6.0271048E-07 11 8.9766004E-06 -3.6145665E-06 9.3775119E-07 12 1.3888133E-05 -5.5952090E-06 1.4513175E-06 13 2.1705168E-05 -8.7402020E-06 2.2676308E-06 14 3.4239813E-05 -1.3798094E-05 3.5789885E-06 15 5.4809398E-05 -2.2074880E-05 5.7277239E-06 16 9.0223252E-05 -3.6379402E-05 9.4363949E-06 17 1.5336292E-04 -6.1809422E-05 1.6039685E-05 18 2.7549887E-04 -1.1122235E-04 2.8853463E-05 19 5.2374004E-04 -2.1145537E-04 5.4885759E-05 20 1.0716676E-03 -4.3377656E-04 1.1257180E-04 21 2.3228262E-03 -9.4171722E-04 2.4454989E-04 22 5.2981412E-03 -2.1580106E-03 5.6052870E-04 23 1.2309927E-02 -5.0442257E-03 1.3116147E-03 24 2.8521683E-02 -1.1828462E-02 3.0796997E-03 25 6.3365523E-02 -2.6788523E-02 6.9935106E-03 26 1.2867576E-01 -5.6070729E-02 1.4693645E-02 27 2.2209009E-01 -1.0048311E-01 2.6471959E-02 28 3.0111195E-01 -1.4304700E-01 3.7976025E-02 29 2.6978231E-01 -1.1731510E-01 3.0567989E-02 30 1.2780838E-01 5.4551484E-02 -2.0989577E-02 31 2.6347774E-02 2.8482730E-01 -9.2651399E-02 32 2.6558540E-03 4.0108063E-01 -1.3798904E-01 33 5.6329205E-04 2.9456922E-01 -1.1913561E-01 34 8.1275633E-05 9.5918780E-02 1.8241794E-02 35 1.4039290E-05 1.2810024E-02 2.1084547E-01 36 -1.5551313E-05 1.2034982E-03 3.2797430E-01 37 -1.6405473E-06 8.5125649E-04 3.2345342E-01 38 -7.1746258E-06 4.6783403E-05 2.0969446E-01 39 1.1555617E-06 2.3548765E-04 7.1003290E-02 40 -1.7403002E-06 -1.0197594E-04 7.4842715E-03 41 1.0172338E-06 7.1671666E-05 2.2335690E-04 42 -5.6868405E-07 -4.0527211E-05 -7.9945161E-05 43 2.4607778E-07 1.7749426E-05 3.7448987E-05 44 -6.0338089E-08 -4.4175247E-06 -9.6133260E-06 *** Small-Component *** 45 -5.4691566E-09 2.2276224E-09 -5.7516155E-10 46 1.9453744E-08 -7.9270542E-09 2.0463322E-09 47 2.4554779E-08 -9.6891252E-09 2.5354574E-09 48 6.6573486E-08 -2.7165282E-08 7.0086872E-09 49 9.7409054E-08 -3.8688409E-08 1.0096576E-08 50 1.8158525E-07 -7.3960794E-08 1.9097560E-08 51 2.7114707E-07 -1.0806165E-07 2.8162245E-08 52 4.6696349E-07 -1.8980694E-07 4.9057282E-08 53 7.1161471E-07 -2.8438801E-07 7.4037090E-08 54 1.2092933E-06 -4.9066864E-07 1.2693152E-07 55 1.9033525E-06 -7.6254665E-07 1.9834594E-07 56 3.2720490E-06 -1.3257045E-06 3.4322987E-07 57 5.3753130E-06 -2.1584861E-06 5.6103720E-07 58 9.4767910E-06 -3.8355113E-06 9.9375599E-07 59 1.6343042E-05 -6.5762846E-06 1.7083565E-06 60 2.9745817E-05 -1.2031814E-05 3.1192841E-06 61 5.3753229E-05 -2.1670581E-05 5.6274058E-06 62 1.0086684E-04 -4.0804334E-05 1.0583973E-05 63 1.8905194E-04 -7.6377872E-05 1.9831232E-05 64 3.6200634E-04 -1.4667905E-04 3.8065536E-05 65 6.8992055E-04 -2.7982299E-04 7.2674457E-05 66 1.3163833E-03 -5.3637962E-04 1.3932319E-04 67 2.4571713E-03 -1.0070280E-03 2.6185920E-04 68 4.4512780E-03 -1.8462537E-03 4.8070108E-04 69 7.5948005E-03 -3.2112320E-03 8.3835167E-04 70 1.1717823E-02 -5.1075093E-03 1.3384927E-03 71 1.5265325E-02 -6.9100583E-03 1.8205355E-03 72 1.5560039E-02 -7.3981985E-03 1.9642635E-03 73 1.0446758E-02 -4.5512557E-03 1.1862398E-03 74 3.6861765E-03 1.5950919E-03 -6.1254626E-04 75 5.4663489E-04 6.2197268E-03 -2.0226215E-03 76 2.4402839E-05 6.5570845E-03 -2.2554981E-03 77 -5.3919502E-06 3.6059737E-03 -1.4581889E-03 78 -7.2911847E-06 8.7952307E-04 1.6666731E-04 79 -5.0083392E-06 8.8298725E-05 1.4458142E-03 80 -3.5267783E-06 6.4571288E-06 1.6839487E-03 81 -2.0452346E-06 3.4432182E-06 1.2433985E-03 82 -1.6097624E-06 2.6208670E-07 6.0347590E-04 83 -6.5900189E-07 5.6337189E-07 1.5297021E-04 84 -9.2670228E-07 -9.0127596E-08 1.2023052E-05 85 4.5292890E-08 8.3723060E-08 2.7217209E-07 86 -7.4700084E-07 2.4000960E-08 -1.1420117E-07 87 3.2842141E-07 -1.4646869E-08 4.3780306E-08 88 -4.3155687E-07 3.3015149E-08 -2.9123708E-08 2P+ 3P+ 4P+ -5.8433729E+01 -7.4624161E+00 -4.4928416E-01 ------------ ------------ ------------ *** Large-Component *** 1 7.7291671E-09 -3.1250978E-09 8.0374270E-10 2 -1.0021709E-08 4.0703465E-09 -1.0412590E-09 3 2.5473657E-08 -1.0347717E-08 2.6472603E-09 4 -9.8165344E-09 4.0985045E-09 -1.0150519E-09 5 5.0433840E-08 -2.0612869E-08 5.2374885E-09 6 3.0254783E-08 -1.1769247E-08 3.1696877E-09 7 1.3712081E-07 -5.6145397E-08 1.4240674E-08 8 2.2345331E-07 -8.8919628E-08 2.3329117E-08 9 5.4644617E-07 -2.2301962E-07 5.6807848E-08 10 1.1595987E-06 -4.6457784E-07 1.2097563E-07 11 2.6273881E-06 -1.0684846E-06 2.7344326E-07 12 6.0052280E-06 -2.4154761E-06 6.2637778E-07 13 1.3797930E-05 -5.5984258E-06 1.4374091E-06 14 3.2476484E-05 -1.3098027E-05 3.3882451E-06 15 7.6312889E-05 -3.0934863E-05 7.9587194E-06 16 1.8233582E-04 -7.3705777E-05 1.9041283E-05 17 4.3431204E-04 -1.7617944E-04 4.5385108E-05 18 1.0405260E-03 -4.2199820E-04 1.0896908E-04 19 2.4698118E-03 -1.0056646E-03 2.5935781E-04 20 5.8055518E-03 -2.3719790E-03 6.1279285E-04 21 1.3310929E-02 -5.4823073E-03 1.4163980E-03 22 2.9515193E-02 -1.2299743E-02 3.1849434E-03 23 6.1817018E-02 -2.6283891E-02 6.8195297E-03 24 1.1812153E-01 -5.1628484E-02 1.3450518E-02 25 1.9585839E-01 -8.8657983E-02 2.3195608E-02 26 2.6690656E-01 -1.2638718E-01 3.3321196E-02 27 2.6503033E-01 -1.2431979E-01 3.2654800E-02 28 1.6285178E-01 -1.8306861E-02 1.6213775E-03 29 5.3654536E-02 1.6911880E-01 -5.5409531E-02 30 8.5359095E-03 3.2653116E-01 -1.0610378E-01 31 1.2777535E-03 3.5131200E-01 -1.2804479E-01 32 2.9938098E-04 2.1509095E-01 -8.5628287E-02 33 7.7608825E-05 6.5883796E-02 4.5507300E-02 34 -1.3222856E-05 9.7046249E-03 1.9860740E-01 35 1.8343720E-06 1.4705476E-03 2.9195046E-01 36 -1.3893601E-05 6.5274469E-04 2.9766110E-01 37 1.3838934E-06 2.7237543E-04 2.2019332E-01 38 -5.9260968E-06 1.4766359E-04 1.0255030E-01 39 2.4935419E-06 9.0761938E-06 2.2400752E-02 40 -1.9953085E-06 1.3643736E-05 1.3193046E-03 41 1.2362216E-06 -7.6901976E-06 2.3171054E-05 42 -6.7021617E-07 4.2293775E-06 -4.0618751E-06 43 2.7631368E-07 -1.7609540E-06 3.6905445E-07 44 -6.3531939E-08 4.0807288E-07 1.4071356E-07 *** Small-Component *** 45 2.5294735E-08 -1.0296004E-08 2.6267668E-09 46 -1.6058972E-08 6.8428779E-09 -1.6542233E-09 47 5.8038650E-08 -2.4251352E-08 5.9994473E-09 48 2.2161056E-08 -7.4469479E-09 2.3706493E-09 49 1.1469753E-07 -4.8622016E-08 1.1825500E-08 50 1.7144331E-07 -6.5726470E-08 1.7982751E-08 51 3.4881271E-07 -1.4559463E-07 3.6064370E-08 52 6.7468565E-07 -2.6547566E-07 7.0469007E-08 53 1.2522706E-06 -5.1447246E-07 1.2984302E-07 54 2.4673774E-06 -9.8299807E-07 2.5719424E-07 55 4.6033069E-06 -1.8744689E-06 4.7808605E-07 56 8.9651362E-06 -3.5947216E-06 9.3365734E-07 57 1.6894971E-05 -6.8498364E-06 1.7564702E-06 58 3.2577392E-05 -1.3108685E-05 3.3922312E-06 59 6.1679159E-05 -2.4964573E-05 6.4191102E-06 60 1.1796440E-04 -4.7588335E-05 1.2293358E-05 61 2.2286178E-04 -9.0243134E-05 2.3239484E-05 62 4.2107122E-04 -1.7044436E-04 4.4004325E-05 63 7.8379162E-04 -3.1857188E-04 8.2137428E-05 64 1.4389401E-03 -5.8685810E-04 1.5158098E-04 65 2.5676359E-03 -1.0557244E-03 2.7269419E-04 66 4.4190700E-03 -1.8385329E-03 4.7598127E-04 67 7.1680597E-03 -3.0431372E-03 7.8941091E-04 68 1.0589532E-02 -4.6220723E-03 1.2039641E-03 69 1.3556300E-02 -6.1289578E-03 1.6032862E-03 70 1.4251026E-02 -6.7409621E-03 1.7769974E-03 71 1.0910119E-02 -5.1138072E-03 1.3431822E-03 72 5.1658450E-03 -5.8327233E-04 5.2446195E-05 73 1.3110321E-03 4.1246465E-03 -1.3511996E-03 74 1.6062370E-04 6.1361444E-03 -1.9936208E-03 75 1.8507670E-05 5.0852994E-03 -1.8532076E-03 76 3.3390959E-06 2.3980522E-03 -9.5457294E-04 77 6.6640416E-07 5.6572596E-04 3.9062460E-04 78 -8.7460235E-08 6.4176049E-05 1.3131560E-03 79 9.3213371E-09 7.4898144E-06 1.4866783E-03 80 -5.4478094E-08 2.5595226E-06 1.1673797E-03 81 4.1636833E-09 8.2310949E-07 6.6508119E-04 82 -1.3769665E-08 3.4319951E-07 2.3855459E-04 83 4.4530730E-09 1.6476628E-08 4.0132141E-05 84 -2.7413605E-09 1.8675313E-08 1.8203871E-06 85 1.3051534E-09 -8.0752809E-09 2.4601630E-08 86 -5.4328497E-10 3.4067561E-09 -3.3133990E-09 87 1.7165294E-10 -1.0857741E-09 2.2934779E-10 88 -3.0101691E-11 1.9185271E-10 6.8127652E-11 3D- -3.1797023E+00 ------------ *** Large-Component *** 1 -1.6865646E-08 2 1.5374763E-08 3 -4.8286780E-08 4 1.2095033E-09 5 -1.0352712E-07 6 -1.0590610E-07 7 -3.2491091E-07 8 -6.1284608E-07 9 -1.4754608E-06 10 -3.5063014E-06 11 -9.0213261E-06 12 -2.4711510E-05 13 -7.0553825E-05 14 -2.0899156E-04 15 -6.2476536E-04 16 -1.8695706E-03 17 -5.4271688E-03 18 -1.4651640E-02 19 -3.5551962E-02 20 -7.7554873E-02 21 -1.4469766E-01 22 -2.1540376E-01 23 -2.5688859E-01 24 -2.4714131E-01 25 -1.7758539E-01 26 -8.6594851E-02 27 -2.6774679E-02 28 -4.9797611E-03 29 -7.9753294E-04 30 -1.1277930E-04 31 -2.9528837E-05 32 1.0477621E-05 33 -7.3031804E-06 34 4.2284846E-06 35 -1.9077458E-06 36 4.9638764E-07 *** Small-Component *** 37 -1.7254519E-09 38 -4.4110949E-10 39 -3.9503923E-09 40 -7.8931002E-09 41 -1.5478097E-08 42 -4.2532213E-08 43 -8.7517045E-08 44 -2.2831910E-07 45 -5.2211629E-07 46 -1.3171267E-06 47 -3.1766058E-06 48 -7.9174734E-06 49 -1.9340145E-05 50 -4.7261462E-05 51 -1.1308664E-04 52 -2.6585042E-04 53 -5.9900692E-04 54 -1.2460759E-03 55 -2.3189602E-03 56 -3.8688635E-03 57 -5.5120238E-03 58 -6.2603720E-03 59 -5.6933092E-03 60 -4.1755114E-03 61 -2.2867673E-03 62 -8.4965147E-04 63 -2.0003118E-04 64 -2.8228521E-05 65 -3.3793854E-06 66 -3.2864985E-07 67 -5.2974825E-08 68 3.2814305E-08 69 -6.5813455E-09 70 9.6248860E-09 71 -2.1285027E-09 72 2.4989772E-09 3D+ -3.1369725E+00 ------------ *** Large-Component *** 1 -4.0382583E-09 2 1.4395014E-09 3 -1.8165154E-08 4 -2.2981907E-08 5 -1.0005017E-07 6 -2.5965971E-07 7 -8.0216586E-07 8 -2.3561300E-06 9 -7.0560914E-06 10 -2.1011871E-05 11 -6.2286598E-05 12 -1.8268463E-04 13 -5.2791483E-04 14 -1.4978449E-03 15 -4.1125105E-03 16 -1.0595058E-02 17 -2.4883290E-02 18 -5.3227681E-02 19 -1.0190557E-01 20 -1.6423039E-01 21 -2.1703827E-01 22 -2.3990093E-01 23 -2.1850619E-01 24 -1.5219400E-01 25 -7.5597081E-02 26 -2.5382935E-02 27 -5.5309472E-03 28 -9.8504789E-04 29 -1.9380619E-04 30 -3.6358356E-05 31 1.0027733E-06 32 -2.5956259E-06 33 1.6616074E-06 34 -9.3903639E-07 35 4.0606600E-07 36 -9.8836033E-08 *** Small-Component *** 37 -8.7485916E-09 38 6.8909437E-10 39 -2.7789071E-08 40 -3.6461569E-08 41 -1.1359521E-07 42 -2.5086625E-07 43 -6.1501056E-07 44 -1.4563266E-06 45 -3.4680216E-06 46 -8.1931665E-06 47 -1.9174688E-05 48 -4.4267320E-05 49 -1.0041580E-04 50 -2.2318297E-04 51 -4.7921026E-04 52 -9.6414341E-04 53 -1.7664243E-03 54 -2.9456329E-03 55 -4.3942693E-03 56 -5.5157216E-03 57 -5.6756738E-03 58 -4.8841284E-03 59 -3.4631215E-03 60 -1.8777256E-03 61 -7.2603303E-04 62 -1.8975966E-04 63 -3.2185922E-05 64 -4.4620578E-06 65 -6.8328482E-07 66 -9.9833314E-08 67 2.1739194E-09 68 -4.3381512E-09 69 2.1646682E-09 70 -9.5378201E-10 71 3.2170078E-10 72 -6.1118963E-11 RADIAL MOMENTS Sym Orb

S+ 1 2.64423E+03 3.56640E+01 4.27299E-02 2.45906E-03 1.78289E-04 1.56189E-05 2 2.76266E+02 7.98418E+00 1.88676E-01 4.20477E-02 1.06922E-02 3.07225E-03 3 4.51674E+01 2.61178E+00 5.48262E-01 3.45340E-01 2.42397E-01 1.88287E-01 4 4.54313E+00 7.67493E-01 1.70932E+00 3.35340E+00 7.42149E+00 1.84473E+01 P- 1 8.91677E+01 7.91667E+00 1.62775E-01 3.25277E-02 7.73595E-03 2.14261E-03 2 1.41980E+01 2.48713E+00 5.55431E-01 3.60938E-01 2.65559E-01 2.19604E-01 3 1.16473E+00 6.30110E-01 2.07468E+00 5.04494E+00 1.41533E+01 4.55095E+01 P+ 1 8.01335E+01 7.66061E+00 1.66609E-01 3.39516E-02 8.21944E-03 2.31519E-03 2 1.28173E+01 2.42848E+00 5.65230E-01 3.73622E-01 2.79615E-01 2.35230E-01 3 1.05444E+00 6.15797E-01 2.11897E+00 5.26628E+00 1.51124E+01 4.97416E+01 D- 1 6.11245E+00 2.16423E+00 5.83862E-01 4.20149E-01 3.65066E-01 3.76511E-01 D+ 1 6.01092E+00 2.14827E+00 5.87821E-01 4.25776E-01 3.72359E-01 3.86521E-01 ******************************************************************************************* ******************************************************************************************* Kr [Ar]4s(2)3d(10)4p(6) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 36.0 Atomic Mass = 84.0 Nuclear Radius = 1.032273E-04 Speed of Light = 137.0359955 S+ P- P+ D- D+ Number of Closed Shells 4 3 3 1 1 Open Shells 0 0 0 0 0 ENERGIES Total Energy = -2.78886056230227E+03 Mass Energy = -2.78881382955778E+03 Kinetic Energy = 5.65382321105594E+03 Potential Energy = -5.65386994380043E+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 1.3984373E+08 1.0000000E+00 1.0000000E+00 3 7.9175181E+07 1.0000000E+00 1.0000000E+00 4 4.4826530E+07 1.0000000E+00 1.0000000E+00 5 2.5379390E+07 1.0000000E+00 1.0000000E+00 6 1.4369023E+07 1.0000000E+00 1.0000000E+00 7 8.1352946E+06 1.0000000E+00 1.0000000E+00 8 4.6059513E+06 1.0000000E+00 1.0000000E+00 9 2.6077466E+06 1.0000000E+00 1.0000000E+00 10 1.4764252E+06 1.0000000E+00 1.0000000E+00 11 8.3590612E+05 1.0000000E+00 1.0000000E+00 12 4.7326410E+05 1.0000000E+00 1.0000000E+00 13 2.6794744E+05 1.0000000E+00 1.0000000E+00 14 1.5170352E+05 1.0000000E+00 1.0000000E+00 15 8.5889827E+04 1.0000000E+00 1.0000000E+00 16 4.8628154E+04 1.0000000E+00 1.0000000E+00 17 2.7531751E+04 1.0000000E+00 1.0000000E+00 18 1.5587623E+04 1.0000000E+00 1.0000000E+00 19 8.8252283E+03 1.0000000E+00 1.0000000E+00 20 4.9965703E+03 1.0000000E+00 1.0000000E+00 21 2.8289030E+03 1.0000000E+00 1.0000000E+00 22 1.6016371E+03 1.0000000E+00 1.0000000E+00 23 9.0679719E+02 1.0000000E+00 1.0000000E+00 24 5.1340042E+02 1.0000000E+00 1.0000000E+00 25 2.9067138E+02 1.0000000E+00 1.0000000E+00 26 1.6456911E+02 1.0000000E+00 1.0000000E+00 27 9.3173924E+01 1.0000000E+00 1.0000000E+00 28 5.2752184E+01 1.0000000E+00 1.0000000E+00 29 2.9866649E+01 1.0000000E+00 1.0000000E+00 30 1.6909570E+01 1.0000000E+00 1.0000000E+00 31 9.5736734E+00 1.0000000E+00 1.0000000E+00 32 5.4203167E+00 1.0000000E+00 1.0000000E+00 33 3.0688151E+00 1.0000000E+00 1.0000000E+00 34 1.7374678E+00 1.0000000E+00 1.0000000E+00 35 9.8370036E-01 1.0000000E+00 1.0000000E+00 36 5.5694061E-01 1.0000000E+00 1.0000000E+00 37 3.1532248E-01 1.0000000E+00 1.0000000E+00 38 1.7852580E-01 1.0000000E+00 1.0000000E+00 39 1.0107577E-01 1.0000000E+00 1.0000000E+00 40 5.7225962E-02 1.0000000E+00 1.0000000E+00 41 3.2399564E-02 1.0000000E+00 1.0000000E+00 42 1.8343627E-02 1.0000000E+00 1.0000000E+00 43 1.0385592E-02 1.0000000E+00 1.0000000E+00 44 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.3985048E+08 1.0000000E+00 1.0000000E+00 3 7.8389406E+07 1.0000000E+00 1.0000000E+00 4 4.3939063E+07 1.0000000E+00 1.0000000E+00 5 2.4628854E+07 1.0000000E+00 1.0000000E+00 6 1.3805038E+07 1.0000000E+00 1.0000000E+00 7 7.7380410E+06 1.0000000E+00 1.0000000E+00 8 4.3373497E+06 1.0000000E+00 1.0000000E+00 9 2.4311841E+06 1.0000000E+00 1.0000000E+00 10 1.3627345E+06 1.0000000E+00 1.0000000E+00 11 7.6384401E+05 1.0000000E+00 1.0000000E+00 12 4.2815211E+05 1.0000000E+00 1.0000000E+00 13 2.3998909E+05 1.0000000E+00 1.0000000E+00 14 1.3451940E+05 1.0000000E+00 1.0000000E+00 15 7.5401213E+04 1.0000000E+00 1.0000000E+00 16 4.2264112E+04 1.0000000E+00 1.0000000E+00 17 2.3690005E+04 1.0000000E+00 1.0000000E+00 18 1.3278792E+04 1.0000000E+00 1.0000000E+00 19 7.4430679E+03 1.0000000E+00 1.0000000E+00 20 4.1720105E+03 1.0000000E+00 1.0000000E+00 21 2.3385077E+03 1.0000000E+00 1.0000000E+00 22 1.3107873E+03 1.0000000E+00 1.0000000E+00 23 7.3472638E+02 1.0000000E+00 1.0000000E+00 24 4.1183101E+02 1.0000000E+00 1.0000000E+00 25 2.3084074E+02 1.0000000E+00 1.0000000E+00 26 1.2939154E+02 1.0000000E+00 1.0000000E+00 27 7.2526928E+01 1.0000000E+00 1.0000000E+00 28 4.0653009E+01 1.0000000E+00 1.0000000E+00 29 2.2786945E+01 1.0000000E+00 1.0000000E+00 30 1.2772606E+01 1.0000000E+00 1.0000000E+00 31 7.1593392E+00 1.0000000E+00 1.0000000E+00 32 4.0129740E+00 1.0000000E+00 1.0000000E+00 33 2.2493641E+00 1.0000000E+00 1.0000000E+00 34 1.2608203E+00 1.0000000E+00 1.0000000E+00 35 7.0671871E-01 1.0000000E+00 1.0000000E+00 36 3.9613207E-01 1.0000000E+00 1.0000000E+00 37 2.2204112E-01 1.0000000E+00 1.0000000E+00 38 1.2445915E-01 1.0000000E+00 1.0000000E+00 39 6.9762212E-02 1.0000000E+00 1.0000000E+00 40 3.9103322E-02 1.0000000E+00 1.0000000E+00 41 2.1918310E-02 1.0000000E+00 1.0000000E+00 42 1.2285716E-02 1.0000000E+00 1.0000000E+00 43 6.8864261E-03 1.0000000E+00 1.0000000E+00 44 3.8600000E-03 1.0000000E+00 1.0000000E+00 P+ 1 2.0100000E+07 1.0000000E+00 1.0000000E+00 2 1.1922144E+07 1.0000000E+00 1.0000000E+00 3 7.0715183E+06 1.0000000E+00 1.0000000E+00 4 4.1944110E+06 1.0000000E+00 1.0000000E+00 5 2.4878792E+06 1.0000000E+00 1.0000000E+00 6 1.4756644E+06 1.0000000E+00 1.0000000E+00 7 8.7527777E+05 1.0000000E+00 1.0000000E+00 8 5.1916357E+05 1.0000000E+00 1.0000000E+00 9 3.0793745E+05 1.0000000E+00 1.0000000E+00 10 1.8265048E+05 1.0000000E+00 1.0000000E+00 11 1.0833758E+05 1.0000000E+00 1.0000000E+00 12 6.4259514E+04 1.0000000E+00 1.0000000E+00 13 3.8114984E+04 1.0000000E+00 1.0000000E+00 14 2.2607579E+04 1.0000000E+00 1.0000000E+00 15 1.3409493E+04 1.0000000E+00 1.0000000E+00 16 7.9537267E+03 1.0000000E+00 1.0000000E+00 17 4.7176853E+03 1.0000000E+00 1.0000000E+00 18 2.7982549E+03 1.0000000E+00 1.0000000E+00 19 1.6597611E+03 1.0000000E+00 1.0000000E+00 20 9.8447319E+02 1.0000000E+00 1.0000000E+00 21 5.8393190E+02 1.0000000E+00 1.0000000E+00 22 3.4635424E+02 1.0000000E+00 1.0000000E+00 23 2.0543707E+02 1.0000000E+00 1.0000000E+00 24 1.2185325E+02 1.0000000E+00 1.0000000E+00 25 7.2276219E+01 1.0000000E+00 1.0000000E+00 26 4.2870025E+01 1.0000000E+00 1.0000000E+00 27 2.5427991E+01 1.0000000E+00 1.0000000E+00 28 1.5082396E+01 1.0000000E+00 1.0000000E+00 29 8.9459951E+00 1.0000000E+00 1.0000000E+00 30 5.3062409E+00 1.0000000E+00 1.0000000E+00 31 3.1473517E+00 1.0000000E+00 1.0000000E+00 32 1.8668249E+00 1.0000000E+00 1.0000000E+00 33 1.1072913E+00 1.0000000E+00 1.0000000E+00 34 6.5678041E-01 1.0000000E+00 1.0000000E+00 35 3.8956371E-01 1.0000000E+00 1.0000000E+00 36 2.3106640E-01 1.0000000E+00 1.0000000E+00 37 1.3705507E-01 1.0000000E+00 1.0000000E+00 38 8.1293050E-02 1.0000000E+00 1.0000000E+00 39 4.8218281E-02 1.0000000E+00 1.0000000E+00 40 2.8600263E-02 1.0000000E+00 1.0000000E+00 41 1.6964003E-02 1.0000000E+00 1.0000000E+00 42 1.0062054E-02 1.0000000E+00 1.0000000E+00 43 5.9682218E-03 1.0000000E+00 1.0000000E+00 44 3.5400000E-03 1.0000000E+00 1.0000000E+00 D- 1 8.2000000E+05 1.0000000E+00 1.0000000E+00 2 4.7626832E+05 1.0000000E+00 1.0000000E+00 3 2.7662380E+05 1.0000000E+00 1.0000000E+00 4 1.6066726E+05 1.0000000E+00 1.0000000E+00 5 9.3317959E+04 1.0000000E+00 1.0000000E+00 6 5.4200473E+04 1.0000000E+00 1.0000000E+00 7 3.1480449E+04 1.0000000E+00 1.0000000E+00 8 1.8284318E+04 1.0000000E+00 1.0000000E+00 9 1.0619807E+04 1.0000000E+00 1.0000000E+00 10 6.1681434E+03 1.0000000E+00 1.0000000E+00 11 3.5825504E+03 1.0000000E+00 1.0000000E+00 12 2.0807991E+03 1.0000000E+00 1.0000000E+00 13 1.2085594E+03 1.0000000E+00 1.0000000E+00 14 7.0194945E+02 1.0000000E+00 1.0000000E+00 15 4.0770279E+02 1.0000000E+00 1.0000000E+00 16 2.3679991E+02 1.0000000E+00 1.0000000E+00 17 1.3753695E+02 1.0000000E+00 1.0000000E+00 18 7.9883525E+01 1.0000000E+00 1.0000000E+00 19 4.6397552E+01 1.0000000E+00 1.0000000E+00 20 2.6948395E+01 1.0000000E+00 1.0000000E+00 21 1.5652033E+01 1.0000000E+00 1.0000000E+00 22 9.0909360E+00 1.0000000E+00 1.0000000E+00 23 5.2801523E+00 1.0000000E+00 1.0000000E+00 24 3.0667918E+00 1.0000000E+00 1.0000000E+00 25 1.7812388E+00 1.0000000E+00 1.0000000E+00 26 1.0345702E+00 1.0000000E+00 1.0000000E+00 27 6.0089395E-01 1.0000000E+00 1.0000000E+00 28 3.4900823E-01 1.0000000E+00 1.0000000E+00 29 2.0270923E-01 1.0000000E+00 1.0000000E+00 30 1.1773657E-01 1.0000000E+00 1.0000000E+00 31 6.8383167E-02 1.0000000E+00 1.0000000E+00 32 3.9717971E-02 1.0000000E+00 1.0000000E+00 33 2.3068794E-02 1.0000000E+00 1.0000000E+00 34 1.3398703E-02 1.0000000E+00 1.0000000E+00 35 7.7821678E-03 1.0000000E+00 1.0000000E+00 36 4.5200000E-03 1.0000000E+00 1.0000000E+00 D+ 1 1.6500000E+05 1.0000000E+00 1.0000000E+00 2 9.9977070E+04 1.0000000E+00 1.0000000E+00 3 6.0578269E+04 1.0000000E+00 1.0000000E+00 4 3.6705684E+04 1.0000000E+00 1.0000000E+00 5 2.2240768E+04 1.0000000E+00 1.0000000E+00 6 1.3476162E+04 1.0000000E+00 1.0000000E+00 7 8.1654983E+03 1.0000000E+00 1.0000000E+00 8 4.9476521E+03 1.0000000E+00 1.0000000E+00 9 2.9978894E+03 1.0000000E+00 1.0000000E+00 10 1.8164861E+03 1.0000000E+00 1.0000000E+00 11 1.1006482E+03 1.0000000E+00 1.0000000E+00 12 6.6690656E+02 1.0000000E+00 1.0000000E+00 13 4.0409311E+02 1.0000000E+00 1.0000000E+00 14 2.4484876E+02 1.0000000E+00 1.0000000E+00 15 1.4835916E+02 1.0000000E+00 1.0000000E+00 16 8.9894024E+01 1.0000000E+00 1.0000000E+00 17 5.4468734E+01 1.0000000E+00 1.0000000E+00 18 3.3003784E+01 1.0000000E+00 1.0000000E+00 19 1.9997707E+01 1.0000000E+00 1.0000000E+00 20 1.2117043E+01 1.0000000E+00 1.0000000E+00 21 7.3419786E+00 1.0000000E+00 1.0000000E+00 22 4.4486637E+00 1.0000000E+00 1.0000000E+00 23 2.6955416E+00 1.0000000E+00 1.0000000E+00 24 1.6332869E+00 1.0000000E+00 1.0000000E+00 25 9.8964389E-01 1.0000000E+00 1.0000000E+00 26 5.9964664E-01 1.0000000E+00 1.0000000E+00 27 3.6333887E-01 1.0000000E+00 1.0000000E+00 28 2.2015488E-01 1.0000000E+00 1.0000000E+00 29 1.3339661E-01 1.0000000E+00 1.0000000E+00 30 8.0827890E-02 1.0000000E+00 1.0000000E+00 31 4.8975367E-02 1.0000000E+00 1.0000000E+00 32 2.9675234E-02 1.0000000E+00 1.0000000E+00 33 1.7980866E-02 1.0000000E+00 1.0000000E+00 34 1.0894996E-02 1.0000000E+00 1.0000000E+00 35 6.6015138E-03 1.0000000E+00 1.0000000E+00 36 4.0000000E-03 1.0000000E+00 1.0000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ -5.2968486E+02 -7.2079778E+01 -1.1224454E+01 -1.1877460E+00 ------------ ------------ ------------ ------------ *** Large-Component *** 1 -5.4910606E-07 1.7814355E-07 7.1761904E-08 2.2909260E-08 2 3.1511610E-06 -1.0220523E-06 -4.1165193E-07 -1.3142020E-07 3 -5.9426711E-07 1.9230047E-07 7.7850170E-08 2.4808486E-08 4 6.7231255E-06 -2.1812652E-06 -8.7909253E-07 -2.8059948E-07 5 2.5132683E-06 -8.1815970E-07 -3.2797328E-07 -1.0489264E-07 6 1.2903940E-05 -4.1904212E-06 -1.6899318E-06 -5.3932949E-07 7 1.1778491E-05 -3.8347376E-06 -1.5402671E-06 -4.9228919E-07 8 2.7996798E-05 -9.1070777E-06 -3.6749942E-06 -1.1727443E-06 9 3.6760093E-05 -1.1986748E-05 -4.8172012E-06 -1.5395094E-06 10 6.9551652E-05 -2.2679641E-05 -9.1571565E-06 -2.9221079E-06 11 1.0811343E-04 -3.5338663E-05 -1.4206979E-05 -4.5404560E-06 12 1.9348109E-04 -6.3283268E-05 -2.5564688E-05 -8.1580675E-06 13 3.2880659E-04 -1.0780697E-04 -4.3359214E-05 -1.3858018E-05 14 5.9279585E-04 -1.9458161E-04 -7.8641835E-05 -2.5097600E-05 15 1.0648651E-03 -3.5046908E-04 -1.4103868E-04 -4.5079381E-05 16 1.9682453E-03 -6.4902375E-04 -2.6243255E-04 -8.3763214E-05 17 3.6645252E-03 -1.2129863E-03 -4.8859085E-04 -1.5617481E-04 18 6.9137920E-03 -2.2984495E-03 -9.3018300E-04 -2.9696436E-04 19 1.3078521E-02 -4.3832744E-03 -1.7688651E-03 -5.6551100E-04 20 2.4687324E-02 -8.3762216E-03 -3.3982703E-03 -1.0854428E-03 21 4.5891206E-02 -1.5918430E-02 -6.4544628E-03 -2.0648546E-03 22 8.2553364E-02 -2.9710490E-02 -1.2147118E-02 -3.8848831E-03 23 1.3939188E-01 -5.3514841E-02 -2.1998535E-02 -7.0525523E-03 24 2.1022578E-01 -9.0071871E-02 -3.7724023E-02 -1.2110091E-02 25 2.5925696E-01 -1.3344706E-01 -5.7172340E-02 -1.8452821E-02 26 2.2535615E-01 -1.4922971E-01 -6.6994507E-02 -2.1729557E-02 27 1.0928784E-01 -6.6154744E-02 -3.0418769E-02 -9.9959474E-03 28 2.0516528E-02 1.7343149E-01 9.6203911E-02 3.2389068E-02 29 1.3810920E-03 4.4749843E-01 3.2042130E-01 1.1234783E-01 30 6.6159075E-05 4.0350703E-01 3.9082343E-01 1.4408912E-01 31 4.4329542E-05 1.3816425E-01 6.9206775E-02 2.1319292E-02 32 -1.0773382E-04 1.6718841E-02 -4.0888544E-01 -1.7910395E-01 33 3.6329449E-05 1.6496097E-03 -5.8352956E-01 -3.6742831E-01 34 -4.3986873E-05 5.7820802E-04 -2.7038386E-01 -3.0104307E-01 35 3.2378289E-05 -2.2862948E-04 -3.6248103E-02 9.2585510E-02 36 -2.2598399E-05 1.3233477E-04 -2.5624397E-03 4.2058778E-01 37 1.7895999E-05 -1.5317135E-04 -5.6162417E-04 4.6929675E-01 38 -1.2472061E-05 9.1172828E-05 -3.3796624E-04 2.6030594E-01 39 8.9826631E-06 -7.2652106E-05 -3.0448073E-06 5.6002827E-02 40 -6.0322559E-06 4.8282401E-05 -3.0897444E-05 2.9599211E-03 41 3.7484789E-06 -3.0269747E-05 1.3826079E-05 1.4082371E-04 42 -2.0027076E-06 1.6233715E-05 -6.6579674E-06 -3.8917587E-05 43 8.0628055E-07 -6.5503562E-06 2.5087078E-06 1.3280461E-05 44 -1.7795007E-07 1.4473870E-06 -5.3776821E-07 -2.6307570E-06 *** Small-Component *** 45 -1.8498334E-06 5.9929075E-07 2.4201339E-07 7.7194048E-08 46 3.1831161E-06 -1.0308291E-06 -4.1811080E-07 -1.3317704E-07 47 5.9985473E-06 -1.9461204E-06 -7.7611353E-07 -2.4855587E-07 48 1.1154910E-05 -3.6118147E-06 -1.4671098E-06 -4.6708789E-07 49 1.9235202E-05 -6.2400664E-06 -2.4911865E-06 -7.9754850E-07 50 3.0194834E-05 -9.7782904E-06 -3.9670247E-06 -1.2634916E-06 51 4.7707989E-05 -1.5475633E-05 -6.1861556E-06 -1.9796763E-06 52 7.3194190E-05 -2.3708497E-05 -9.6051472E-06 -3.0605926E-06 53 1.1237338E-04 -3.6450674E-05 -1.4589441E-05 -4.6669611E-06 54 1.7116603E-04 -5.5458467E-05 -2.2441741E-05 -7.1536148E-06 55 2.6047715E-04 -8.4500372E-05 -3.3859152E-05 -1.0827342E-05 56 3.9553551E-04 -1.2821370E-04 -5.1834433E-05 -1.6528229E-05 57 6.0001033E-04 -1.9473497E-04 -7.8104622E-05 -2.4969154E-05 58 9.0932584E-04 -2.9504591E-04 -1.1920136E-04 -3.8019553E-05 59 1.3762417E-03 -4.4727199E-04 -1.7955439E-04 -5.7390039E-05 60 2.0797253E-03 -6.7646452E-04 -2.7321172E-04 -8.7163530E-05 61 3.1337988E-03 -1.0225073E-03 -4.1092973E-04 -1.3133032E-04 62 4.7017089E-03 -1.5398618E-03 -6.2217464E-04 -1.9855412E-04 63 6.9991089E-03 -2.3104078E-03 -9.3036266E-04 -2.9736772E-04 64 1.0283237E-02 -3.4363223E-03 -1.3916246E-03 -4.4434711E-04 65 1.4762292E-02 -5.0445634E-03 -2.0413698E-03 -6.5288172E-04 66 2.0366380E-02 -7.2241296E-03 -2.9484086E-03 -9.4267686E-04 67 2.6236910E-02 -9.9339207E-03 -4.0764639E-03 -1.3065495E-03 68 3.0064122E-02 -1.2712628E-02 -5.3161593E-03 -1.7061620E-03 69 2.8083818E-02 -1.4279395E-02 -6.1093021E-03 -1.9714212E-03 70 1.8444381E-02 -1.2084044E-02 -5.4200130E-03 -1.7577301E-03 71 6.7460190E-03 -4.0690501E-03 -1.8734003E-03 -6.1569354E-04 72 9.5373846E-04 7.9296470E-03 4.3881497E-03 1.4768571E-03 73 4.8215180E-05 1.5457998E-02 1.1049789E-02 3.8734389E-03 74 1.6661316E-06 1.0500313E-02 1.0156762E-02 3.7441995E-03 75 9.0949978E-07 2.7060101E-03 1.3569691E-03 4.1863125E-04 76 -1.6236456E-06 2.4648624E-04 -6.0149606E-03 -2.6340326E-03 77 4.2560692E-07 1.8201604E-05 -6.4612067E-03 -4.0673814E-03 78 -3.8278526E-07 4.8764492E-06 -2.2529183E-03 -2.5078712E-03 79 2.1423747E-07 -1.4751868E-06 -2.2727140E-04 5.8023049E-04 80 -1.1426091E-07 6.5398438E-07 -1.2081413E-05 1.9836169E-03 81 6.8827428E-08 -5.6508982E-07 -1.9981943E-06 1.6654368E-03 82 -3.6944910E-08 2.5865540E-07 -8.9885862E-07 6.9508799E-04 83 2.0518970E-08 -1.5656881E-07 -8.7804787E-09 1.1252276E-04 84 -1.0745910E-08 8.0119905E-08 -4.4876698E-08 4.4747332E-06 85 5.2645631E-09 -3.8913313E-08 1.4546031E-08 1.6031574E-07 86 -2.2517267E-09 1.6368297E-08 -5.0255433E-09 -3.3408064E-08 87 7.4317686E-10 -5.2771005E-09 1.3192319E-09 8.6079774E-09 88 -1.3964710E-10 9.5885378E-10 -1.8732997E-10 -1.2899046E-09 2P- 3P- 4P- -6.4874797E+01 -8.6198906E+00 -5.4151565E-01 ------------ ------------ ------------ *** Large-Component *** 1 -5.7444912E-08 2.3446354E-08 -6.3944397E-09 2 9.2131887E-08 -3.7615138E-08 1.0259438E-08 3 2.4425260E-07 -9.9632718E-08 2.7168329E-08 4 3.5904569E-07 -1.4659909E-07 3.9984003E-08 5 7.4100079E-07 -3.0225100E-07 8.2422978E-08 6 1.0471900E-06 -4.2757298E-07 1.1660736E-07 7 1.8019113E-06 -7.3494239E-07 2.0043668E-07 8 2.6587005E-06 -1.0856459E-06 2.9603733E-07 9 4.2602351E-06 -1.7374307E-06 4.7391444E-07 10 6.4496467E-06 -2.6340820E-06 7.1813952E-07 11 1.0099814E-05 -4.1183268E-06 1.1235916E-06 12 1.5554810E-05 -6.3546434E-06 1.7320844E-06 13 2.4371806E-05 -9.9361859E-06 2.7116761E-06 14 3.8356512E-05 -1.5678085E-05 4.2721816E-06 15 6.1478340E-05 -2.5062781E-05 6.8422831E-06 16 1.0103506E-04 -4.1334281E-05 1.1260864E-05 17 1.7187695E-04 -7.0102256E-05 1.9145060E-05 18 3.0821516E-04 -1.2627947E-04 3.4402852E-05 19 5.8597898E-04 -2.3944781E-04 6.5413337E-05 20 1.1960624E-03 -4.9134193E-04 1.3392571E-04 21 2.5890143E-03 -1.0629567E-03 2.9047418E-04 22 5.8833598E-03 -2.4322935E-03 6.6381310E-04 23 1.3621609E-02 -5.6588949E-03 1.5482290E-03 24 3.1368442E-02 -1.3216843E-02 3.6176420E-03 25 6.9100528E-02 -2.9684142E-02 8.1562211E-03 26 1.3819188E-01 -6.1320501E-02 1.6906307E-02 27 2.3340699E-01 -1.0759992E-01 2.9862260E-02 28 3.0518284E-01 -1.4775315E-01 4.1300518E-02 29 2.5675586E-01 -1.0591883E-01 2.8600791E-02 30 1.1133700E-01 8.4457025E-02 -3.2303146E-02 31 2.0571122E-02 3.1432174E-01 -1.0843157E-01 32 1.9918420E-03 4.0695337E-01 -1.5375731E-01 33 4.5938875E-04 2.6340690E-01 -1.1156526E-01 34 2.9235255E-05 7.0980194E-02 6.6940771E-02 35 2.4072025E-05 8.1330630E-03 2.6122862E-01 36 -2.0156995E-05 3.9410633E-04 3.4499072E-01 37 1.1830479E-05 5.1664848E-04 3.0035044E-01 38 -9.1215087E-06 -2.5776908E-04 1.6535991E-01 39 6.3672402E-06 2.0340748E-04 4.3168759E-02 40 -4.3230306E-06 -1.4145628E-04 2.9162785E-03 41 2.7382477E-06 9.1407987E-05 6.3179136E-05 42 -1.5199971E-06 -5.1628937E-05 -5.0041045E-06 43 6.5433254E-07 2.2565631E-05 -9.3179335E-06 44 -1.6009906E-07 -5.6019757E-06 5.7210253E-06 *** Small-Component *** 45 -6.3085204E-09 2.6836986E-09 -7.1101512E-10 46 2.0619312E-08 -8.8190913E-09 2.3266416E-09 47 2.9318615E-08 -1.1082434E-08 3.1949509E-09 48 7.4277311E-08 -3.1856358E-08 8.3865381E-09 49 1.1423177E-07 -4.4213965E-08 1.2528594E-08 50 2.0578154E-07 -8.7571289E-08 2.3187502E-08 51 3.1591233E-07 -1.2380657E-07 3.4764295E-08 52 5.3139475E-07 -2.2428129E-07 5.9752393E-08 53 8.2459364E-07 -3.2633325E-07 9.0994532E-08 54 1.3763171E-06 -5.7663874E-07 1.5447866E-07 55 2.1923638E-06 -8.7499031E-07 2.4256015E-07 56 3.7167407E-06 -1.5472236E-06 4.1654051E-07 57 6.1503774E-06 -2.4729760E-06 6.8217810E-07 58 1.0729119E-05 -4.4423834E-06 1.2011312E-06 59 1.8570206E-05 -7.5138992E-06 2.0645425E-06 60 3.3538255E-05 -1.3830747E-05 3.7522321E-06 61 6.0677395E-05 -2.4675363E-05 6.7611402E-06 62 1.1322988E-04 -4.6587952E-05 1.2669806E-05 63 2.1214580E-04 -8.6641596E-05 2.3700456E-05 64 4.0451853E-04 -1.6646864E-04 4.5351130E-05 65 7.6966770E-04 -3.1603014E-04 8.6395752E-05 66 1.4622969E-03 -6.0487720E-04 1.6506344E-04 67 2.7196324E-03 -1.1299344E-03 3.0917028E-04 68 4.8960359E-03 -2.0632627E-03 5.6473646E-04 69 8.2827544E-03 -3.5586101E-03 9.7782148E-04 70 1.2584694E-02 -5.5861327E-03 1.5401688E-03 71 1.6042811E-02 -7.3997061E-03 2.0537857E-03 72 1.5768196E-02 -7.6416331E-03 2.1362773E-03 73 9.9368729E-03 -4.1080572E-03 1.1097194E-03 74 3.2034229E-03 2.4667130E-03 -9.4223226E-04 75 4.1897186E-04 6.8637011E-03 -2.3670728E-03 76 1.2596095E-05 6.6532915E-03 -2.5132553E-03 77 -7.2601577E-06 3.2247370E-03 -1.3656802E-03 78 -8.1661344E-06 6.5105392E-04 6.1270729E-04 79 -5.1864443E-06 5.6232315E-05 1.7913389E-03 80 -3.7213524E-06 2.3097199E-06 1.7713068E-03 81 -2.0918156E-06 2.1633565E-06 1.1545664E-03 82 -1.6941910E-06 -6.1035094E-07 4.7585708E-04 83 -6.7947373E-07 4.9643613E-07 9.2983370E-05 84 -9.7657535E-07 -1.5134001E-07 4.6466095E-06 85 4.9829905E-08 1.0755587E-07 7.8934056E-08 86 -7.8458087E-07 1.6045602E-08 -5.1934488E-08 87 3.4484215E-07 -1.2301528E-08 1.4501537E-08 88 -4.5275517E-07 3.3654738E-08 -2.4530416E-08 2P+ 3P+ 4P+ -6.2879192E+01 -8.3127861E+00 -5.1434853E-01 ------------ ------------ ------------ *** Large-Component *** 1 8.8408078E-09 -3.6209577E-09 -9.7777544E-10 2 -1.1468103E-08 4.7097999E-09 1.2648734E-09 3 2.9141486E-08 -1.1969669E-08 -3.2144924E-09 4 -1.1337635E-08 4.7334517E-09 1.2294666E-09 5 5.7666952E-08 -2.3775941E-08 -6.3403014E-09 6 3.3916364E-08 -1.3574168E-08 -3.8418348E-09 7 1.5616115E-07 -6.4467965E-08 -1.7161861E-08 8 2.5169625E-07 -1.0213671E-07 -2.8142949E-08 9 6.1861641E-07 -2.5493677E-07 -6.8163205E-08 10 1.3035658E-06 -5.3122119E-07 -1.4526331E-07 11 2.9581612E-06 -1.2166782E-06 -3.2686109E-07 12 6.7306186E-06 -2.7499265E-06 -7.4881182E-07 13 1.5465809E-05 -6.3534893E-06 -1.7125606E-06 14 3.6291846E-05 -1.4855783E-05 -4.0352096E-06 15 8.5230863E-05 -3.5005323E-05 -9.4552184E-06 16 2.0319447E-04 -8.3333261E-05 -2.2605221E-05 17 4.8351195E-04 -1.9881633E-04 -5.3774333E-05 18 1.1559706E-03 -4.7560827E-04 -1.2895773E-04 19 2.7387705E-03 -1.1309618E-03 -3.0626326E-04 20 6.4185476E-03 -2.6613690E-03 -7.2203197E-04 21 1.4664528E-02 -6.1309333E-03 -1.6635418E-03 22 3.2344044E-02 -1.3696511E-02 -3.7255975E-03 23 6.7186312E-02 -2.9056278E-02 -7.9213041E-03 24 1.2664536E-01 -5.6373076E-02 -1.5437224E-02 25 2.0604855E-01 -9.5108868E-02 -2.6168003E-02 26 2.7252745E-01 -1.3172071E-01 -3.6544478E-02 27 2.5707913E-01 -1.1915224E-01 -3.2705257E-02 28 1.4710614E-01 3.9364527E-03 5.5863096E-03 29 4.4315550E-02 1.9743530E-01 6.8085952E-02 30 6.4014995E-03 3.4683153E-01 1.2102808E-01 31 1.0448266E-03 3.4338579E-01 1.3854597E-01 32 1.9573302E-04 1.8409004E-01 6.8282111E-02 33 6.6672295E-05 4.7687423E-02 -9.1941598E-02 34 -2.4913698E-05 5.8790838E-03 -2.4134204E-01 35 1.4781129E-05 8.7705852E-04 -3.0810131E-01 36 -1.4069720E-05 1.5622630E-04 -2.8207249E-01 37 9.7247032E-06 4.9151366E-05 -1.8303378E-01 38 -7.2208482E-06 -1.4817026E-05 -7.0164483E-02 39 5.1493157E-06 1.2341524E-05 -1.1317142E-02 40 -3.5162863E-06 -8.4963736E-06 -3.9436551E-04 41 2.2140611E-06 5.3957046E-06 -7.9831717E-06 42 -1.2001950E-06 -2.9468424E-06 1.4562757E-06 43 4.9144738E-07 1.2181126E-06 -7.8590487E-08 44 -1.1194041E-07 -2.8000468E-07 -4.6621329E-08 *** Small-Component *** 45 2.8208058E-08 -1.1600625E-08 -3.1062191E-09 46 -1.7963821E-08 7.6018479E-09 1.9232792E-09 47 6.5060007E-08 -2.7194429E-08 -7.0520565E-09 48 2.4074863E-08 -8.8008842E-09 -2.9328833E-09 49 1.2915591E-07 -5.4467936E-08 -1.3876362E-08 50 1.8941790E-07 -7.5062858E-08 -2.1585513E-08 51 3.9167276E-07 -1.6360139E-07 -4.2485946E-08 52 7.4850225E-07 -3.0143480E-07 -8.4067464E-08 53 1.4010009E-06 -5.7949218E-07 -1.5344395E-07 54 2.7425022E-06 -1.1130060E-06 -3.0586784E-07 55 5.1377944E-06 -2.1135697E-06 -5.6578292E-07 56 9.9716072E-06 -4.0632270E-06 -1.1082566E-06 57 1.8827299E-05 -7.7250849E-06 -2.0794347E-06 58 3.6232711E-05 -1.4798822E-05 -4.0212304E-06 59 6.8645711E-05 -2.8144017E-05 -7.5972710E-06 60 1.3110984E-04 -5.3658072E-05 -1.4554389E-05 61 2.4764309E-04 -1.0163129E-04 -2.7478263E-05 62 4.6717785E-04 -1.9182671E-04 -5.2001578E-05 63 8.6841701E-04 -3.5791611E-04 -9.6895338E-05 64 1.5900728E-03 -6.5805244E-04 -1.7848826E-04 65 2.8280211E-03 -1.1801938E-03 -3.2014928E-04 66 4.8422046E-03 -2.0469369E-03 -5.5666407E-04 67 7.7908607E-03 -3.3638935E-03 -9.1686717E-04 68 1.1354523E-02 -5.0468162E-03 -1.3817660E-03 69 1.4263068E-02 -6.5751205E-03 -1.8087682E-03 70 1.4553197E-02 -7.0260693E-03 -1.9490531E-03 71 1.0584333E-02 -4.9021488E-03 -1.3455413E-03 72 4.6669210E-03 1.2102409E-04 1.7566169E-04 73 1.0829551E-03 4.8155721E-03 1.6604018E-03 74 1.2046003E-04 6.5177916E-03 2.2740512E-03 75 1.5138132E-05 4.9707185E-03 2.0052241E-03 76 2.1798267E-06 2.0524795E-03 7.6124802E-04 77 5.7482878E-07 4.0948861E-04 -7.8926494E-04 78 -1.6650404E-07 3.8878051E-05 -1.5957195E-03 79 7.6516455E-08 4.4677395E-06 -1.5689269E-03 80 -5.6102500E-08 6.1201988E-07 -1.1062460E-03 81 3.0045805E-08 1.4902200E-07 -5.5284413E-04 82 -1.7282756E-08 -3.4872177E-08 -1.6321833E-04 83 9.5622694E-09 2.2397281E-08 -2.0275307E-05 84 -5.0678169E-09 -1.1917154E-08 -5.4415922E-07 85 2.4738835E-09 5.8551215E-09 -8.4662842E-09 86 -1.0413736E-09 -2.4784504E-09 1.1799795E-09 87 3.3464808E-10 7.9664076E-10 -4.4062777E-11 88 -6.1494001E-11 -1.4321618E-10 -2.3809309E-11 3D- -3.7776462E+00 ------------ *** Large-Component *** 1 2.0110305E-08 2 -1.8351377E-08 3 5.7615803E-08 4 -1.5930091E-09 5 1.2364647E-07 6 1.2563101E-07 7 3.8808051E-07 8 7.2815605E-07 9 1.7604011E-06 10 4.1671932E-06 11 1.0740034E-05 12 2.9331636E-05 13 8.3701384E-05 14 2.4724594E-04 15 7.3782469E-04 16 2.2000356E-03 17 6.3444238E-03 18 1.6935347E-02 19 4.0643666E-02 20 8.7426562E-02 21 1.5870479E-01 22 2.2847724E-01 23 2.6394537E-01 24 2.4054576E-01 25 1.5620829E-01 26 6.6286085E-02 27 1.7361303E-02 28 2.8753283E-03 29 4.9531267E-04 30 6.7927142E-05 31 1.3488075E-05 32 -4.5932330E-06 33 3.0668956E-06 34 -1.7471349E-06 35 7.8078394E-07 36 -2.0215931E-07 *** Small-Component *** 37 2.1367271E-09 38 3.8929687E-10 39 5.0838796E-09 40 9.0075712E-09 41 1.9429867E-08 42 4.9952876E-08 43 1.0657331E-07 44 2.7094989E-07 45 6.2694520E-07 46 1.5663783E-06 47 3.7885508E-06 48 9.4018154E-06 49 2.2954192E-05 50 5.5920888E-05 51 1.3356368E-04 52 3.1286184E-04 53 7.0030169E-04 54 1.4403993E-03 55 2.6511676E-03 56 4.3613889E-03 57 6.0456763E-03 58 6.6403473E-03 59 5.8496623E-03 60 4.0639689E-03 61 2.0113216E-03 62 6.5021440E-04 63 1.2957449E-04 64 1.6220248E-05 65 2.0627160E-06 66 1.7849428E-07 67 1.1715427E-08 68 -2.1939311E-08 69 2.2323202E-10 70 -7.0250055E-09 71 1.1864403E-09 72 -2.3850283E-09 3D+ -3.7267895E+00 ------------ *** Large-Component *** 1 4.8278374E-09 2 -1.5986025E-09 3 2.1365276E-08 4 2.8366254E-08 5 1.1759876E-07 6 3.1300117E-07 7 9.4874349E-07 8 2.8132774E-06 9 8.3609809E-06 10 2.4957283E-05 11 7.3694607E-05 12 2.1602702E-04 13 6.2254983E-04 14 1.7624069E-03 15 4.8105450E-03 16 1.2278036E-02 17 2.8529277E-02 18 6.0395330E-02 19 1.1336047E-01 20 1.7736216E-01 21 2.2762231E-01 22 2.4370496E-01 23 2.0899251E-01 24 1.3158124E-01 25 5.7345245E-02 26 1.6488349E-02 27 3.2087439E-03 28 5.9900788E-04 29 1.2703801E-04 30 1.3184941E-05 31 3.5696362E-06 32 -1.8549994E-06 33 1.2278228E-06 34 -6.9343992E-07 35 2.9916515E-07 36 -7.2886102E-08 *** Small-Component *** 37 1.0286507E-08 38 -3.8579237E-10 39 3.2050351E-08 40 4.5029852E-08 41 1.3225174E-07 42 3.0180952E-07 43 7.2453041E-07 44 1.7356896E-06 45 4.1018351E-06 46 9.7208707E-06 47 2.2667287E-05 48 5.2319060E-05 49 1.1837547E-04 50 2.6255376E-04 51 5.6049275E-04 52 1.1172348E-03 53 2.0252090E-03 54 3.3423576E-03 55 4.8883563E-03 56 5.9568538E-03 57 5.9525143E-03 58 4.9616559E-03 59 3.3124106E-03 60 1.6234430E-03 61 5.5075159E-04 62 1.2326639E-04 63 1.8672604E-05 64 2.7133717E-06 65 4.4790252E-07 66 3.6206119E-08 67 7.6127306E-09 68 -3.0755490E-09 69 1.5834785E-09 70 -6.9539412E-10 71 2.3315309E-10 72 -4.4099191E-11 RADIAL MOMENTS Sym Orb

S+ 1 2.81615E+03 3.67689E+01 4.14703E-02 2.31677E-03 1.63076E-04 1.38699E-05 2 2.96405E+02 8.25631E+00 1.82700E-01 3.94282E-02 9.70728E-03 2.69993E-03 3 4.93290E+01 2.72222E+00 5.27073E-01 3.18969E-01 2.14877E-01 1.60014E-01 4 5.32885E+00 8.22985E-01 1.60078E+00 2.93657E+00 6.06347E+00 1.40331E+01 P- 1 9.56624E+01 8.19032E+00 1.57384E-01 3.04070E-02 6.99047E-03 1.87112E-03 2 1.55631E+01 2.60128E+00 5.31403E-01 3.29930E-01 2.31392E-01 1.81870E-01 3 1.39030E+00 6.84872E-01 1.91469E+00 4.28948E+00 1.10657E+01 3.26808E+01 P+ 1 8.53955E+01 7.90942E+00 1.61316E-01 3.18191E-02 7.45400E-03 2.03102E-03 2 1.39630E+01 2.53679E+00 5.41179E-01 3.42001E-01 2.44118E-01 1.95279E-01 3 1.24820E+00 6.68057E-01 1.95862E+00 4.49257E+00 1.18788E+01 3.59926E+01 D- 1 6.76952E+00 2.28319E+00 5.50490E-01 3.71496E-01 3.01206E-01 2.88608E-01 D+ 1 6.65251E+00 2.26584E+00 5.54274E-01 3.76508E-01 3.07234E-01 2.96259E-01 *******************************************************************************************