******************************************************************************************* Y [Kr]5s(2)4d(1) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 39.0 Atomic Mass = 89.0 Nuclear Radius = 1.049656E-04 Speed of Light = 137.0359955 S+ P- P+ D- D+ Number of Closed Shells 5 3 3 1 1 Open Shells 0 0 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.40000000 0.0 0.0 0.0 1.0 0.0 0.0 0.0 2 0.60000000 0.0 0.0 0.0 0.0 1.0 0.0 0.0 ENERGIES Total Energy = -3.38376171459397E+03 Mass Energy = -3.38369035998460E+03 Kinetic Energy = 6.87584460491396E+03 Potential Energy = -6.87591595952332E+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+ 5S+ -6.3006803E+02 -8.8905689E+01 -1.5317556E+01 -2.2393178E+00 -2.0134951E-01 ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 -7.7859067E-07 2.5580807E-07 -1.0577549E-07 3.8955784E-08 -1.0469218E-08 2 4.1764599E-06 -1.3718636E-06 5.6721795E-07 -2.0888279E-07 5.6136174E-08 3 -6.3255317E-07 2.0666987E-07 -8.5678325E-08 3.1735775E-08 -8.5313118E-09 4 8.8667916E-06 -2.9130668E-06 1.2048239E-06 -4.4391125E-07 1.1930214E-07 5 3.6589190E-06 -1.2081151E-06 4.9870061E-07 -1.8291786E-07 4.9147967E-08 6 1.7130287E-05 -5.6329375E-06 2.3306034E-06 -8.5909887E-07 2.3089226E-07 7 1.6057358E-05 -5.3011952E-06 2.1899992E-06 -8.0440073E-07 2.1614694E-07 8 3.7174944E-05 -1.2246220E-05 5.0689356E-06 -1.8691648E-06 5.0237675E-07 9 4.9012104E-05 -1.6208988E-05 6.6986612E-06 -2.4611746E-06 6.6133441E-07 10 9.1603236E-05 -3.0257634E-05 1.2530154E-05 -4.6217450E-06 1.2422369E-06 11 1.4175377E-04 -4.7010940E-05 1.9435632E-05 -7.1415408E-06 1.9189664E-06 12 2.5141158E-04 -8.3334512E-05 3.4528383E-05 -1.2738349E-05 3.4239393E-06 13 4.2413875E-04 -1.4117231E-04 5.8392643E-05 -2.1457883E-05 5.7658533E-06 14 7.5836172E-04 -2.5243170E-04 1.0465067E-04 -3.8612627E-05 1.0378880E-05 15 1.3518082E-03 -4.5198214E-04 1.8707011E-04 -6.8754718E-05 1.8475078E-05 16 2.4792461E-03 -8.2979618E-04 3.4424422E-04 -1.2702015E-04 3.4142801E-05 17 4.5818198E-03 -1.5423815E-03 6.3900091E-04 -2.3492228E-04 6.3127902E-05 18 8.5779555E-03 -2.8990528E-03 1.2041513E-03 -4.4434155E-04 1.1944051E-04 19 1.6094618E-02 -5.4977942E-03 2.2824433E-03 -8.3954657E-04 2.2561515E-04 20 3.0078052E-02 -1.0412437E-02 4.3386198E-03 -1.6016069E-03 4.3054450E-04 21 5.5182749E-02 -1.9623497E-02 8.1923741E-03 -3.0166668E-03 8.1079737E-04 22 9.7355381E-02 -3.6106599E-02 1.5186979E-02 -5.6148278E-03 1.5097053E-03 23 1.5950791E-01 -6.3846430E-02 2.7097678E-02 -1.0006460E-02 2.6905104E-03 24 2.2882344E-01 -1.0389017E-01 4.4979918E-02 -1.6715113E-02 4.4974711E-03 25 2.5923522E-01 -1.4466677E-01 6.4508000E-02 -2.4012335E-02 6.4636704E-03 26 1.9550923E-01 -1.3828658E-01 6.4684357E-02 -2.4412681E-02 6.5819468E-03 27 7.5151800E-02 -9.0030297E-03 2.8325235E-03 -8.5691981E-04 2.2528466E-04 28 9.6617089E-03 2.7433601E-01 -1.6912933E-01 6.6473247E-02 -1.8030892E-02 29 7.4547224E-04 4.8040802E-01 -3.9420544E-01 1.6480732E-01 -4.5069467E-02 30 -8.9282029E-05 3.1988622E-01 -3.3578499E-01 1.4397815E-01 -3.9504490E-02 31 5.5158073E-05 7.7728026E-02 1.0135553E-01 -4.9436125E-02 1.3563362E-02 32 -1.1311498E-04 6.8663584E-03 5.7281004E-01 -3.4290474E-01 9.9282553E-02 33 5.0809965E-05 9.3972872E-04 5.0510259E-01 -4.9713396E-01 1.5551769E-01 34 -4.4138111E-05 9.8950141E-05 1.2751161E-01 -1.2546542E-01 3.4244602E-02 35 3.5487964E-05 -1.3715238E-04 1.2799765E-02 4.1814728E-01 -1.5308985E-01 36 -2.4004466E-05 1.6392329E-05 -1.1329230E-03 6.0797055E-01 -2.7402619E-01 37 1.8638742E-05 -5.6047720E-05 2.3651660E-03 2.9394245E-01 -2.5908426E-01 38 -1.3271836E-05 3.2304372E-05 -1.5001502E-03 4.1372661E-02 -4.7015845E-02 39 9.3976639E-06 -2.4668223E-05 1.1443032E-03 2.1610939E-03 2.4574447E-01 40 -6.3326141E-06 1.6735143E-05 -7.8788582E-04 -9.1479010E-05 4.7262559E-01 41 3.9309736E-06 -1.0481162E-05 4.9803280E-04 1.5747462E-04 4.0180648E-01 42 -2.0996822E-06 5.6206392E-06 -2.6893460E-04 -7.1915805E-05 1.1350543E-01 43 8.4502748E-07 -2.2667817E-06 1.0898991E-04 2.7856934E-05 4.5935395E-03 44 -1.8638039E-07 5.0040066E-07 -2.4142544E-05 -5.9789388E-06 1.0428224E-04 *** Small-Component *** 45 -2.1935893E-06 7.1900000E-07 -2.9763226E-07 1.0988397E-07 -2.9537403E-08 46 3.3323645E-06 -1.0897952E-06 4.5227620E-07 -1.6780697E-07 4.5126304E-08 47 8.0691362E-06 -2.6583696E-06 1.0945867E-06 -3.9986822E-07 1.0739026E-07 48 1.3484478E-05 -4.4091529E-06 1.8300850E-06 -6.7919226E-07 1.8265135E-07 49 2.4664720E-05 -8.1242100E-06 3.3460651E-06 -1.2230128E-06 3.2847226E-07 50 3.7726619E-05 -1.2344267E-05 5.1201572E-06 -1.8976696E-06 5.1027136E-07 51 6.0378646E-05 -1.9879831E-05 8.1920002E-06 -2.9972629E-06 8.0506425E-07 52 9.1943981E-05 -3.0105160E-05 1.2479167E-05 -4.6193424E-06 1.2419799E-06 53 1.4144381E-04 -4.6552903E-05 1.9194081E-05 -7.0302719E-06 1.8885062E-06 54 2.1474095E-04 -7.0360726E-05 2.9151138E-05 -1.0779570E-05 2.8979953E-06 55 3.2655979E-04 -1.0746163E-04 4.4329562E-05 -1.6251913E-05 4.3660230E-06 56 4.9469452E-04 -1.6222312E-04 6.7185593E-05 -2.4823362E-05 6.6730779E-06 57 7.4928749E-04 -2.4664292E-04 1.0179208E-04 -3.7347513E-05 1.0033960E-05 58 1.1328876E-03 -3.7201768E-04 1.5404184E-04 -5.6877248E-05 1.5289060E-05 59 1.7111215E-03 -5.6405226E-04 2.3291655E-04 -8.5512869E-05 2.2975608E-05 60 2.5786737E-03 -8.4941469E-04 3.5175627E-04 -1.2981762E-04 3.4894737E-05 61 3.8744668E-03 -1.2829593E-03 5.3025175E-04 -1.9479291E-04 5.2339936E-05 62 5.7897681E-03 -1.9229509E-03 7.9702424E-04 -2.9407532E-04 7.9046109E-05 63 8.5752345E-03 -2.8782828E-03 1.1920645E-03 -4.3822076E-04 1.1775676E-04 64 1.2503037E-02 -4.2522851E-03 1.7678884E-03 -6.5244551E-04 1.7538311E-04 65 1.7746622E-02 -6.2023618E-03 2.5834284E-03 -9.5085167E-04 2.5554763E-04 66 2.4041957E-02 -8.7674256E-03 3.6799456E-03 -1.3601044E-03 3.6568601E-04 67 3.0078807E-02 -1.1847557E-02 5.0181596E-03 -1.8523835E-03 4.9803921E-04 68 3.2802511E-02 -1.4667493E-02 6.3389636E-03 -2.3549717E-03 6.3361781E-04 69 2.8156933E-02 -1.5494310E-02 6.8984759E-03 -2.5671950E-03 6.9101603E-04 70 1.6045124E-02 -1.1218282E-02 5.2432464E-03 -1.9786023E-03 5.3344491E-04 71 4.6515320E-03 -5.9959177E-04 2.0440452E-04 -6.4712848E-05 1.7116035E-05 72 4.5008222E-04 1.2563921E-02 -7.7267103E-03 3.0355732E-03 -8.2335447E-04 73 2.6084838E-05 1.6606005E-02 -1.3600514E-02 5.6845921E-03 -1.5545005E-03 74 -2.4353425E-06 8.3280916E-03 -8.7301927E-03 3.7431728E-03 -1.0270430E-03 75 1.1457501E-06 1.5229434E-03 1.9774367E-03 -9.6379931E-04 2.6439436E-04 76 -1.7172888E-06 1.0124223E-04 8.4277976E-03 -5.0434517E-03 1.4601774E-03 77 5.9618863E-07 1.0384054E-05 5.5936414E-03 -5.5036454E-03 1.7216530E-03 78 -3.9040910E-07 8.4477771E-07 1.0625052E-03 -1.0454767E-03 2.8540012E-04 79 2.3822543E-07 -8.7501411E-07 8.0309160E-05 2.6208503E-03 -9.5949503E-04 80 -1.2401101E-07 8.7643462E-08 -5.3849398E-06 2.8674527E-03 -1.2923713E-03 81 7.3642462E-08 -2.0635388E-07 8.4240023E-06 1.0431674E-03 -9.1942336E-04 82 -4.0615045E-08 9.1488657E-08 -4.0271171E-06 1.1048252E-04 -1.2554803E-04 83 2.2411402E-08 -5.3186820E-08 2.3138859E-06 4.3399227E-06 4.9374386E-04 84 -1.1906488E-08 2.7725605E-08 -1.2009665E-06 -1.3672730E-07 7.1451262E-04 85 5.9183826E-09 -1.3442576E-08 5.7267477E-07 1.7812874E-07 4.5707120E-04 86 -2.5890148E-09 5.6503700E-09 -2.3356578E-07 -6.0991988E-08 9.7153071E-05 87 8.8187279E-10 -1.8212004E-09 7.1636079E-08 1.7698040E-08 2.9584511E-06 88 -1.7266059E-10 3.3162070E-10 -1.2051123E-08 -2.8383871E-09 5.0536894E-08 2P- 3P- 4P- -8.0850889E+01 -1.2295431E+01 -1.3433318E+00 ------------ ------------ ------------ *** Large-Component *** 1 -7.3538549E-08 3.1077024E-08 -1.0451173E-08 2 9.7574484E-08 -4.1273981E-08 1.3879747E-08 3 3.7125041E-07 -1.5668248E-07 5.2695955E-08 4 4.6399473E-07 -1.9624944E-07 6.5995714E-08 5 1.0723305E-06 -4.5251844E-07 1.5219332E-07 6 1.4275997E-06 -6.0376933E-07 2.0304002E-07 7 2.5546789E-06 -1.0778914E-06 3.6252456E-07 8 3.6777363E-06 -1.5556076E-06 5.2313178E-07 9 5.9791268E-06 -2.5221592E-06 8.4828123E-07 10 8.9504000E-06 -3.7870655E-06 1.2735400E-06 11 1.4096016E-05 -5.9439517E-06 1.9991809E-06 12 2.1574685E-05 -9.1338782E-06 3.0715944E-06 13 3.3899831E-05 -1.4288080E-05 4.8058385E-06 14 5.3111819E-05 -2.2506428E-05 7.5686793E-06 15 8.5318550E-05 -3.5945649E-05 1.2091484E-05 16 1.3960175E-04 -5.9240675E-05 1.9923301E-05 17 2.3795140E-04 -1.0027922E-04 3.3738154E-05 18 4.2435190E-04 -1.8043446E-04 6.0695119E-05 19 8.0695918E-04 -3.4083581E-04 1.1471197E-04 20 1.6340582E-03 -6.9692171E-04 2.3455953E-04 21 3.5231217E-03 -1.4971175E-03 5.0425763E-04 22 7.9122880E-03 -3.3991697E-03 1.1455365E-03 23 1.8124329E-02 -7.8162980E-03 2.6380962E-03 24 4.0937319E-02 -1.7988625E-02 6.0843372E-03 25 8.7757572E-02 -3.9391072E-02 1.3375539E-02 26 1.6727859E-01 -7.7940638E-02 2.6605957E-02 27 2.6412838E-01 -1.2825987E-01 4.4126087E-02 28 3.0653700E-01 -1.5406251E-01 5.3331106E-02 29 2.1214580E-01 -5.7211852E-02 1.5669694E-02 30 7.0404935E-02 1.7642102E-01 -7.9394731E-02 31 9.3582530E-03 3.9203508E-01 -1.7656673E-01 32 9.3983770E-04 3.8455326E-01 -2.0420599E-01 33 1.9162224E-04 1.6250524E-01 -3.0368161E-02 34 -2.6530664E-05 2.6025166E-02 2.5878249E-01 35 1.5598548E-05 1.5859268E-03 4.2415967E-01 36 -1.9677484E-05 4.4704255E-04 3.3635509E-01 37 1.3008446E-05 -1.8860781E-04 1.2349839E-01 38 -9.6305061E-06 1.1912025E-04 2.1180798E-02 39 6.9571593E-06 -1.0980144E-04 2.6379869E-03 40 -4.6813264E-06 6.7197744E-05 1.0296080E-03 41 2.9980093E-06 -4.5153118E-05 -1.9110100E-04 42 -1.6787560E-06 2.5300095E-05 1.4784742E-04 43 7.3101408E-07 -1.1049894E-05 -6.5713865E-05 44 -1.8273522E-07 2.7441212E-06 1.6648485E-05 *** Small-Component *** 45 -9.1741548E-09 4.2078272E-09 -1.4108095E-09 46 2.7559402E-08 -1.2873107E-08 4.3133633E-09 47 4.7676912E-08 -1.7451295E-08 5.9040562E-09 48 1.0510234E-07 -4.9095931E-08 1.6450842E-08 49 1.8005765E-07 -6.8730712E-08 2.3210871E-08 50 2.9668464E-07 -1.3624445E-07 4.5680536E-08 51 4.9000170E-07 -1.9135607E-07 6.4562870E-08 52 7.7002219E-07 -3.4776666E-07 1.1667418E-07 53 1.2593485E-06 -5.0073903E-07 1.6883153E-07 54 1.9915187E-06 -8.8636540E-07 2.9754770E-07 55 3.2909154E-06 -1.3291178E-06 4.4788328E-07 56 5.3463022E-06 -2.3489769E-06 7.8898487E-07 57 9.0554833E-06 -3.7081972E-06 1.2490242E-06 58 1.5286967E-05 -6.6428464E-06 2.2324262E-06 59 2.6790747E-05 -1.1100899E-05 3.7378750E-06 60 4.7221206E-05 -2.0343829E-05 6.8402183E-06 61 8.5834732E-05 -3.5902690E-05 1.2086948E-05 62 1.5738576E-04 -6.7430378E-05 2.2682789E-05 63 2.9476059E-04 -1.2422129E-04 4.1822482E-05 64 5.5454999E-04 -2.3721524E-04 7.9844414E-05 65 1.0501796E-03 -4.4611681E-04 1.5028164E-04 66 1.9685281E-03 -8.4644453E-04 2.8526805E-04 67 3.6211912E-03 -1.5616968E-03 5.2711458E-04 68 6.3913483E-03 -2.8092827E-03 9.5021059E-04 69 1.0521319E-02 -4.7235846E-03 1.6039870E-03 70 1.5234188E-02 -7.1016954E-03 2.4244007E-03 71 1.8152263E-02 -8.8213822E-03 3.0351956E-03 72 1.5828261E-02 -7.9676789E-03 2.7587969E-03 73 8.1905394E-03 -2.2138187E-03 6.0676958E-04 74 2.0020797E-03 5.1473611E-03 -2.3146493E-03 75 1.6944881E-04 8.5607839E-03 -3.8543398E-03 76 -7.5267429E-06 6.2879432E-03 -3.3381897E-03 77 -1.2395773E-05 1.9901254E-03 -3.7277402E-04 78 -9.9044813E-06 2.3922409E-04 2.3698423E-03 79 -6.0147365E-06 1.1350329E-05 2.9086904E-03 80 -4.2456232E-06 2.6145824E-06 1.7268784E-03 81 -2.3943627E-06 -5.3725121E-07 4.7459268E-04 82 -1.9386223E-06 4.8992343E-07 6.0808114E-05 83 -7.7744097E-07 -1.7573486E-07 5.6171329E-06 84 -1.1181845E-06 1.9385871E-07 1.5692119E-06 85 5.7308800E-08 -5.8685236E-08 -2.2690800E-07 86 -8.9830745E-07 9.1851749E-08 5.9071410E-08 87 3.9484403E-07 -3.7809130E-08 -1.1673494E-08 88 -5.1830897E-07 4.1243349E-08 -3.4833029E-08 2P+ 3P+ 4P+ -7.8009432E+01 -1.1832870E+01 -1.2857502E+00 ------------ ------------ ------------ *** Large-Component *** 1 1.3031132E-08 -5.5014557E-09 1.8551482E-09 2 -1.7026693E-08 7.1145646E-09 -2.4268470E-09 3 4.3119718E-08 -1.8019486E-08 6.1468976E-09 4 -1.7659900E-08 6.9422796E-09 -2.5343643E-09 5 8.5417129E-08 -3.5236235E-08 1.2199664E-08 6 4.5507417E-08 -2.1067199E-08 6.4105387E-09 7 2.2857775E-07 -9.4011202E-08 3.2677811E-08 8 3.4961406E-07 -1.5354083E-07 4.9595234E-08 9 8.8756355E-07 -3.6815006E-07 1.2683937E-07 10 1.8090300E-06 -7.8324768E-07 2.5722105E-07 11 4.1662070E-06 -1.7442699E-06 5.9508166E-07 12 9.2816658E-06 -3.9882926E-06 1.3218672E-06 13 2.1457957E-05 -9.0446649E-06 3.0646803E-06 14 4.9680308E-05 -2.1258739E-05 7.0855288E-06 15 1.1685821E-04 -4.9488961E-05 1.6700354E-05 16 2.7606911E-04 -1.1796013E-04 3.9450397E-05 17 6.5605602E-04 -2.7902095E-04 9.3961255E-05 18 1.5563346E-03 -6.6620775E-04 2.2331499E-04 19 3.6698125E-03 -1.5712136E-03 5.2887200E-04 20 8.5157151E-03 -3.6755986E-03 1.2349231E-03 21 1.9255985E-02 -8.3752427E-03 2.8238025E-03 22 4.1746372E-02 -1.8471808E-02 6.2329331E-03 23 8.4488256E-02 -3.8250424E-02 1.2972034E-02 24 1.5263101E-01 -7.1432142E-02 2.4318464E-02 25 2.3422559E-01 -1.1407604E-01 3.9159838E-02 26 2.8074410E-01 -1.4250560E-01 4.9226893E-02 27 2.2569293E-01 -9.1003524E-02 2.9613349E-02 28 1.0435185E-01 7.6725418E-02 -3.7643727E-02 29 2.3858915E-02 2.7955303E-01 -1.2181771E-01 30 2.7425582E-03 3.8673601E-01 -1.8675024E-01 31 5.4057910E-04 2.8403958E-01 -1.5328904E-01 32 3.1263892E-05 1.0091025E-01 3.9754520E-02 33 2.4190288E-05 1.6221730E-02 2.6748613E-01 34 -2.8244980E-05 1.2860834E-03 3.8483016E-01 35 1.4266066E-05 3.9339784E-04 3.0909335E-01 36 -1.2307580E-05 -1.4668323E-04 1.3552137E-01 37 8.9912114E-06 9.0835969E-05 3.0955336E-02 38 -6.4434359E-06 -9.5361344E-05 5.1261509E-03 39 4.6833095E-06 5.5824543E-05 1.3119239E-03 40 -3.1471710E-06 -4.2492558E-05 1.9462745E-04 41 1.9782711E-06 2.6260497E-05 2.7210398E-05 42 -1.0704526E-06 -1.4350370E-05 -6.8471448E-06 43 4.4052722E-07 5.9376102E-06 2.8671796E-06 44 -1.0099085E-07 -1.3661655E-06 -6.5489167E-07 *** Small-Component *** 45 3.8998805E-08 -1.6194319E-08 5.5612691E-09 46 -2.6223301E-08 9.7589291E-09 -3.7859974E-09 47 9.3004818E-08 -3.6310562E-08 1.3357714E-08 48 2.5627439E-08 -1.6441279E-08 3.4158808E-09 49 1.8808276E-07 -7.0979371E-08 2.7114374E-08 50 2.4150929E-07 -1.1524318E-07 3.3824933E-08 51 5.5852574E-07 -2.1864455E-07 8.0196546E-08 52 9.8674668E-07 -4.4350132E-07 1.3933128E-07 53 1.9539269E-06 -7.9403733E-07 2.7937394E-07 54 3.6695003E-06 -1.6027597E-06 5.2010560E-07 55 7.0695175E-06 -2.9342288E-06 1.0084245E-06 56 1.3429435E-05 -5.7813375E-06 1.9073594E-06 57 2.5699899E-05 -1.0784497E-05 3.6624256E-06 58 4.8894385E-05 -2.0902745E-05 6.9545189E-06 59 9.3180369E-05 -3.9340522E-05 1.3281853E-05 60 1.7672824E-04 -7.5365064E-05 2.5184722E-05 61 3.3421626E-04 -1.4177058E-04 4.7736060E-05 62 6.2659131E-04 -2.6761601E-04 8.9662038E-05 63 1.1608897E-03 -4.9583966E-04 1.6685286E-04 64 2.1066200E-03 -9.0725114E-04 3.0470291E-04 65 3.7110154E-03 -1.6105447E-03 5.4284564E-04 66 6.2487053E-03 -2.7592439E-03 9.3075639E-04 67 9.7984793E-03 -4.4276015E-03 1.5011387E-03 68 1.3687775E-02 -6.3950891E-03 2.1766161E-03 69 1.6219456E-02 -7.8875208E-03 2.7070480E-03 70 1.4999042E-02 -7.6040291E-03 2.6263408E-03 71 9.2962465E-03 -3.7472520E-03 1.2197013E-03 72 3.3117489E-03 2.4260892E-03 -1.1902643E-03 73 5.8325722E-04 6.8193984E-03 -2.9709654E-03 74 5.1595160E-05 7.2684396E-03 -3.5090671E-03 75 7.8437759E-06 4.1120839E-03 -2.2188201E-03 76 3.3855277E-07 1.1251749E-03 4.4293202E-04 77 2.1488437E-07 1.3930853E-04 2.2963246E-03 78 -1.9210890E-07 8.5023300E-06 2.5444864E-03 79 7.6513855E-08 2.0056861E-06 1.5740118E-03 80 -5.1084736E-08 -5.7689152E-07 5.3150580E-04 81 2.9201189E-08 2.7549594E-07 9.3500803E-05 82 -1.6455809E-08 -2.2264587E-07 1.1924647E-05 83 9.4238512E-09 1.0057437E-07 2.3504273E-06 84 -5.0434117E-09 -5.9003074E-08 2.6852575E-07 85 2.5461960E-09 2.8134719E-08 2.8924424E-08 86 -1.1234208E-09 -1.1868228E-08 -5.6078518E-09 87 3.8504515E-10 3.7951166E-09 1.8086681E-09 88 -7.5799484E-11 -6.7615413E-10 -3.1823777E-10 3D- 4D- -6.5335444E+00 -2.3263967E-01 ------------ ------------ *** Large-Component *** 1 3.2793088E-08 6.9210371E-09 2 -2.9809647E-08 -6.3777427E-09 3 9.3618532E-08 1.9973489E-08 4 -1.8315608E-09 -1.0108687E-09 5 1.9995952E-07 4.3280354E-08 6 2.0769608E-07 4.1331011E-08 7 6.2647173E-07 1.3607285E-07 8 1.1958984E-06 2.4348806E-07 9 2.8441423E-06 6.1276273E-07 10 6.8025610E-06 1.4038796E-06 11 1.7331398E-05 3.6948519E-06 12 4.7447545E-05 9.8926725E-06 13 1.3415569E-04 2.8401709E-05 14 3.9492574E-04 8.2862520E-05 15 1.1686640E-03 2.4690729E-04 16 3.4498796E-03 7.2728661E-04 17 9.7232782E-03 2.0593089E-03 18 2.5130602E-02 5.3303420E-03 19 5.8428646E-02 1.2485165E-02 20 1.1968242E-01 2.5746217E-02 21 1.9918283E-01 4.2674328E-02 22 2.6165773E-01 5.4298631E-02 23 2.7077726E-01 5.3307229E-02 24 1.9931112E-01 2.3725935E-02 25 9.2755580E-02 -4.7402228E-02 26 2.4947062E-02 -1.3485099E-01 27 3.3330057E-03 -2.0879232E-01 28 4.4471099E-04 -2.5215553E-01 29 -1.1117863E-05 -2.4913827E-01 30 6.5620982E-05 -1.9957996E-01 31 -2.3632045E-05 -1.2217066E-01 32 2.8107614E-05 -4.6877611E-02 33 -1.4829122E-05 -7.7346850E-03 34 8.9120045E-06 -2.8257155E-04 35 -3.9787202E-06 4.6820555E-08 36 1.0298572E-06 -7.6029756E-07 *** Small-Component *** 37 3.4882207E-09 8.9376976E-10 38 1.3714985E-09 -2.8890523E-10 39 7.1071545E-09 2.7367581E-09 40 1.7959215E-08 1.6284769E-09 41 2.8355647E-08 9.3068551E-09 42 8.9850093E-08 1.3957456E-08 43 1.6758566E-07 4.2345765E-08 44 4.6055392E-07 8.6785900E-08 45 1.0104353E-06 2.2672590E-07 46 2.5854351E-06 5.2387065E-07 47 6.1203822E-06 1.3155512E-06 48 1.5252708E-05 3.1700143E-06 49 3.6815275E-05 7.8039897E-06 50 8.9381802E-05 1.8745630E-05 51 2.1159991E-04 4.4712793E-05 52 4.9071958E-04 1.0344498E-04 53 1.0735293E-03 2.2737021E-04 54 2.1378654E-03 4.5345172E-04 55 3.8116110E-03 8.1448082E-04 56 5.9708432E-03 1.2844967E-03 57 7.5878980E-03 1.6258092E-03 58 7.6047055E-03 1.5782508E-03 59 6.0008416E-03 1.1814985E-03 60 3.3667878E-03 4.0087382E-04 61 1.1936915E-03 -6.1061756E-04 62 2.4422539E-04 -1.3239606E-03 63 2.4556800E-05 -1.5623317E-03 64 2.3407864E-06 -1.4379880E-03 65 -1.4772923E-07 -1.0828068E-03 66 1.6658666E-07 -6.6107177E-04 67 -8.4387306E-08 -3.0840242E-04 68 3.9824121E-08 -9.0183366E-05 69 -2.6521902E-08 -1.1339472E-05 70 4.4374551E-09 -3.1425633E-07 71 -2.8382470E-09 -1.1238565E-10 72 -1.8003197E-09 1.7252978E-10 3D+ 4D+ -6.4514296E+00 -2.3055178E-01 ------------ ------------ *** Large-Component *** 1 8.2070241E-09 1.6856155E-09 2 -3.3029737E-09 -5.2775956E-10 3 3.7004743E-08 7.2939443E-09 4 4.3047626E-08 1.0050714E-08 5 1.9940190E-07 3.9761714E-08 6 4.9806426E-07 1.0818826E-07 7 1.5636425E-06 3.2095182E-07 8 4.5165443E-06 9.5895995E-07 9 1.3554104E-05 2.8206060E-06 10 3.9968315E-05 8.4189940E-06 11 1.1798417E-04 2.4685740E-05 12 3.4300367E-04 7.2106811E-05 13 9.8432820E-04 2.0658884E-04 14 2.7581311E-03 5.8057565E-04 15 7.3956135E-03 1.5583393E-03 16 1.8334083E-02 3.8758279E-03 17 4.1394239E-02 8.7874914E-03 18 8.4568973E-02 1.8099182E-02 19 1.4854462E-01 3.1862088E-02 20 2.1328671E-01 4.5047831E-02 21 2.5216441E-01 5.1393660E-02 22 2.3833698E-01 4.4904522E-02 23 1.6269557E-01 1.0791756E-02 24 7.4195139E-02 -5.4200761E-02 25 2.0781726E-02 -1.2801986E-01 26 3.2838226E-03 -1.9080249E-01 27 4.2594909E-04 -2.3029716E-01 28 5.9267668E-05 -2.3405952E-01 29 2.6353730E-05 -1.9940375E-01 30 8.3928888E-06 -1.3818999E-01 31 9.0497033E-06 -6.9150013E-02 32 -7.9249822E-08 -1.9673132E-02 33 1.3927388E-06 -2.1127739E-03 34 -6.5681358E-07 -5.6067448E-05 35 2.8160652E-07 5.2511457E-06 36 -6.7987803E-08 -1.3982518E-06 *** Small-Component *** 37 1.7017248E-08 3.4462098E-09 38 -2.0668511E-09 2.6626305E-11 39 5.5015444E-08 1.0499789E-08 40 6.7049446E-08 1.5864010E-08 41 2.2225225E-07 4.3747431E-08 42 4.7374845E-07 1.0342158E-07 43 1.1852485E-06 2.4255704E-07 44 2.7665784E-06 5.8797719E-07 45 6.6192658E-06 1.3764117E-06 46 1.5512196E-05 3.2675909E-06 47 3.6205967E-05 7.5729477E-06 48 8.2939613E-05 1.7432912E-05 49 1.8698778E-04 3.9236014E-05 50 4.1067159E-04 8.6429130E-05 51 8.6145341E-04 1.8148527E-04 52 1.6680608E-03 3.5257217E-04 53 2.9383908E-03 6.2368881E-04 54 4.6805514E-03 1.0015777E-03 55 6.4061108E-03 1.3739146E-03 56 7.1637216E-03 1.5128823E-03 57 6.5946178E-03 1.3439266E-03 58 4.8527233E-03 9.1422943E-04 59 2.5788233E-03 1.7111823E-04 60 9.1547483E-04 -6.6858808E-04 61 1.9960269E-04 -1.2293536E-03 62 2.4550880E-05 -1.4262808E-03 63 2.4787980E-06 -1.3400602E-03 64 2.6845028E-07 -1.0601651E-03 65 9.2925244E-08 -7.0305635E-04 66 2.3030126E-08 -3.7926473E-04 67 1.9335752E-08 -1.4772938E-04 68 -1.3310348E-10 -3.2715757E-05 69 1.8034937E-09 -2.7349127E-06 70 -6.6216140E-10 -5.6500040E-08 71 2.2104723E-10 4.1209115E-09 72 -4.1583194E-11 -8.5426108E-10 RADIAL MOMENTS Sym Orb S+ 1 3.37535E+03 4.01259E+01 3.80744E-02 1.95446E-03 1.26455E-04 9.88714E-06 2 3.62924E+02 9.08676E+00 1.66685E-01 3.28251E-02 7.37098E-03 1.86859E-03 3 6.34542E+01 3.06212E+00 4.71420E-01 2.54776E-01 1.52830E-01 1.01014E-01 4 8.97805E+00 1.03670E+00 1.28641E+00 1.87375E+00 3.01994E+00 5.35706E+00 5 7.00834E-01 2.98322E-01 4.21087E+00 2.02883E+01 1.10144E+02 6.69498E+02 P- 1 1.17039E+02 9.02410E+00 1.43008E-01 2.51049E-02 5.24183E-03 1.27343E-03 2 2.01379E+01 2.94724E+00 4.70313E-01 2.57778E-01 1.58899E-01 1.09237E-01 3 2.58033E+00 9.15738E-01 1.44212E+00 2.38495E+00 4.43028E+00 9.20863E+00 P+ 1 1.02253E+02 8.65851E+00 1.47235E-01 2.64847E-02 5.65333E-03 1.40228E-03 2 1.77093E+01 2.86260E+00 4.80139E-01 2.68465E-01 1.68780E-01 1.18319E-01 3 2.28692E+00 8.93807E-01 1.47218E+00 2.48596E+00 4.71745E+00 1.00232E+01 D- 1 8.93193E+00 2.63781E+00 4.70505E-01 2.67869E-01 1.80855E-01 1.42457E-01 2 5.46758E-01 5.33570E-01 2.50132E+00 7.70364E+00 2.86350E+01 1.26420E+02 D+ 1 8.75583E+00 2.61539E+00 4.74000E-01 2.71719E-01 1.84665E-01 1.46392E-01 2 5.34717E-01 5.28855E-01 2.52128E+00 7.82380E+00 2.92888E+01 1.30172E+02 ******************************************************************************************* ******************************************************************************************* Zr [Kr]5s(2)4d(2) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 40.0 Atomic Mass = 90.0 Nuclear Radius = 1.053053E-04 Speed of Light = 137.0359955 S+ P- P+ D- D+ Number of Closed Shells 5 3 3 1 1 Open Shells 0 0 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.13333333 0.0 0.0 0.0 2.0 0.0 0.0 0.0 2 0.53333333 0.0 0.0 0.0 1.0 1.0 0.0 0.0 3 0.33333333 0.0 0.0 0.0 0.0 2.0 0.0 0.0 ENERGIES Total Energy = -3.59708320689297E+03 Mass Energy = -3.59700178594078E+03 Kinetic Energy = 7.31529961469366E+03 Potential Energy = -7.31538103564585E+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+ 5S+ -6.6553084E+02 -9.4849230E+01 -1.6700149E+01 -2.5127970E+00 -2.1531388E-01 ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 -8.6479439E-07 2.8531110E-07 -1.1886967E-07 4.4986970E-08 -1.2189565E-08 2 4.5849019E-06 -1.5122754E-06 6.3004140E-07 -2.3842030E-07 6.4600665E-08 3 -6.5816276E-07 2.1584555E-07 -8.9856853E-08 3.4281488E-08 -9.3028906E-09 4 9.7223471E-06 -3.2074653E-06 1.3363263E-06 -5.0602838E-07 1.3712693E-07 5 4.0859277E-06 -1.3547176E-06 5.6478986E-07 -2.1262406E-07 5.7554482E-08 6 1.8795997E-05 -6.2067237E-06 2.5862308E-06 -9.7991921E-07 2.6557480E-07 7 1.7692215E-05 -5.8657254E-06 2.4454519E-06 -9.2227126E-07 2.4973054E-07 8 4.0743897E-05 -1.3479511E-05 5.6180750E-06 -2.1296514E-06 5.7722049E-07 9 5.3699019E-05 -1.7835970E-05 7.4377339E-06 -2.8060612E-06 7.5986899E-07 10 1.0007329E-04 -3.3201135E-05 1.3842963E-05 -5.2492750E-06 1.4228518E-06 11 1.5454429E-04 -5.1481772E-05 2.1476692E-05 -8.1033717E-06 2.1943890E-06 12 2.7339389E-04 -9.1035833E-05 3.7975173E-05 -1.4403863E-05 3.9044373E-06 13 4.6003034E-04 -1.5383269E-04 6.4207267E-05 -2.4227998E-05 6.5610016E-06 14 8.2039499E-04 -2.7439322E-04 1.1452948E-04 -4.3446751E-05 1.1777316E-05 15 1.4585578E-03 -4.9007842E-04 2.0468169E-04 -7.7248365E-05 2.0919644E-05 16 2.6681813E-03 -8.9760560E-04 3.7494460E-04 -1.4224065E-04 3.8557892E-05 17 4.9185663E-03 -1.6645627E-03 6.9588006E-04 -2.6271769E-04 7.1150573E-05 18 9.1843576E-03 -3.1215515E-03 1.3057359E-03 -4.9537387E-04 1.3428330E-04 19 1.7183956E-02 -5.9058498E-03 2.4741773E-03 -9.3463236E-04 2.5314599E-04 20 3.2002898E-02 -1.1155285E-02 4.6823847E-03 -1.7771106E-03 4.8175225E-04 21 5.8446156E-02 -2.0954135E-02 8.8297627E-03 -3.3395145E-03 9.0467577E-04 22 1.0241547E-01 -3.8377301E-02 1.6271046E-02 -6.1855095E-03 1.6772026E-03 23 1.6603783E-01 -6.7395160E-02 2.8900341E-02 -1.0963939E-02 2.9714470E-03 24 2.3403714E-01 -1.0838074E-01 4.7374760E-02 -1.8111562E-02 4.9150156E-03 25 2.5738070E-01 -1.4740688E-01 6.6609537E-02 -2.5482543E-02 6.9143628E-03 26 1.8474543E-01 -1.3239003E-01 6.2579835E-02 -2.4346493E-02 6.6247136E-03 27 6.5477260E-02 1.3055714E-02 -8.5749056E-03 3.6906264E-03 -1.0212500E-03 28 7.4089471E-03 3.0607624E-01 -1.9595013E-01 7.9617693E-02 -2.1790728E-02 29 6.2126381E-04 4.8139527E-01 -4.1139760E-01 1.7854534E-01 -4.9355218E-02 30 -1.0224223E-04 2.9095260E-01 -3.0830568E-01 1.3580884E-01 -3.7575290E-02 31 4.1762119E-05 6.3045837E-02 1.6390844E-01 -8.0357908E-02 2.2202670E-02 32 -9.9084330E-05 5.1223552E-03 6.1204389E-01 -4.0583562E-01 1.2077121E-01 33 4.4163866E-05 7.7926648E-04 4.5856693E-01 -5.0233722E-01 1.6026928E-01 34 -3.6365155E-05 -1.7370876E-05 9.4672023E-02 -2.6382450E-02 -2.7872218E-04 35 3.0096351E-05 -8.9149864E-05 9.5027440E-03 5.1402817E-01 -1.9517342E-01 36 -2.0055154E-05 -1.9875974E-05 -1.2366759E-03 5.8101453E-01 -2.9504983E-01 37 1.5546456E-05 -2.1515679E-05 2.1712400E-03 2.1664881E-01 -2.2182901E-01 38 -1.1087863E-05 9.1819547E-06 -1.4107160E-03 2.5574856E-02 1.9588013E-02 39 7.8418269E-06 -7.6559242E-06 1.0588990E-03 -1.1845785E-04 2.9978174E-01 40 -5.2841678E-06 5.1755851E-06 -7.2577288E-04 1.0875730E-03 4.7699082E-01 41 3.2803594E-06 -3.2519146E-06 4.5729482E-04 -6.5754457E-04 3.4714265E-01 42 -1.7525621E-06 1.7406622E-06 -2.4647756E-04 3.7841825E-04 7.9546447E-02 43 7.0554735E-07 -6.9954785E-07 9.9768633E-05 -1.5855088E-04 2.2799305E-03 44 -1.5566907E-07 1.5374035E-07 -2.2082841E-05 3.5874779E-05 4.5873508E-05 *** Small-Component *** 45 -2.3325936E-06 7.6771210E-07 -3.1975165E-07 1.2141326E-07 -3.2918525E-08 46 3.4523479E-06 -1.1335842E-06 4.7199380E-07 -1.8046688E-07 4.8993373E-08 47 8.8009085E-06 -2.9111697E-06 1.2132870E-06 -4.5437108E-07 1.2286874E-07 48 1.4417267E-05 -4.7336927E-06 1.9709680E-06 -7.5361391E-07 2.0459278E-07 49 2.6663750E-05 -8.8185132E-06 3.6752177E-06 -1.3771842E-06 3.7245430E-07 50 4.0579665E-05 -1.3333072E-05 5.5519991E-06 -2.1189181E-06 5.7504880E-07 51 6.5088464E-05 -2.1518473E-05 8.9676341E-06 -3.3647263E-06 9.1020366E-07 52 9.8950096E-05 -3.2534110E-05 1.3548691E-05 -5.1622601E-06 1.4005372E-06 53 1.5224402E-04 -5.0314042E-05 2.0966967E-05 -7.8780598E-06 2.1316953E-06 54 2.3092346E-04 -7.5978554E-05 3.1643819E-05 -1.2040331E-05 3.2657391E-06 55 3.5103040E-04 -1.1599315E-04 4.8336114E-05 -1.8183852E-05 4.9214490E-06 56 5.3134593E-04 -1.7497237E-04 7.2881364E-05 -2.7700555E-05 7.5117531E-06 57 8.0433207E-04 -2.6587161E-04 1.1079825E-04 -4.1724059E-05 1.1294765E-05 58 1.2151253E-03 -4.0071828E-04 1.6694396E-04 -6.3396492E-05 1.7188830E-05 59 1.8339838E-03 -6.0714770E-04 2.5307377E-04 -9.5382489E-05 2.5824298E-05 60 2.7611648E-03 -9.1353196E-04 3.8075726E-04 -1.4449805E-04 3.9173164E-05 61 4.1443971E-03 -1.3785915E-03 5.7500901E-04 -2.1688347E-04 5.8728215E-05 62 6.1844320E-03 -2.0639514E-03 8.6127335E-04 -3.2673700E-04 8.8570984E-05 63 9.1433243E-03 -3.0851579E-03 1.2893533E-03 -4.8673039E-04 1.3181696E-04 64 1.3295554E-02 -4.5491677E-03 1.9048717E-03 -7.2277614E-04 1.9592987E-04 65 1.8796385E-02 -6.6175008E-03 2.7819352E-03 -1.0516095E-03 2.8485849E-04 66 2.5302164E-02 -9.3151594E-03 3.9405126E-03 -1.4975259E-03 4.0603721E-04 67 3.1332074E-02 -1.2505171E-02 5.3511561E-03 -2.0292376E-03 5.4993030E-04 68 3.3579322E-02 -1.5303913E-02 6.6768616E-03 -2.5518297E-03 6.9247262E-04 69 2.7982271E-02 -1.5793645E-02 7.1255839E-03 -2.7252375E-03 7.3942792E-04 70 1.5176363E-02 -1.0748613E-02 5.0772218E-03 -1.9750259E-03 5.3739714E-04 71 4.0566415E-03 7.4073578E-04 -4.8617237E-04 2.1008762E-04 -5.8177501E-05 72 3.4533428E-04 1.4023391E-02 -8.9553099E-03 3.6370903E-03 -9.9537928E-04 73 2.1771583E-05 1.6643821E-02 -1.4195785E-02 6.1593524E-03 -1.7025692E-03 74 -2.7849583E-06 7.5759519E-03 -8.0172608E-03 3.5315901E-03 -9.7711542E-04 75 8.8877311E-07 1.2354826E-03 3.2004188E-03 -1.5679949E-03 4.3317832E-04 76 -1.5138713E-06 7.5496490E-05 9.0055977E-03 -5.9692441E-03 1.7762713E-03 77 5.2527893E-07 8.6363580E-06 5.0785517E-03 -5.5614617E-03 1.7743307E-03 78 -3.2758588E-07 -1.4705432E-07 7.8886555E-04 -2.2013346E-04 -2.1572674E-06 79 2.0593868E-07 -5.5799315E-07 5.9643217E-05 3.2218643E-03 -1.2232705E-03 80 -1.0654937E-07 -9.5015980E-08 -5.8781653E-06 2.7403536E-03 -1.3915318E-03 81 6.3547776E-08 -7.5463346E-08 7.7381964E-06 7.6886071E-04 -7.8721602E-04 82 -3.5439954E-08 2.3814205E-08 -3.7899115E-06 6.8301082E-05 5.2297464E-05 83 1.9764204E-08 -1.4857724E-08 2.1433652E-06 -2.4303234E-07 6.0231574E-04 84 -1.0657815E-08 7.4470025E-09 -1.1077678E-06 1.6476731E-06 7.2111195E-04 85 5.3974576E-09 -3.4481751E-09 5.2676848E-07 -7.5018571E-07 3.9488937E-04 86 -2.4150947E-09 1.3477678E-09 -2.1458251E-07 3.2512162E-07 6.8086285E-05 87 8.4395275E-10 -3.9192494E-10 6.5800546E-08 -1.0263528E-07 1.4684764E-06 88 -1.6941266E-10 6.2559208E-11 -1.1079426E-08 1.7510715E-08 2.2205309E-08 2P- 3P- 4P- -8.6505359E+01 -1.3535677E+01 -1.5477567E+00 ------------ ------------ ------------ *** Large-Component *** 1 -8.0366682E-08 3.4305909E-08 -1.1954720E-08 2 1.0215581E-07 -4.3645244E-08 1.5216375E-08 3 4.1964561E-07 -1.7893651E-07 6.2317132E-08 4 5.0903283E-07 -2.1744726E-07 7.5804451E-08 5 1.2015881E-06 -5.1231063E-07 1.7840967E-07 6 1.5820605E-06 -6.7576955E-07 2.3557129E-07 7 2.8511523E-06 -1.2154665E-06 4.2324684E-07 8 4.0849324E-06 -1.7450338E-06 6.0834674E-07 9 6.6577605E-06 -2.8377156E-06 9.8802390E-07 10 9.9425626E-06 -4.2484913E-06 1.4813018E-06 11 1.5672570E-05 -6.6782134E-06 2.3247612E-06 12 2.3952926E-05 -1.0240200E-05 3.5712707E-06 13 3.7651434E-05 -1.6038076E-05 5.5815700E-06 14 5.8923306E-05 -2.5211160E-05 8.7955981E-06 15 9.4683218E-05 -4.0322123E-05 1.4028657E-05 16 1.5474936E-04 -6.6298460E-05 2.3140921E-05 17 2.6382595E-04 -1.1240624E-04 3.9101208E-05 18 4.6978334E-04 -2.0167042E-04 7.0424482E-05 19 8.9301305E-04 -3.8138875E-04 1.3271468E-04 20 1.8040153E-03 -7.7702370E-04 2.7144728E-04 21 3.8828391E-03 -1.6686642E-03 5.8138518E-04 22 8.6873237E-03 -3.7717189E-03 1.3188241E-03 23 1.9822036E-02 -8.6510726E-03 3.0225434E-03 24 4.4478448E-02 -1.9783216E-02 6.9419450E-03 25 9.4413287E-02 -4.2970849E-02 1.5117119E-02 26 1.7703434E-01 -8.3684125E-02 2.9652239E-02 27 2.7297201E-01 -1.3474910E-01 4.8075613E-02 28 3.0348041E-01 -1.5300772E-01 5.4916200E-02 29 1.9649692E-01 -3.7019161E-02 7.4506041E-03 30 5.9578641E-02 2.0729521E-01 -9.6083611E-02 31 7.1025910E-03 4.1211579E-01 -1.9802733E-01 32 7.5958303E-04 3.6479347E-01 -2.0484851E-01 33 1.1962949E-04 1.3240335E-01 1.9200430E-02 34 -2.5296538E-05 1.8222694E-02 3.1882749E-01 35 5.7030259E-06 6.8370681E-04 4.3526195E-01 36 -1.4450019E-05 6.3680765E-04 2.8802387E-01 37 8.2586060E-06 -3.7601717E-04 8.7090667E-02 38 -6.6622209E-06 2.6849470E-04 1.3086523E-02 39 4.7172863E-06 -2.1118967E-04 1.9279971E-03 40 -3.1950652E-06 1.3974706E-04 6.2138128E-04 41 2.0553384E-06 -9.1055874E-05 -1.1464608E-04 42 -1.1569482E-06 5.1165214E-05 8.5636898E-05 43 5.0304306E-07 -2.2324872E-05 -3.8239391E-05 44 -1.2250125E-07 5.5402760E-06 9.7096083E-06 *** Small-Component *** 45 -1.0372499E-08 4.7318187E-09 -1.7086814E-09 46 3.0644376E-08 -1.4208422E-08 5.1730036E-09 47 5.5149463E-08 -2.1063296E-08 6.8517847E-09 48 1.1833110E-07 -5.4813769E-08 1.9946786E-08 49 2.0700308E-07 -8.1600718E-08 2.7101959E-08 50 3.3514257E-07 -1.5305582E-07 5.5296722E-08 51 5.6126446E-07 -2.2515766E-07 7.5609074E-08 52 8.6997764E-07 -3.9195290E-07 1.4060852E-07 53 1.4368650E-06 -5.8452100E-07 1.9796027E-07 54 2.2467170E-06 -1.0003656E-06 3.5660979E-07 55 3.7373835E-06 -1.5391078E-06 5.2502631E-07 56 6.0150098E-06 -2.6507951E-06 9.3958813E-07 57 1.0228094E-05 -4.2586252E-06 1.4618496E-06 58 1.7134706E-05 -7.4855209E-06 2.6400225E-06 59 3.0079381E-05 -1.2644081E-05 4.3630913E-06 60 5.2696184E-05 -2.2866422E-05 8.0319158E-06 61 9.5794088E-05 -4.0583625E-05 1.4060887E-05 62 1.7482010E-04 -7.5544576E-05 2.6459308E-05 63 3.2708690E-04 -1.3948259E-04 4.8467474E-05 64 6.1296346E-04 -2.6472147E-04 9.2576180E-05 65 1.1583733E-03 -4.9775658E-04 1.7336449E-04 66 2.1620932E-03 -9.3948568E-04 3.2859534E-04 67 3.9612729E-03 -1.7289651E-03 6.0403386E-04 68 6.9448833E-03 -3.0898618E-03 1.0843164E-03 69 1.1320044E-02 -5.1534300E-03 1.8130062E-03 70 1.6122767E-02 -7.6254988E-03 2.7022151E-03 71 1.8758903E-02 -9.2680449E-03 3.3070168E-03 72 1.5665792E-02 -7.9127998E-03 2.8408613E-03 73 7.5776506E-03 -1.4284483E-03 2.8721831E-04 74 1.6837018E-03 6.0474131E-03 -2.8010181E-03 75 1.1859652E-04 8.9994592E-03 -4.3228004E-03 76 -1.1470283E-05 5.9652250E-03 -3.3489488E-03 77 -1.3921119E-05 1.6217621E-03 2.3353840E-04 78 -1.0311821E-05 1.6775703E-04 2.9198402E-03 79 -6.3500771E-06 5.1662439E-06 2.9848061E-03 80 -4.3981706E-06 3.6018081E-06 1.4786645E-03 81 -2.5195292E-06 -1.2564699E-06 3.3459902E-04 82 -2.0127401E-06 9.2584120E-07 3.7492709E-05 83 -8.1702215E-07 -3.9431285E-07 4.0797147E-06 84 -1.1638797E-06 3.1409106E-07 9.0056450E-07 85 5.8369624E-08 -1.1491510E-07 -1.3416998E-07 86 -9.3676837E-07 1.1733823E-07 -5.3301175E-09 87 4.1181853E-07 -4.6371565E-08 1.0503371E-08 88 -5.4081373E-07 4.3694217E-08 -4.3084674E-08 2P+ 3P+ 4P+ -8.3327963E+01 -1.3009548E+01 -1.4779994E+00 ------------ ------------ ------------ *** Large-Component *** 1 1.4742380E-08 -6.2805060E-09 2.1951772E-09 2 -1.9307830E-08 8.1120013E-09 -2.8703871E-09 3 4.8835994E-08 -2.0520484E-08 7.2613997E-09 4 -2.0307339E-08 7.8642442E-09 -2.9920054E-09 5 9.6744938E-08 -3.9947477E-08 1.4361252E-08 6 4.9945430E-08 -2.4108350E-08 7.5571058E-09 7 2.5789030E-07 -1.0603616E-07 3.8285174E-08 8 3.8816247E-07 -1.7438116E-07 5.8220273E-08 9 9.9514043E-07 -4.1376591E-07 1.4800135E-07 10 2.0076781E-06 -8.8467291E-07 3.0058152E-07 11 4.6439498E-06 -1.9549897E-06 6.9199392E-07 12 1.0278557E-05 -4.4823862E-06 1.5379262E-06 13 2.3803973E-05 -1.0111140E-05 3.5528083E-06 14 5.4878112E-05 -2.3792227E-05 8.2123682E-06 15 1.2913162E-04 -5.5187655E-05 1.9306420E-05 16 3.0416633E-04 -1.3155400E-04 4.5575781E-05 17 7.2242923E-04 -3.1034659E-04 1.0832547E-04 18 1.7093553E-03 -7.4038313E-04 2.5713545E-04 19 4.0238413E-03 -1.7414803E-03 6.0756710E-04 20 9.3060803E-03 -4.0654009E-03 1.4154790E-03 21 2.0968176E-02 -9.2295457E-03 3.2259052E-03 22 4.5185756E-02 -2.0262726E-02 7.0882941E-03 23 9.0608709E-02 -4.1598831E-02 1.4631935E-02 24 1.6132906E-01 -7.6672561E-02 2.7078607E-02 25 2.4256978E-01 -1.2011802E-01 4.2810724E-02 26 2.8056176E-01 -1.4393450E-01 5.1553300E-02 27 2.1358922E-01 -7.7748330E-02 2.5165501E-02 28 9.1969886E-02 1.0211477E-01 -5.0268032E-02 29 1.9111360E-02 3.0545107E-01 -1.3972085E-01 30 2.1128308E-03 3.9044795E-01 -2.0344317E-01 31 4.0431691E-04 2.5691814E-01 -1.3764880E-01 32 1.5834968E-05 7.9482414E-02 9.1119346E-02 33 3.8160113E-06 1.0829847E-02 3.1766660E-01 34 -1.9203022E-05 9.5980853E-04 3.9082399E-01 35 5.7662996E-06 2.3222840E-04 2.6724337E-01 36 -6.8803121E-06 -6.0694288E-05 9.9195570E-02 37 4.4418184E-06 3.3991035E-05 1.9377690E-02 38 -3.2976377E-06 -4.4703791E-05 3.6699885E-03 39 2.3903562E-06 2.2843438E-05 7.4042447E-04 40 -1.6000276E-06 -1.8530865E-05 2.0448728E-04 41 1.0082769E-06 1.1308536E-05 -4.7578293E-05 42 -5.4623551E-07 -6.1702185E-06 3.0424170E-05 43 2.2483063E-07 2.5487867E-06 -1.2809418E-05 44 -5.1500823E-08 -5.8652812E-07 2.9741066E-06 *** Small-Component *** 45 4.3238677E-08 -1.8008980E-08 6.4209914E-09 46 -2.9564632E-08 1.0594962E-08 -4.3246857E-09 47 1.0414454E-07 -3.9864236E-08 1.5331536E-08 48 2.5769480E-08 -1.9550080E-08 4.1636860E-09 49 2.1167479E-07 -7.7332905E-08 3.1020892E-08 50 2.6070116E-07 -1.3131642E-07 3.9584251E-08 51 6.2465431E-07 -2.3996319E-07 9.1993584E-08 52 1.0770648E-06 -4.9988637E-07 1.6191613E-07 53 2.1706667E-06 -8.7766989E-07 3.2136615E-07 54 4.0243119E-06 -1.7960580E-06 6.0228682E-07 55 7.8209478E-06 -3.2549097E-06 1.1615740E-06 56 1.4757357E-05 -6.4566657E-06 2.2041003E-06 57 2.8359275E-05 -1.1980094E-05 4.2200823E-06 58 5.3758130E-05 -2.3293790E-05 8.0245752E-06 59 1.0263268E-04 -4.3709507E-05 1.5298986E-05 60 1.9421503E-04 -8.3836602E-05 2.9018783E-05 61 3.6739286E-04 -1.5737880E-04 5.4925725E-05 62 6.8735832E-04 -2.9702283E-04 1.0310104E-04 63 1.2719341E-03 -5.4907524E-04 1.9150234E-04 64 2.3011339E-03 -1.0029117E-03 3.4904769E-04 65 4.0402216E-03 -1.7742562E-03 6.1992975E-04 66 6.7632833E-03 -3.0263268E-03 1.0583037E-03 67 1.0508933E-02 -4.8149988E-03 1.6931191E-03 68 1.4469215E-02 -6.8643500E-03 2.4236494E-03 69 1.6799662E-02 -8.3058517E-03 2.9595860E-03 70 1.4991853E-02 -7.6814027E-03 2.7508698E-03 71 8.7990187E-03 -3.2030211E-03 1.0373005E-03 72 2.9191650E-03 3.2301846E-03 -1.5898903E-03 73 4.6725385E-04 7.4514573E-03 -3.4076544E-03 74 3.9743817E-05 7.3385168E-03 -3.8228225E-03 75 5.8695846E-06 3.7195806E-03 -1.9925544E-03 76 1.6685886E-07 8.8627784E-04 1.0154796E-03 77 3.9558604E-08 9.3006012E-05 2.7271478E-03 78 -1.3206114E-07 6.3459672E-06 2.5841401E-03 79 3.3046956E-08 1.1837589E-06 1.3609048E-03 80 -2.9676625E-08 -2.3879208E-07 3.8904064E-04 81 1.5374514E-08 1.0317184E-07 5.8530245E-05 82 -9.0788445E-09 -1.0435330E-07 8.5375283E-06 83 5.2739182E-09 4.1175234E-08 1.3263643E-06 84 -2.8784193E-09 -2.5741473E-08 2.8224730E-07 85 1.4938795E-09 1.2130807E-08 -5.0613452E-08 86 -6.8072271E-10 -5.1161380E-09 2.4924318E-08 87 2.4299127E-10 1.6356419E-09 -8.0838366E-09 88 -5.0460450E-11 -2.9165203E-10 1.4466543E-09 3D- 4D- -7.4546815E+00 -2.9314495E-01 ------------ ------------ *** Large-Component *** 1 3.8170448E-08 9.1300792E-09 2 -3.4632624E-08 -8.3980456E-09 3 1.0878773E-07 2.6304909E-08 4 -1.6898917E-09 -1.2275213E-09 5 2.3183598E-07 5.6873225E-08 6 2.4341641E-07 5.4925736E-08 7 7.2575249E-07 1.7866602E-07 8 1.3972065E-06 3.2247625E-07 9 3.2967834E-06 8.0501367E-07 10 7.9268405E-06 1.8542382E-06 11 2.0089691E-05 4.8542072E-06 12 5.5095874E-05 1.3020241E-05 13 1.5519793E-04 3.7242824E-05 14 4.5656232E-04 1.0859086E-04 15 1.3467862E-03 3.2259845E-04 16 3.9614093E-03 9.4701444E-04 17 1.1072794E-02 2.6601075E-03 18 2.8329281E-02 6.8190909E-03 19 6.5173057E-02 1.5820610E-02 20 1.3100818E-01 3.2014481E-02 21 2.1176255E-01 5.1361592E-02 22 2.7037051E-01 6.3226413E-02 23 2.6740046E-01 5.8124510E-02 24 1.8091019E-01 1.3066610E-02 25 7.4620359E-02 -7.8453846E-02 26 1.6921771E-02 -1.7668290E-01 27 1.9473421E-03 -2.4622126E-01 28 2.9960283E-04 -2.6563672E-01 29 3.5435752E-05 -2.2941043E-01 30 5.8959862E-05 -1.5641526E-01 31 4.5197378E-07 -7.6323015E-02 32 1.6027823E-05 -2.0441913E-02 33 -6.9478993E-06 -1.8866123E-03 34 4.2084849E-06 -2.4830327E-05 35 -1.8782173E-06 -4.9022267E-07 36 4.8572306E-07 1.5965167E-07 *** Small-Component *** 37 4.0258656E-09 1.1702416E-09 38 2.0130199E-09 -2.7964440E-10 39 7.5324810E-09 3.4293375E-09 40 2.2660590E-08 2.5747915E-09 41 3.0955586E-08 1.1776241E-08 42 1.0895871E-07 1.9474308E-08 43 1.9104055E-07 5.4875987E-08 44 5.4560427E-07 1.1679797E-07 45 1.1681952E-06 2.9715637E-07 46 3.0258035E-06 6.9509789E-07 47 7.0945486E-06 1.7284194E-06 48 1.7730475E-05 4.1767770E-06 49 4.2596808E-05 1.0235109E-05 50 1.0335585E-04 2.4571712E-05 51 2.4386743E-04 5.8423976E-05 52 5.6353351E-04 1.3471018E-04 53 1.2226340E-03 2.9373138E-04 54 2.4101309E-03 5.8013599E-04 55 4.2517012E-03 1.0321031E-03 56 6.5360063E-03 1.5972738E-03 57 8.0672047E-03 1.9568279E-03 58 7.8579216E-03 1.8377685E-03 59 5.9258712E-03 1.2882858E-03 60 3.0556761E-03 2.2076246E-04 61 9.5999217E-04 -1.0105976E-03 62 1.6539744E-04 -1.7346629E-03 63 1.4175849E-05 -1.8423996E-03 64 1.5077641E-06 -1.5148658E-03 65 5.1882239E-08 -9.9706273E-04 66 1.4310770E-07 -5.1809342E-04 67 -2.4262395E-08 -1.9266399E-04 68 1.6185317E-08 -3.9323822E-05 69 -1.5094937E-08 -2.7648545E-06 70 -9.7233903E-10 -2.6129867E-08 71 -1.0336755E-09 -5.8700699E-10 72 -2.2216840E-09 8.1856268E-10 3D+ 4D+ -7.3594782E+00 -2.8939872E-01 ------------ ------------ *** Large-Component *** 1 9.6420795E-09 2.2894807E-09 2 -3.9272762E-09 -9.3363619E-10 3 4.3381052E-08 1.0303590E-08 4 5.0026234E-08 1.1870223E-08 5 2.3271155E-07 5.5273238E-08 6 5.7919734E-07 1.3750360E-07 7 1.8184233E-06 4.3188527E-07 8 5.2427088E-06 1.2450050E-06 9 1.5718993E-05 3.7339379E-06 10 4.6275251E-05 1.0993850E-05 11 1.3639378E-04 3.2418197E-05 12 3.9578103E-04 9.4122606E-05 13 1.1335619E-03 2.6986512E-04 14 3.1652121E-03 7.5470553E-04 15 8.4310587E-03 2.0148810E-03 16 2.0706313E-02 4.9630550E-03 17 4.6326931E-02 1.1166120E-02 18 9.3371840E-02 2.2692639E-02 19 1.6013755E-01 3.8958760E-02 20 2.2389315E-01 5.3373531E-02 21 2.5731388E-01 5.9010736E-02 22 2.3064693E-01 4.6421002E-02 23 1.4438465E-01 -3.1622297E-03 24 5.8560554E-02 -8.4564937E-02 25 1.3903300E-02 -1.6656802E-01 26 1.9564018E-03 -2.2545916E-01 27 2.6144715E-04 -2.4557657E-01 28 9.4990164E-05 -2.2115061E-01 29 2.3702336E-05 -1.6387109E-01 30 3.3630369E-05 -9.4560117E-02 31 -7.6322362E-07 -3.5970069E-02 32 7.8696040E-06 -6.6924997E-03 33 -4.0076123E-06 -3.6020502E-04 34 2.2888652E-06 -7.0170195E-06 35 -9.8162579E-07 1.5258383E-06 36 2.3871260E-07 -3.1606590E-07 *** Small-Component *** 37 1.9766200E-08 4.6926280E-09 38 -2.4408822E-09 -5.8133726E-10 39 6.3934062E-08 1.5181318E-08 40 7.7630259E-08 1.8420758E-08 41 2.5803220E-07 6.1267427E-08 42 5.4898075E-07 1.3031014E-07 43 1.3743521E-06 3.2631905E-07 44 3.2045132E-06 7.6082358E-07 45 7.6644088E-06 1.8201367E-06 46 1.7939894E-05 4.2610722E-06 47 4.1823385E-05 9.9381374E-06 48 9.5653479E-05 2.2742545E-05 49 2.1527194E-04 5.1237592E-05 50 4.7120669E-04 1.1232924E-04 51 9.8198068E-04 2.3462952E-04 52 1.8838110E-03 4.5144411E-04 53 3.2885577E-03 7.9249849E-04 54 5.1679309E-03 1.2557914E-03 55 6.9062418E-03 1.6799462E-03 56 7.5200738E-03 1.7924958E-03 57 6.7294424E-03 1.5431300E-03 58 4.6962918E-03 9.4514788E-04 59 2.2886460E-03 -4.9987124E-05 60 7.2258216E-04 -1.0431632E-03 61 1.3353973E-04 -1.5995342E-03 62 1.4627117E-05 -1.6853527E-03 63 1.5212107E-06 -1.4289732E-03 64 4.3045290E-07 -1.0016969E-03 65 8.3431058E-08 -5.7777662E-04 66 9.2398343E-08 -2.5952232E-04 67 -1.7000890E-09 -7.6845152E-05 68 1.3133920E-08 -1.1129440E-05 69 -5.2174663E-09 -4.6626013E-07 70 2.3229185E-09 -7.0790730E-09 71 -7.7714143E-10 1.2005812E-09 72 1.4753563E-10 -1.9395419E-10 RADIAL MOMENTS Sym Orb S+ 1 3.57700E+03 4.12599E+01 3.70539E-02 1.85165E-03 1.16643E-04 8.87990E-06 2 3.87253E+02 9.36829E+00 1.61904E-01 3.09717E-02 6.75492E-03 1.66286E-03 3 6.87000E+01 3.17713E+00 4.55262E-01 2.37517E-01 1.37429E-01 8.75370E-02 4 1.02322E+01 1.09841E+00 1.21958E+00 1.68316E+00 2.56700E+00 4.30339E+00 5 8.09729E-01 3.16823E-01 3.97907E+00 1.81511E+01 9.34774E+01 5.40039E+02 P- 1 1.24838E+02 9.30659E+00 1.38733E-01 2.36272E-02 4.78546E-03 1.12749E-03 2 2.18354E+01 3.06411E+00 4.52834E-01 2.38825E-01 1.41493E-01 9.33722E-02 3 2.97202E+00 9.78192E-01 1.35551E+00 2.10513E+00 3.66574E+00 7.13086E+00 P+ 1 1.08234E+02 8.90911E+00 1.43059E-01 2.49973E-02 5.18189E-03 1.24790E-03 2 1.90647E+01 2.97179E+00 4.62703E-01 2.49149E-01 1.50664E-01 1.01461E-01 3 2.61571E+00 9.53749E-01 1.38474E+00 2.19737E+00 3.91161E+00 7.78369E+00 D- 1 9.71361E+00 2.75486E+00 4.49097E-01 2.43277E-01 1.55810E-01 1.16100E-01 2 7.19005E-01 6.12355E-01 2.17513E+00 5.78131E+00 1.84433E+01 6.97588E+01 D+ 1 9.51316E+00 2.73046E+00 4.52544E-01 2.46878E-01 1.59182E-01 1.19387E-01 2 7.01773E-01 6.06377E-01 2.19497E+00 5.88678E+00 1.89474E+01 7.22906E+01 ******************************************************************************************* ******************************************************************************************* Nb [Kr]5s(1)4d(4) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 41.0 Atomic Mass = 93.0 Nuclear Radius = 1.063098E-04 Speed of Light = 137.0359955 S+ P- P+ D- D+ Number of Closed Shells 4 3 3 1 1 Open Shells 1 0 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.00476190 1.0 0.0 0.0 4.0 0.0 0.0 0.0 2 0.11428571 1.0 0.0 0.0 3.0 1.0 0.0 0.0 3 0.42857143 1.0 0.0 0.0 2.0 2.0 0.0 0.0 4 0.38095238 1.0 0.0 0.0 1.0 3.0 0.0 0.0 5 0.07142857 1.0 0.0 0.0 0.0 4.0 0.0 0.0 ENERGIES Total Energy = -3.81814845751247E+03 Mass Energy = -3.81805463589740E+03 Kinetic Energy = 7.77135879432060E+03 Potential Energy = -7.77145261593567E+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+ 5S+ -7.0192407E+02 -1.0087575E+02 -1.8006069E+01 -2.6734905E+00 -2.0553570E-01 ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 -9.6839310E-07 3.2080334E-07 -1.3459033E-07 5.1747309E-08 1.2867367E-08 2 4.9498453E-06 -1.6393440E-06 6.8777040E-07 -2.6441483E-07 -6.5747504E-08 3 -5.7660375E-07 1.8964829E-07 -7.9129634E-08 3.0723332E-08 7.6609131E-09 4 1.0481132E-05 -3.4721518E-06 1.4563369E-06 -5.6025300E-07 -1.3933390E-07 5 4.7123007E-06 -1.5682484E-06 6.5980638E-07 -2.5247464E-07 -6.2693561E-08 6 2.0401964E-05 -6.7655514E-06 2.8373874E-06 -1.0921641E-06 -2.7166203E-07 7 1.9627155E-05 -6.5333913E-06 2.7470011E-06 -1.0527328E-06 -2.6152385E-07 8 4.4392690E-05 -1.4750261E-05 6.1866453E-06 -2.3823769E-06 -5.9265338E-07 9 5.8895563E-05 -1.9643024E-05 8.2601580E-06 -3.1665668E-06 -7.8671933E-07 10 1.0896258E-04 -3.6311513E-05 1.5234220E-05 -5.8683848E-06 -1.4599715E-06 11 1.6836056E-04 -5.6324829E-05 2.3694972E-05 -9.0843955E-06 -2.2570161E-06 12 2.9663842E-04 -9.9233743E-05 4.1651132E-05 -1.6048493E-05 -3.9928666E-06 13 4.9829008E-04 -1.6737526E-04 7.0450777E-05 -2.7012218E-05 -6.7112450E-06 14 8.8591146E-04 -2.9774886E-04 1.2504928E-04 -4.8189820E-05 -1.1989963E-05 15 1.5713373E-03 -5.3049133E-04 2.2343871E-04 -8.5685739E-05 -2.1289503E-05 16 2.8667422E-03 -9.6940536E-04 4.0748505E-04 -1.5704100E-04 -3.9072787E-05 17 5.2715797E-03 -1.7932848E-03 7.5604747E-04 -2.9002999E-04 -7.2065844E-05 18 9.8172435E-03 -3.3557627E-03 1.4127723E-03 -5.4451604E-04 -1.3547735E-04 19 1.8315935E-02 -6.3327266E-03 2.6756049E-03 -1.0270137E-03 -2.5521866E-04 20 3.3990870E-02 -1.1931107E-02 5.0418503E-03 -1.9441363E-03 -4.8372596E-04 21 6.1787357E-02 -2.2331892E-02 9.4930165E-03 -3.6484697E-03 -9.0685216E-04 22 1.0752199E-01 -4.0714839E-02 1.7389537E-02 -6.7174713E-03 -1.6718016E-03 23 1.7244267E-01 -7.0981143E-02 3.0737495E-02 -1.1852313E-02 -2.9473527E-03 24 2.3871805E-01 -1.1277856E-01 4.9740569E-02 -1.9331884E-02 -4.8155942E-03 25 2.5466610E-01 -1.4957668E-01 6.8463337E-02 -2.6637606E-02 -6.6317220E-03 26 1.7379381E-01 -1.2536127E-01 5.9790197E-02 -2.3675794E-02 -5.9166209E-03 27 5.6681850E-02 3.6455550E-02 -2.1191079E-02 8.8453121E-03 2.2343987E-03 28 5.6565660E-03 3.3606246E-01 -2.2336036E-01 9.2932176E-02 2.3355401E-02 29 5.1207559E-04 4.7787960E-01 -4.2426871E-01 1.8861600E-01 4.7913667E-02 30 -9.9738164E-05 2.6257011E-01 -2.7682701E-01 1.2413065E-01 3.1498165E-02 31 2.2231927E-05 5.0686564E-02 2.2826419E-01 -1.1536795E-01 -2.9400925E-02 32 -7.9669330E-05 3.8623351E-03 6.4027255E-01 -4.6472915E-01 -1.2862543E-01 33 3.3514972E-05 6.2543195E-04 4.0723167E-01 -4.8220304E-01 -1.4121065E-01 34 -2.6137449E-05 -9.7874160E-05 6.9189784E-02 8.4742725E-02 3.7092196E-02 35 2.2581950E-05 -4.9521891E-05 7.0464159E-03 5.6867857E-01 2.0386117E-01 36 -1.4639659E-05 -4.6128144E-05 -8.5455154E-04 5.2399795E-01 2.4721890E-01 37 1.1409576E-05 3.9809067E-06 1.6823703E-03 1.7123565E-01 1.6692986E-01 38 -8.1205324E-06 -8.6444849E-06 -1.0480559E-03 2.0664270E-02 -2.0194211E-03 39 5.7365137E-06 5.3403115E-06 7.8491884E-04 -1.3686047E-04 -2.5052394E-01 40 -3.8715835E-06 -3.4631669E-06 -5.3848120E-04 1.7205737E-03 -4.5981454E-01 41 2.3949953E-06 2.3482267E-06 3.3245186E-04 -5.9176966E-04 -3.7470555E-01 42 -1.2822890E-06 -1.1595501E-06 -1.8163871E-04 5.3467586E-04 -9.9290324E-02 43 5.1529725E-07 4.8377012E-07 7.3101198E-05 -1.9412262E-04 -3.6595241E-03 44 -1.1354793E-07 -1.0777479E-07 -1.6196875E-05 4.4269175E-05 -7.2966905E-05 *** Small-Component *** 45 -2.4071888E-06 7.9558692E-07 -3.3316512E-07 1.2852376E-07 3.1988646E-08 46 3.2452985E-06 -1.0699817E-06 4.4628946E-07 -1.7354745E-07 -4.3291702E-08 47 9.7869168E-06 -3.2486508E-06 1.3693095E-06 -5.2139184E-07 -1.2929125E-07 48 1.5109041E-05 -4.9831058E-06 2.0797013E-06 -8.0774625E-07 -2.0142559E-07 49 2.8924830E-05 -9.6008622E-06 4.0461315E-06 -1.5411679E-06 -3.8220537E-07 50 4.3405324E-05 -1.4325354E-05 5.9847598E-06 -2.3197803E-06 -5.7815236E-07 51 7.0142186E-05 -2.3274984E-05 9.8032936E-06 -3.7384364E-06 -9.2743175E-07 52 1.0623335E-04 -3.5083092E-05 1.4669031E-05 -5.6766433E-06 -1.4141257E-06 53 1.6367380E-04 -5.4295727E-05 2.2854534E-05 -8.7269823E-06 -2.1658068E-06 54 2.4791341E-04 -8.1924781E-05 3.4278209E-05 -1.3247622E-05 -3.2989352E-06 55 3.7681202E-04 -1.2499232E-04 5.2584844E-05 -2.0102681E-05 -4.9905945E-06 56 5.6986088E-04 -1.8846999E-04 7.8904998E-05 -3.0462659E-05 -7.5835849E-06 57 8.6216987E-04 -2.8611378E-04 1.2032513E-04 -4.6043387E-05 -1.1433610E-05 58 1.3014044E-03 -4.3104306E-04 1.8056762E-04 -6.9653632E-05 -1.7335948E-05 59 1.9627314E-03 -6.5242262E-04 2.7434459E-04 -1.0506526E-04 -2.6095907E-05 60 2.9520911E-03 -9.8108515E-04 4.1130553E-04 -1.5856384E-04 -3.9457438E-05 61 4.4262612E-03 -1.4787950E-03 6.2210169E-04 -2.3842120E-04 -5.9229939E-05 62 6.5955457E-03 -2.2119451E-03 9.2872126E-04 -3.5792086E-04 -8.9055258E-05 63 9.7330621E-03 -3.3010160E-03 1.3912902E-03 -5.3366320E-04 -1.3260034E-04 64 1.4114198E-02 -4.8588662E-03 2.0478704E-03 -7.8943275E-04 -1.9641746E-04 65 1.9872132E-02 -7.0469986E-03 2.9883031E-03 -1.1478687E-03 -2.8528372E-04 66 2.6576109E-02 -9.8790019E-03 4.2092485E-03 -1.6254411E-03 -4.0451329E-04 67 3.2564787E-02 -1.3169897E-02 5.6905626E-03 -2.1933132E-03 -5.4538071E-04 68 3.4282243E-02 -1.5927898E-02 7.0109024E-03 -2.7239452E-03 -6.7850945E-04 69 2.7714500E-02 -1.6032611E-02 7.3266286E-03 -2.8497971E-03 -7.0945683E-04 70 1.4290894E-02 -1.0187722E-02 4.8562159E-03 -1.9227537E-03 -4.8049059E-04 71 3.5152154E-03 2.1632563E-03 -1.2501852E-03 5.2182879E-04 1.3183658E-04 72 2.6377514E-04 1.5403194E-02 -1.0211336E-02 4.2466497E-03 1.0671823E-03 73 1.7977714E-05 1.6525907E-02 -1.4642107E-02 6.5077319E-03 1.6530889E-03 74 -2.7249844E-06 6.8379397E-03 -7.2003598E-03 3.2288252E-03 8.1932267E-04 75 5.0783164E-07 9.9347734E-04 4.4587411E-03 -2.2521100E-03 -5.7387322E-04 76 -1.2287491E-06 5.6880693E-05 9.4215572E-03 -6.8357386E-03 -1.8918607E-03 77 4.0853956E-07 6.9631100E-06 4.5102453E-03 -5.3388039E-03 -1.5634201E-03 78 -2.4342272E-07 -8.4104961E-07 5.7653427E-04 7.0556526E-04 3.0882208E-04 79 1.5977920E-07 -2.9293734E-07 4.4237801E-05 3.5644648E-03 1.2777407E-03 80 -8.1809854E-08 -2.3082232E-07 -4.0717293E-06 2.4714611E-03 1.1659572E-03 81 4.9512798E-08 2.3616597E-08 6.0000680E-06 6.0769034E-04 5.9239103E-04 82 -2.8025441E-08 -2.9872823E-08 -2.8191555E-06 5.5191403E-05 -5.3855493E-06 83 1.5918268E-08 1.5478536E-08 1.5912295E-06 -2.8231035E-07 -5.0334819E-04 84 -8.7959950E-09 -8.4393088E-09 -8.2351925E-07 2.6061856E-06 -6.9514414E-04 85 4.5691887E-09 4.6915960E-09 3.8408071E-07 -6.7632519E-07 -4.2624344E-04 86 -2.1146682E-09 -2.1119592E-09 -1.5871866E-07 4.5939714E-07 -8.4985562E-05 87 7.6679173E-10 7.9224541E-10 4.8464740E-08 -1.2577299E-07 -2.3570613E-06 88 -1.6006124E-10 -1.7024228E-10 -8.1857454E-09 2.1635349E-08 -3.5316573E-08 2P- 3P- 4P- -9.2241105E+01 -1.4698963E+01 -1.6549435E+00 ------------ ------------ ------------ *** Large-Component *** 1 -8.4174122E-08 3.6267214E-08 -1.2904704E-08 2 9.1011058E-08 -3.9242183E-08 1.3979027E-08 3 4.8593753E-07 -2.0922826E-07 7.4367344E-08 4 5.3872165E-07 -2.3222467E-07 8.2691716E-08 5 1.3580423E-06 -5.8469235E-07 2.0779823E-07 6 1.7318617E-06 -7.4649295E-07 2.6578353E-07 7 3.1893472E-06 -1.3730392E-06 4.8790541E-07 8 4.5117232E-06 -1.9448297E-06 6.9249571E-07 9 7.4105613E-06 -3.1899663E-06 1.1333077E-06 10 1.1007391E-05 -4.7457205E-06 1.6902029E-06 11 1.7399112E-05 -7.4885725E-06 2.6596221E-06 12 2.6525156E-05 -1.1439984E-05 4.0760415E-06 13 4.1734455E-05 -1.7959917E-05 6.3756226E-06 14 6.5222763E-05 -2.8147183E-05 1.0034830E-05 15 1.0483958E-04 -4.5118238E-05 1.6007562E-05 16 1.7116996E-04 -7.3950677E-05 2.6384199E-05 17 2.9181332E-04 -1.2567790E-04 4.4571635E-05 18 5.1895586E-04 -2.2464394E-04 8.0201205E-05 19 9.8578372E-04 -4.2564330E-04 1.5100749E-04 20 1.9871914E-03 -8.6338382E-04 3.0833670E-04 21 4.2683661E-03 -1.8546844E-03 6.5904888E-04 22 9.5156388E-03 -4.1709062E-03 1.4905681E-03 23 2.1621685E-02 -9.5465083E-03 3.4036142E-03 24 4.8198412E-02 -2.1680363E-02 7.7758146E-03 25 1.0126082E-01 -4.6711147E-02 1.6781242E-02 26 1.8675908E-01 -8.9483427E-02 3.2426906E-02 27 2.8095941E-01 -1.4089781E-01 5.1379605E-02 28 2.9881011E-01 -1.5016615E-01 5.4973871E-02 29 1.8091356E-01 -1.5302031E-02 -2.0996101E-03 30 5.0067163E-02 2.3794846E-01 -1.1239444E-01 31 5.3685160E-03 4.2808565E-01 -2.1661892E-01 32 6.1881734E-04 3.4046218E-01 -1.9507401E-01 33 5.9649271E-05 1.0561544E-01 7.4894161E-02 34 -2.2595908E-05 1.2809685E-02 3.6321384E-01 35 -5.1158782E-06 1.8130855E-04 4.2045959E-01 36 -1.0185798E-05 8.1950135E-04 2.4769755E-01 37 2.8792836E-06 -4.7226546E-04 6.9960445E-02 38 -3.9699652E-06 3.8255778E-04 9.6429362E-03 39 2.3524640E-06 -2.7363089E-04 1.7231882E-03 40 -1.7130607E-06 1.8843892E-04 2.4159008E-04 41 1.0907355E-06 -1.2128346E-04 4.2218006E-05 42 -6.1496521E-07 6.8206827E-05 -1.1080544E-05 43 2.6745780E-07 -2.9745771E-05 4.7230337E-06 44 -6.5133601E-08 7.3725443E-06 -1.1418417E-06 *** Small-Component *** 45 -1.1690001E-08 5.2475402E-09 -1.9855850E-09 46 3.2898184E-08 -1.4955598E-08 5.7608492E-09 47 6.3533744E-08 -2.5658698E-08 8.1617411E-09 48 1.3230635E-07 -5.9988539E-08 2.3019807E-08 49 2.3647076E-07 -9.7210227E-08 3.1943665E-08 50 3.7811992E-07 -1.6985821E-07 6.4320982E-08 51 6.3911858E-07 -2.6541958E-07 8.8779613E-08 52 9.8257601E-07 -4.3770287E-07 1.6370449E-07 53 1.6310223E-06 -6.8296567E-07 2.3162632E-07 54 2.5333086E-06 -1.1205170E-06 4.1453102E-07 55 4.2257110E-06 -1.7825560E-06 6.1174194E-07 56 6.7611457E-06 -2.9724417E-06 1.0889117E-06 57 1.1508847E-05 -4.8878793E-06 1.6948707E-06 58 1.9180365E-05 -8.3900877E-06 3.0471471E-06 59 3.3661482E-05 -1.4383340E-05 5.0310184E-06 60 5.8707636E-05 -2.5585512E-05 9.2268824E-06 61 1.0660024E-04 -4.5788607E-05 1.6124407E-05 62 1.9380708E-04 -8.4301635E-05 3.0247566E-05 63 3.6198864E-04 -1.5625036E-04 5.5288684E-05 64 6.7605921E-04 -2.9435573E-04 1.0530430E-04 65 1.2743914E-03 -5.5387335E-04 1.9668074E-04 66 2.3690947E-03 -1.0391676E-03 3.7153915E-04 67 4.3218361E-03 -1.9084942E-03 6.8034178E-04 68 7.5264874E-03 -3.3864902E-03 1.2147288E-03 69 1.2141838E-02 -5.6026700E-03 2.0128049E-03 70 1.7008481E-02 -8.1544256E-03 2.9553055E-03 71 1.9306342E-02 -9.6913388E-03 3.5344777E-03 72 1.5419290E-02 -7.7653380E-03 2.8438801E-03 73 6.9670993E-03 -5.8373336E-04 -8.4074451E-05 74 1.4036320E-03 6.9410845E-03 -3.2763692E-03 75 7.9113877E-05 9.3484529E-03 -4.7286715E-03 76 -1.4779749E-05 5.5677595E-03 -3.1895079E-03 77 -1.5311774E-05 1.2939384E-03 9.1483192E-04 78 -1.0710617E-05 1.1818241E-04 3.3264126E-03 79 -6.6969603E-06 1.7242821E-06 2.8832503E-03 80 -4.5576625E-06 4.5521414E-06 1.2715530E-03 81 -2.6492792E-06 -1.6254066E-06 2.6872167E-04 82 -2.0885748E-06 1.2598161E-06 2.7564701E-05 83 -8.5764043E-07 -5.2899133E-07 3.6322557E-06 84 -1.2101766E-06 3.9563787E-07 2.7841234E-07 85 5.9362371E-08 -1.5215331E-07 5.5930608E-08 86 -9.7575290E-07 1.3470477E-07 -1.0027873E-07 87 4.2901353E-07 -5.2261531E-08 4.2883090E-08 88 -5.6364758E-07 4.5591383E-08 -5.2860792E-08 2P+ 3P+ 4P+ -8.8697713E+01 -1.4102719E+01 -1.5725505E+00 ------------ ------------ ------------ *** Large-Component *** 1 1.6615466E-08 -7.1456527E-09 2.5434341E-09 2 -2.1785302E-08 9.2297333E-09 -3.3100733E-09 3 5.5066519E-08 -2.3333603E-08 8.3682319E-09 4 -2.3129817E-08 8.9846768E-09 -3.3699600E-09 5 1.0905175E-07 -4.5351258E-08 1.6424285E-08 6 5.4997850E-08 -2.7104510E-08 9.0343124E-09 7 2.8965604E-07 -1.1990442E-07 4.3541965E-08 8 4.3073820E-07 -1.9621073E-07 6.7925422E-08 9 1.1115342E-06 -4.6563720E-07 1.6811896E-07 10 2.2250535E-06 -9.9253206E-07 3.4727956E-07 11 5.1599016E-06 -2.1905174E-06 7.8582950E-07 12 1.1361915E-05 -5.0115422E-06 1.7640039E-06 13 2.6331595E-05 -1.1286998E-05 4.0311466E-06 14 6.0494610E-05 -2.6514145E-05 9.3672708E-06 15 1.4231787E-04 -6.1408923E-05 2.1874929E-05 16 3.3437622E-04 -1.4616676E-04 5.1761061E-05 17 7.9348688E-04 -3.4428914E-04 1.2249420E-04 18 1.8730050E-03 -8.1996395E-04 2.9088554E-04 19 4.4007877E-03 -1.9246542E-03 6.8487083E-04 20 1.0144851E-02 -4.4814684E-03 1.5934247E-03 21 2.2773086E-02 -1.0139974E-02 3.6166465E-03 22 4.8776997E-02 -2.2150080E-02 7.9141488E-03 23 9.6881168E-02 -4.5080685E-02 1.6191204E-02 24 1.6999519E-01 -8.1979365E-02 2.9588640E-02 25 2.5026141E-01 -1.2592062E-01 4.5870258E-02 26 2.7897188E-01 -1.4405581E-01 5.2666948E-02 27 2.0107077E-01 -6.2862779E-02 1.9230350E-02 28 8.0599902E-02 1.2779960E-01 -6.2896773E-02 29 1.5193900E-02 3.2988646E-01 -1.5668205E-01 30 1.6575278E-03 3.8888537E-01 -2.1430960E-01 31 2.8192097E-04 2.2845702E-01 -1.1195639E-01 32 1.1096823E-05 6.1445532E-02 1.4366691E-01 33 -1.8062173E-05 7.1826323E-03 3.5007274E-01 34 -9.4640478E-06 8.8960054E-04 3.7415571E-01 35 -5.0073441E-06 1.3506519E-04 2.3240778E-01 36 -1.1094149E-06 6.4546721E-05 8.1009547E-02 37 -1.1647724E-06 -1.3525449E-05 1.4863217E-02 38 2.0144617E-07 1.6379163E-05 2.9097770E-03 39 -3.1245087E-07 -1.2004429E-05 4.3366073E-04 40 1.9205871E-07 7.6910946E-06 2.0769966E-04 41 -1.2212142E-07 -4.9725209E-06 -7.6229718E-05 42 6.6614772E-08 2.6844308E-06 4.4543124E-05 43 -2.7596210E-08 -1.1015465E-06 -1.8462824E-05 44 6.3664678E-09 2.5145672E-07 4.2349853E-06 *** Small-Component *** 45 4.7714333E-08 -2.0020908E-08 7.2136505E-09 46 -3.2914277E-08 1.1731154E-08 -4.6064485E-09 47 1.1571461E-07 -4.4306992E-08 1.6739202E-08 48 2.6582062E-08 -2.1817092E-08 5.9145730E-09 49 2.3617243E-07 -8.6004550E-08 3.3377906E-08 50 2.8264467E-07 -1.4608866E-07 4.7619169E-08 51 6.9413008E-07 -2.6682721E-07 1.0060107E-07 52 1.1766060E-06 -5.5571579E-07 1.8891364E-07 53 2.4006701E-06 -9.7536879E-07 3.5728589E-07 54 4.4100837E-06 -1.9954353E-06 6.9256159E-07 55 8.6227868E-06 -3.6149395E-06 1.3032561E-06 56 1.6191512E-05 -7.1687046E-06 2.5150599E-06 57 3.1203810E-05 -1.3295893E-05 4.7552875E-06 58 5.8990263E-05 -2.5842497E-05 9.1173189E-06 59 1.1274660E-04 -4.8467080E-05 1.7267439E-05 60 2.1296759E-04 -9.2907851E-05 3.2876722E-05 61 4.0283921E-04 -1.7426179E-04 6.1984398E-05 62 7.5226703E-04 -3.2851707E-04 1.1648282E-04 63 1.3900754E-03 -6.0629786E-04 2.1566641E-04 64 2.5074883E-03 -1.1049503E-03 3.9270715E-04 65 4.3872248E-03 -1.9486785E-03 6.9478172E-04 66 7.3006422E-03 -3.3077594E-03 1.1814177E-03 67 1.1237184E-02 -5.2178491E-03 1.8734415E-03 68 1.5248063E-02 -7.3396073E-03 2.6483131E-03 69 1.7335019E-02 -8.7077926E-03 3.1713075E-03 70 1.4909511E-02 -7.6891305E-03 2.8107773E-03 71 8.2845592E-03 -2.5917088E-03 7.9373383E-04 72 2.5586195E-03 4.0436674E-03 -1.9896797E-03 73 3.7151683E-04 8.0478998E-03 -3.8213901E-03 74 3.1177848E-05 7.3094827E-03 -4.0271335E-03 75 4.0940305E-06 3.3076535E-03 -1.6208001E-03 76 1.1594812E-07 6.8518100E-04 1.6012340E-03 77 -1.4980362E-07 6.1682542E-05 3.0053910E-03 78 -6.6610400E-08 5.8842685E-06 2.4739454E-03 79 -2.2592447E-08 6.8698844E-07 1.1835112E-03 80 -6.4953349E-09 2.5387186E-07 3.1771683E-04 81 -1.9562629E-09 -4.1392966E-08 4.4893918E-05 82 -6.6008429E-10 3.8494984E-08 6.7693124E-06 83 2.3940604E-10 -2.1788907E-08 7.7660084E-07 84 -2.8049597E-10 1.0807383E-08 2.8682048E-07 85 2.1800160E-10 -5.4114311E-09 -8.1172395E-08 86 -1.4038504E-10 2.2698313E-09 3.6555584E-08 87 6.7517778E-11 -7.2621153E-10 -1.1682146E-08 88 -1.8127553E-11 1.3004788E-10 2.0670878E-09 3D- 4D- -8.2929602E+00 -2.5753709E-01 ------------ ------------ *** Large-Component *** 1 4.4241728E-08 1.0753239E-08 2 -4.0148335E-08 -9.8360690E-09 3 1.2608426E-07 3.0838427E-08 4 -2.0444007E-09 -1.0561917E-09 5 2.6867390E-07 6.6267079E-08 6 2.8165413E-07 6.6221832E-08 7 8.4081164E-07 2.0781148E-07 8 1.6168358E-06 3.8505859E-07 9 3.8167007E-06 9.3892658E-07 10 9.1662409E-06 2.1999728E-06 11 2.3219004E-05 5.6782214E-06 12 6.3576988E-05 1.5351970E-05 13 1.7881079E-04 4.3570598E-05 14 5.2494188E-04 1.2730087E-04 15 1.5448475E-03 3.7639260E-04 16 4.5241904E-03 1.1020658E-03 17 1.2543348E-02 3.0682306E-03 18 3.1770003E-02 7.7957378E-03 19 7.2312655E-02 1.7901182E-02 20 1.4245641E-01 3.5499581E-02 21 2.2378123E-01 5.5116495E-02 22 2.7766629E-01 6.5742123E-02 23 2.6119856E-01 5.5449586E-02 24 1.6148344E-01 -2.5754119E-03 25 5.8697754E-02 -1.0322478E-01 26 1.1324978E-02 -1.9568812E-01 27 1.3230633E-03 -2.4650896E-01 28 2.4880035E-04 -2.4890328E-01 29 1.1251015E-04 -2.1204886E-01 30 6.2215777E-05 -1.5020385E-01 31 3.8083916E-05 -8.0578912E-02 32 8.6398399E-06 -2.5810488E-02 33 3.0259067E-06 -3.2818576E-03 34 -9.0638076E-07 -6.8917681E-05 35 4.2264128E-07 -3.4502342E-06 36 -1.0950553E-07 7.0961347E-07 *** Small-Component *** 37 4.7769662E-09 1.3018220E-09 38 2.2622454E-09 3.3125339E-11 39 9.0559269E-09 3.3061133E-09 40 2.6228686E-08 4.4437384E-09 41 3.6678400E-08 1.1883682E-08 42 1.2655467E-07 2.6290588E-08 43 2.2340353E-07 6.0539560E-08 44 6.3337303E-07 1.4466394E-07 45 1.3574677E-06 3.4204574E-07 46 3.5046324E-06 8.3258086E-07 47 8.2098805E-06 2.0174761E-06 48 2.0471863E-05 4.9344707E-06 49 4.9095071E-05 1.1972150E-05 50 1.1885480E-04 2.8815560E-05 51 2.7975786E-04 6.8168291E-05 52 6.4364981E-04 1.5678362E-04 53 1.3851377E-03 3.3882565E-04 54 2.7030131E-03 6.6326602E-04 55 4.7175992E-03 1.1678707E-03 56 7.1073045E-03 1.7712117E-03 57 8.5251430E-03 2.0999372E-03 58 8.0699410E-03 1.9109130E-03 59 5.7882554E-03 1.2290189E-03 60 2.7272137E-03 -4.3549616E-05 61 7.5479638E-04 -1.3296802E-03 62 1.1041568E-04 -1.9212545E-03 63 9.4937211E-06 -1.8445501E-03 64 1.2125685E-06 -1.4194350E-03 65 3.8442769E-07 -9.2160376E-04 66 1.5241792E-07 -4.9751832E-04 67 7.0168987E-08 -2.0340754E-04 68 1.5362359E-09 -4.9652234E-05 69 -5.6146030E-10 -4.8106226E-06 70 -6.8545945E-09 -7.5358514E-08 71 9.4976458E-10 -3.1205020E-09 72 -2.6760094E-09 1.1836509E-09 3D+ 4D+ -8.1831095E+00 -2.5230762E-01 ------------ ------------ *** Large-Component *** 1 1.1214218E-08 -2.7599678E-09 2 -4.3732481E-09 1.3303626E-09 3 4.9840654E-08 -1.2785787E-08 4 5.9541822E-08 -1.2620613E-08 5 2.6689320E-07 -6.7728635E-08 6 6.7645146E-07 -1.5665478E-07 7 2.0930328E-06 -5.1587869E-07 8 6.0754095E-06 -1.4439887E-06 9 1.8104217E-05 -4.4000072E-06 10 5.3372490E-05 -1.2806811E-05 11 1.5678610E-04 -3.7930926E-05 12 4.5460803E-04 -1.0954773E-04 13 1.2985754E-03 -3.1416810E-04 14 3.6140937E-03 -8.7437299E-04 15 9.5586761E-03 -2.3209511E-03 16 2.3266023E-02 -5.6637091E-03 17 5.1579586E-02 -1.2644177E-02 18 1.0246191E-01 -2.5321283E-02 19 1.7149912E-01 -4.2357868E-02 20 2.3374766E-01 -5.6312438E-02 21 2.6061872E-01 -6.0194291E-02 22 2.2040171E-01 -4.0954755E-02 23 1.2588223E-01 2.0022010E-02 24 4.5157954E-02 1.0695251E-01 25 9.2292240E-03 1.8268700E-01 26 1.3251096E-03 2.2545482E-01 27 2.2371565E-04 2.3082076E-01 28 1.4892911E-04 2.0432262E-01 29 4.3161328E-05 1.5594562E-01 30 6.4305312E-05 9.7101427E-02 31 2.7528418E-06 4.2568670E-02 32 1.5472112E-05 1.0092314E-02 33 -6.7569199E-06 8.2220922E-04 34 3.9751505E-06 1.7713733E-05 35 -1.6998187E-06 -2.7161452E-06 36 4.1240917E-07 6.7057643E-07 *** Small-Component *** 37 2.2650982E-08 -5.6563475E-09 38 -2.1147057E-09 1.2761569E-09 39 7.2249868E-08 -1.9121272E-08 40 9.2410361E-08 -1.9237611E-08 41 2.9347131E-07 -7.5418078E-08 42 6.3981774E-07 -1.4723852E-07 43 1.5762098E-06 -3.8952024E-07 44 3.7067731E-06 -8.7962082E-07 45 8.8124297E-06 -2.1423834E-06 46 2.0669735E-05 -4.9571301E-06 47 4.8039038E-05 -1.1620044E-05 48 1.0981829E-04 -2.6454954E-05 49 2.4653583E-04 -5.9630964E-05 50 5.3794802E-04 -1.3011565E-04 51 1.1132242E-03 -2.7024337E-04 52 2.1166089E-03 -5.1514512E-04 53 3.6614646E-03 -8.9739447E-04 54 5.6712505E-03 -1.4012849E-03 55 7.3964090E-03 -1.8265395E-03 56 7.8511931E-03 -1.8912040E-03 57 6.8160574E-03 -1.5741106E-03 58 4.4878326E-03 -8.3391210E-04 59 1.9954211E-03 3.1715779E-04 60 5.5722165E-04 1.3193512E-03 61 8.8646667E-05 1.7543361E-03 62 9.9077001E-06 1.6853257E-03 63 1.3013384E-06 1.3431120E-03 64 6.7497633E-07 9.2547433E-04 65 1.5189335E-07 5.4983248E-04 66 1.7669093E-07 2.6649673E-04 67 5.7383765E-09 9.0942082E-05 68 2.5826211E-08 1.6783206E-05 69 -8.8080603E-09 1.0643113E-06 70 4.0401988E-09 1.7856711E-08 71 -1.3487719E-09 -2.1336294E-09 72 2.5585650E-10 4.1013809E-10 RADIAL MOMENTS Sym Orb S+ 1 3.78667E+03 4.24019E+01 3.60822E-02 1.75635E-03 1.07788E-04 7.99482E-06 2 4.12722E+02 9.65221E+00 1.57367E-01 2.92631E-02 6.20323E-03 1.48392E-03 3 7.42062E+01 3.29247E+00 4.40173E-01 2.21959E-01 1.24040E-01 7.62491E-02 4 1.13862E+01 1.15122E+00 1.16853E+00 1.54697E+00 2.26581E+00 3.65447E+00 5 7.64638E-01 3.10827E-01 4.05087E+00 1.88937E+01 9.99132E+01 5.94463E+02 P- 1 1.32996E+02 9.59150E+00 1.34682E-01 2.22690E-02 4.37853E-03 1.00128E-03 2 2.36209E+01 3.18149E+00 4.36585E-01 2.21878E-01 1.26543E-01 8.03025E-02 3 3.32844E+00 1.03076E+00 1.29167E+00 1.91386E+00 3.18294E+00 5.92137E+00 P+ 1 1.14398E+02 9.16018E+00 1.39107E-01 2.36300E-02 4.76088E-03 1.11401E-03 2 2.04708E+01 3.08099E+00 4.46509E-01 2.31881E-01 1.35095E-01 8.75553E-02 3 2.90575E+00 1.00342E+00 1.32115E+00 2.00274E+00 3.40954E+00 6.49740E+00 D- 1 1.05258E+01 2.87143E+00 4.29676E-01 2.22085E-01 1.35375E-01 9.58041E-02 2 7.93583E-01 6.40013E-01 2.11572E+00 5.57371E+00 1.79702E+01 6.98912E+01 D+ 1 1.02983E+01 2.84491E+00 4.33093E-01 2.25483E-01 1.38397E-01 9.85985E-02 2 7.70157E-01 6.31920E-01 2.14243E+00 5.71924E+00 1.86946E+01 7.37262E+01 ******************************************************************************************* ******************************************************************************************* Mo [Kr]5s(1)4d(5) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 42.0 Atomic Mass = 98.0 Nuclear Radius = 1.079370E-04 Speed of Light = 137.0359955 S+ P- P+ D- D+ Number of Closed Shells 4 3 3 1 1 Open Shells 1 0 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.02380952 1.0 0.0 0.0 4.0 1.0 0.0 0.0 2 0.23809524 1.0 0.0 0.0 3.0 2.0 0.0 0.0 3 0.47619048 1.0 0.0 0.0 2.0 3.0 0.0 0.0 4 0.23809524 1.0 0.0 0.0 1.0 4.0 0.0 0.0 5 0.02380952 1.0 0.0 0.0 0.0 5.0 0.0 0.0 ENERGIES Total Energy = -4.04714136507344E+03 Mass Energy = -4.04703230435269E+03 Kinetic Energy = 8.24453931945955E+03 Potential Energy = -8.24464838018030E+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+ 5S+ -7.3945604E+02 -1.0720255E+02 -1.9452430E+01 -2.9299475E+00 -2.1204766E-01 ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 -1.0847251E-06 3.6080885E-07 -1.5239802E-07 5.9704536E-08 1.4631858E-08 2 5.2392532E-06 -1.7422642E-06 7.3589270E-07 -2.8828848E-07 -7.0650524E-08 3 -3.4213555E-07 1.1243674E-07 -4.6634649E-08 1.8535398E-08 4.5642108E-09 4 1.1085540E-05 -3.6876341E-06 1.5567543E-06 -6.1017852E-07 -1.4956119E-07 5 5.6027288E-06 -1.8710549E-06 7.9381134E-07 -3.0994386E-07 -7.5871935E-08 6 2.1886932E-05 -7.2889252E-06 3.0761052E-06 -1.2062227E-06 -2.9570071E-07 7 2.1934789E-05 -7.3296952E-06 3.1066489E-06 -1.2141599E-06 -2.9730875E-07 8 4.8068296E-05 -1.6041428E-05 6.7696767E-06 -2.6554338E-06 -6.5103848E-07 9 6.4683612E-05 -2.1659954E-05 9.1811866E-06 -3.5890961E-06 -8.7890866E-07 10 1.1823719E-04 -3.9579896E-05 1.6706580E-05 -6.5549449E-06 -1.6072193E-06 11 1.8330523E-04 -6.1580180E-05 2.6113840E-05 -1.0209245E-05 -2.5000923E-06 12 3.2114988E-04 -1.0793707E-04 4.5578435E-05 -1.7886913E-05 -4.3859870E-06 13 5.3906836E-04 -1.8186574E-04 7.7168381E-05 -3.0171664E-05 -7.3886320E-06 14 9.5499486E-04 -3.2254800E-04 1.3628651E-04 -5.3492960E-05 -1.3117242E-05 15 1.6903977E-03 -5.7335058E-04 2.4344879E-04 -9.5200453E-05 -2.3313996E-05 16 3.0751617E-03 -1.0453402E-03 4.4210431E-04 -1.7354504E-04 -4.2555904E-05 17 5.6412682E-03 -1.9288314E-03 8.1979917E-04 -3.2067954E-04 -7.8537569E-05 18 1.0476983E-02 -3.6020339E-03 1.5260041E-03 -5.9911490E-04 -1.4691174E-04 19 1.9490763E-02 -6.7789959E-03 2.8875928E-03 -1.1301885E-03 -2.7682607E-04 20 3.6041181E-02 -1.2740405E-02 5.4192859E-03 -2.1288234E-03 -5.2204662E-04 21 6.5202446E-02 -2.3757064E-02 1.0184469E-02 -3.9913769E-03 -9.7785283E-04 22 1.1266401E-01 -4.3117261E-02 1.8548493E-02 -7.3007140E-03 -1.7908369E-03 23 1.7869946E-01 -7.4597145E-02 3.2612613E-02 -1.2826466E-02 -3.1439898E-03 24 2.4284649E-01 -1.1706089E-01 5.2085812E-02 -2.0634701E-02 -5.0667144E-03 25 2.5113719E-01 -1.5114446E-01 7.0058304E-02 -2.7825169E-02 -6.8291783E-03 26 1.6277500E-01 -1.1719873E-01 5.6329182E-02 -2.2744168E-02 -5.6042647E-03 27 4.8758381E-02 6.1024483E-02 -3.5034700E-02 1.4697233E-02 3.6488568E-03 28 4.3123970E-03 3.6392456E-01 -2.5106293E-01 1.0741886E-01 2.6651295E-02 29 4.1120269E-04 4.7031573E-01 -4.3295587E-01 1.9750314E-01 4.9526532E-02 30 -8.5899586E-05 2.3515500E-01 -2.4175371E-01 1.1108805E-01 2.7839955E-02 31 -1.4925378E-06 4.0381046E-02 2.9441924E-01 -1.5647716E-01 -3.9703207E-02 32 -5.6994812E-05 2.9563105E-03 6.5662828E-01 -5.2391003E-01 -1.4518223E-01 33 2.0338959E-05 4.7845840E-04 3.5319277E-01 -4.4236261E-01 -1.2759494E-01 34 -1.4427072E-05 -1.4799711E-04 5.0746711E-02 1.9309055E-01 7.2474193E-02 35 1.3894808E-05 -2.2292215E-05 4.7303714E-03 6.0978544E-01 2.2204213E-01 36 -8.3674538E-06 -6.1962238E-05 2.2928124E-05 4.6928336E-01 2.3634824E-01 37 6.6647278E-06 2.1662058E-05 8.0662092E-04 1.2672738E-01 1.3623876E-01 38 -4.7181782E-06 -2.0524408E-05 -4.1523160E-04 1.4262074E-02 -3.5267489E-02 39 3.3291648E-06 1.4135017E-05 3.1352929E-04 -7.6442418E-04 -2.7532471E-01 40 -2.2505211E-06 -9.4483542E-06 -2.1307731E-04 1.7990051E-03 -4.5648764E-01 41 1.3912524E-06 6.0807673E-06 1.2739863E-04 -7.4280816E-04 -3.4498593E-01 42 -7.4666330E-07 -3.1686398E-06 -7.0478196E-05 5.7551322E-04 -8.2801839E-02 43 2.9986228E-07 1.2889020E-06 2.8104654E-05 -2.1721702E-04 -2.6295629E-03 44 -6.6103960E-08 -2.8437064E-07 -6.2140012E-06 4.9135979E-05 -4.1521850E-05 *** Small-Component *** 45 -2.3979208E-06 7.9590997E-07 -3.3499668E-07 1.3160789E-07 3.2285116E-08 46 2.6629653E-06 -8.8163598E-07 3.6725509E-07 -1.4555639E-07 -3.5815296E-08 47 1.1044047E-05 -3.6775840E-06 1.5660539E-06 -6.0921448E-07 -1.4893505E-07 48 1.5533038E-05 -5.1474663E-06 2.1528984E-06 -8.5034603E-07 -2.0898796E-07 49 3.1457366E-05 -1.0475860E-05 4.4610323E-06 -1.7354119E-06 -4.2425760E-07 50 4.6193353E-05 -1.5317477E-05 6.4205871E-06 -2.5312686E-06 -6.2170683E-07 51 7.5551029E-05 -2.5155433E-05 1.0701898E-05 -4.1666349E-06 -1.0189144E-06 52 1.1379941E-04 -3.7754985E-05 1.5850385E-05 -6.2407408E-06 -1.5321006E-06 53 1.7575508E-04 -5.8509816E-05 2.4863420E-05 -9.6897963E-06 -2.3703754E-06 54 2.6573862E-04 -8.8211982E-05 3.7079184E-05 -1.4584315E-05 -3.5791847E-06 55 4.0394980E-04 -1.3448376E-04 5.7092083E-05 -2.2269465E-05 -5.4493528E-06 56 6.1030386E-04 -2.0274583E-04 8.5310729E-05 -3.3528254E-05 -8.2259694E-06 57 9.2288910E-04 -3.0741933E-04 1.3041174E-04 -5.0906097E-05 -1.2459909E-05 58 1.3918506E-03 -4.6305396E-04 1.9502729E-04 -7.6600498E-05 -1.8789318E-05 59 2.0975222E-03 -6.9997414E-04 2.9681903E-04 -1.1593609E-04 -2.8382789E-05 60 3.1516658E-03 -1.0521925E-03 4.4363898E-04 -1.7417051E-04 -4.2714976E-05 61 4.7202902E-03 -1.5837452E-03 6.7172927E-04 -2.6253250E-04 -6.4283402E-05 62 7.0233603E-03 -2.3671286E-03 9.9985134E-04 -3.9246903E-04 -9.6241867E-05 63 1.0344553E-02 -3.5261148E-03 1.4982872E-03 -5.8602223E-04 -1.4351908E-04 64 1.4958754E-02 -5.1815748E-03 2.1978084E-03 -8.6304597E-04 -2.1163739E-04 65 2.0972750E-02 -7.4909513E-03 3.2032468E-03 -1.2546777E-03 -3.0735457E-04 66 2.7861284E-02 -1.0458516E-02 4.4876379E-03 -1.7656483E-03 -4.3308660E-04 67 3.3772696E-02 -1.3840444E-02 6.0370324E-03 -2.3732754E-03 -5.8168808E-04 68 3.4908310E-02 -1.6536297E-02 7.3423217E-03 -2.9077783E-03 -7.1395258E-04 69 2.7358293E-02 -1.6207805E-02 7.5004385E-03 -2.9780643E-03 -7.3087734E-04 70 1.3398523E-02 -9.5354278E-03 4.5813492E-03 -1.8496693E-03 -4.5575960E-04 71 3.0269141E-03 3.6576067E-03 -2.0888035E-03 8.7579183E-04 2.1743038E-04 72 2.0115935E-04 1.6686285E-02 -1.1481190E-02 4.9100302E-03 1.2181238E-03 73 1.4465955E-05 1.6267896E-02 -1.4944159E-02 6.8153963E-03 1.7089953E-03 74 -2.3621737E-06 6.1249114E-03 -6.2900224E-03 2.8906469E-03 7.2444085E-04 75 4.0345083E-08 7.9166154E-04 5.7523553E-03 -3.0554076E-03 -7.7516807E-04 76 -8.9279916E-07 4.3484701E-05 9.6628964E-03 -7.7065627E-03 -2.1354722E-03 77 2.6197009E-07 5.3635533E-06 3.9119209E-03 -4.8979805E-03 -1.4127712E-03 78 -1.4570225E-07 -1.2800703E-06 4.2286692E-04 1.6081537E-03 6.0355800E-04 79 1.0547300E-07 -1.0690579E-07 2.9700609E-05 3.8221694E-03 1.3917037E-03 80 -5.2494734E-08 -3.1653794E-07 7.9723245E-08 2.2134233E-03 1.1146941E-03 81 3.2934297E-08 9.4314993E-08 2.8828965E-06 4.4973214E-04 4.8347572E-04 82 -1.9173582E-08 -6.7271902E-08 -1.1228481E-06 3.8098068E-05 -9.4163951E-05 83 1.1313104E-08 3.7127412E-08 6.3966384E-07 -1.5451164E-06 -5.5317856E-04 84 -6.5665270E-09 -2.0175435E-08 -3.2863668E-07 2.7259668E-06 -6.9011419E-04 85 3.6116571E-09 1.0631253E-08 1.4900426E-07 -8.4886246E-07 -3.9243663E-04 86 -1.7911008E-09 -4.7676158E-09 -6.2581388E-08 4.9472605E-07 -7.0872307E-05 87 7.0622305E-10 1.7106920E-09 1.9069217E-08 -1.4079045E-07 -1.6938205E-06 88 -1.6347391E-10 -3.5160882E-10 -3.2478200E-09 2.4022999E-08 -2.0053251E-08 2P- 3P- 4P- -9.8272366E+01 -1.5999601E+01 -1.8470652E+00 ------------ ------------ ------------ *** Large-Component *** 1 -8.3881762E-08 3.6457533E-08 -1.3291415E-08 2 6.0734862E-08 -2.6406583E-08 9.6527541E-09 3 5.7215191E-07 -2.4863756E-07 9.0520945E-08 4 5.5045059E-07 -2.3927272E-07 8.7319487E-08 5 1.5440378E-06 -6.7098181E-07 2.4424295E-07 6 1.8755621E-06 -8.1525744E-07 2.9744524E-07 7 3.5725178E-06 -1.5524794E-06 5.6500674E-07 8 4.9585474E-06 -2.1553960E-06 7.8645284E-07 9 8.2428979E-06 -3.5820594E-06 1.3032936E-06 10 1.2148993E-05 -5.2813171E-06 1.9275839E-06 11 1.9285729E-05 -8.3810967E-06 3.0481023E-06 12 2.9303397E-05 -1.2740504E-05 4.6524298E-06 13 4.6169647E-05 -2.0066475E-05 7.2935643E-06 14 7.2040662E-05 -3.1332772E-05 1.1450422E-05 15 1.1583383E-04 -5.0363597E-05 1.8292318E-05 16 1.8894122E-04 -8.2244144E-05 3.0083889E-05 17 3.2202709E-04 -1.4016991E-04 5.0882943E-05 18 5.7208470E-04 -2.4948754E-04 9.1331140E-05 19 1.0855893E-03 -4.7382572E-04 1.7206552E-04 20 2.1842419E-03 -9.5643530E-04 3.5022777E-04 21 4.6806391E-03 -2.0559505E-03 7.4797712E-04 22 1.0399017E-02 -4.5982184E-03 1.6847995E-03 23 2.3524550E-02 -1.0504907E-02 3.8362077E-03 24 5.2095105E-02 -2.3682469E-02 8.7100347E-03 25 1.0827862E-01 -5.0607239E-02 1.8634270E-02 26 1.9640222E-01 -9.5318658E-02 3.5443496E-02 27 2.8801638E-01 -1.4663947E-01 5.4852532E-02 28 2.9267304E-01 -1.4552733E-01 5.4414540E-02 29 1.6560210E-01 7.6890655E-03 -1.2759777E-02 30 4.1776048E-02 2.6836298E-01 -1.3014750E-01 31 4.0456551E-03 4.3947646E-01 -2.3550067E-01 32 5.0153509E-04 3.1221953E-01 -1.7749938E-01 33 1.2509329E-05 8.2946963E-02 1.3328341E-01 34 -1.9027993E-05 9.1648537E-03 4.0007957E-01 35 -1.3357269E-05 -9.5061473E-05 4.0348896E-01 36 -5.4795247E-06 8.5950601E-04 2.0725905E-01 37 -1.0763528E-06 -5.1143469E-04 5.1062458E-02 38 -1.1974556E-06 4.1163460E-04 6.2878305E-03 39 4.3366670E-07 -2.9311576E-04 1.4584538E-03 40 -3.8180232E-07 2.0149493E-04 -1.1428016E-05 41 2.4673520E-07 -1.2942796E-04 1.3462023E-04 42 -1.3975574E-07 7.2728981E-05 -6.9601620E-05 43 6.1219578E-08 -3.1705366E-05 3.0673255E-05 44 -1.5372217E-08 7.8669368E-06 -7.6359318E-06 *** Small-Component *** 45 -1.3053101E-08 5.7221711E-09 -2.2574058E-09 46 3.3907884E-08 -1.4917360E-08 6.0744114E-09 47 7.2951114E-08 -3.1317037E-08 1.0014412E-08 48 1.4686813E-07 -6.4526771E-08 2.5947877E-08 49 2.6858383E-07 -1.1568522E-07 3.8340993E-08 50 4.2598576E-07 -1.8678861E-07 7.3713030E-08 51 7.2388168E-07 -3.1244491E-07 1.0570039E-07 52 1.1091468E-06 -4.8558632E-07 1.8854103E-07 53 1.8427367E-06 -7.9683430E-07 2.7398986E-07 54 2.8545852E-06 -1.2483089E-06 4.7796762E-07 55 4.7583583E-06 -2.0613382E-06 7.1881253E-07 56 7.5923223E-06 -3.3175272E-06 1.2545868E-06 57 1.2904178E-05 -5.6006164E-06 1.9773957E-06 58 2.1441570E-05 -9.3653642E-06 3.5033229E-06 59 3.7554056E-05 -1.6330627E-05 5.8270848E-06 60 6.5297583E-05 -2.8523423E-05 1.0575260E-05 61 1.1829900E-04 -5.1549823E-05 1.8546927E-05 62 2.1445010E-04 -9.3760645E-05 3.4539337E-05 63 3.9958840E-04 -1.7461412E-04 6.3197731E-05 64 7.4408652E-04 -3.2627665E-04 1.1973557E-04 65 1.3985183E-03 -6.1470456E-04 2.2343741E-04 66 2.5899989E-03 -1.1458706E-03 4.2008878E-04 67 4.7031378E-03 -2.1007503E-03 7.6701624E-04 68 8.1358460E-03 -3.6995533E-03 1.3608336E-03 69 1.2984100E-02 -6.0707419E-03 2.2353342E-03 70 1.7886700E-02 -8.6866617E-03 3.2304710E-03 71 1.9789424E-02 -1.0086676E-02 3.7736059E-03 72 1.5096359E-02 -7.5247305E-03 2.8149415E-03 73 6.3669398E-03 3.1058651E-04 -4.9855394E-04 74 1.1591243E-03 7.8278571E-03 -3.7937567E-03 75 4.8593037E-05 9.5975474E-03 -5.1409298E-03 76 -1.7716227E-05 5.1063223E-03 -2.9026496E-03 77 -1.6556368E-05 1.0165155E-03 1.6291188E-03 78 -1.1106060E-05 8.4808014E-05 3.6640831E-03 79 -7.0309830E-06 -1.6704540E-07 2.7668194E-03 80 -4.7167787E-06 4.7688675E-06 1.0638614E-03 81 -2.7755909E-06 -1.7747160E-06 1.9604696E-04 82 -2.1650364E-06 1.3487845E-06 1.7889382E-05 83 -8.9803691E-07 -5.7100674E-07 3.0555495E-06 84 -1.2572590E-06 4.1953247E-07 -1.4018932E-07 85 6.0435835E-08 -1.6268563E-07 1.6836430E-07 86 -1.0153078E-06 1.4066826E-07 -1.6135023E-07 87 4.4645147E-07 -5.4414103E-08 6.4040835E-08 88 -5.8680532E-07 4.6765988E-08 -6.0772390E-08 2P+ 3P+ 4P+ -9.4331366E+01 -1.5326303E+01 -1.7498898E+00 ------------ ------------ ------------ *** Large-Component *** 1 1.8657630E-08 -8.1040346E-09 2.9451640E-09 2 -2.4459430E-08 1.0479059E-08 -3.8083164E-09 3 6.1822318E-08 -2.6491606E-08 9.6278440E-09 4 -2.6097314E-08 1.0336967E-08 -3.7568281E-09 5 1.2234165E-07 -5.1541128E-08 1.8732890E-08 6 6.0807696E-08 -2.9985946E-08 1.0898113E-08 7 3.2387992E-07 -1.3588074E-07 4.9391149E-08 8 4.7786234E-07 -2.1891123E-07 7.9568701E-08 9 1.2368634E-06 -5.2457570E-07 1.9069318E-07 10 2.4630101E-06 -1.1067492E-06 4.0231635E-07 11 5.7150017E-06 -2.4535931E-06 8.9200203E-07 12 1.2538607E-05 -5.5766064E-06 2.0273932E-06 13 2.9046477E-05 -1.2582420E-05 4.5748196E-06 14 6.6556685E-05 -2.9431966E-05 1.0701691E-05 15 1.5644734E-04 -6.8193980E-05 2.4799056E-05 16 3.6680797E-04 -1.6184480E-04 5.8864332E-05 17 8.6937428E-04 -3.8102390E-04 1.3861852E-04 18 2.0477012E-03 -9.0519212E-04 3.2944657E-04 19 4.8011687E-03 -2.1214478E-03 7.7263182E-04 20 1.1033104E-02 -4.9247811E-03 1.7956098E-03 21 2.4670664E-02 -1.1108655E-02 4.0579313E-03 22 5.2516061E-02 -2.4134536E-02 8.8433282E-03 23 1.0328538E-01 -4.8692499E-02 1.7923598E-02 24 1.7858859E-01 -8.7335129E-02 3.2345107E-02 25 2.5723701E-01 -1.3143741E-01 4.9116824E-02 26 2.7606803E-01 -1.4283433E-01 5.3474575E-02 27 1.8834131E-01 -4.6548693E-02 1.2337185E-02 28 7.0234896E-02 1.5375080E-01 -7.6505170E-02 29 1.1987842E-02 3.5265527E-01 -1.7543275E-01 30 1.3224553E-03 3.8176687E-01 -2.2223567E-01 31 1.7423279E-04 1.9969189E-01 -7.9066000E-02 32 1.2635516E-05 4.7114258E-02 1.9525347E-01 33 -3.7719823E-05 4.7431493E-03 3.7635375E-01 34 1.3570621E-06 8.9964046E-04 3.5655742E-01 35 -1.4413744E-05 -1.4083937E-05 1.9726988E-01 36 5.3998830E-06 1.7058312E-04 6.0592143E-02 37 -6.1248039E-06 -9.2524269E-05 1.0159006E-02 38 3.8488264E-06 7.6498709E-05 2.1333274E-03 39 -2.8778983E-06 -5.5420344E-05 2.6965484E-04 40 1.9462174E-06 3.7580199E-05 1.5005503E-04 41 -1.2207959E-06 -2.3825165E-05 -6.1189310E-05 42 6.6268471E-07 1.2938522E-05 3.5193637E-05 43 -2.7357010E-07 -5.3334600E-06 -1.4698821E-05 44 6.2842784E-08 1.2241166E-06 3.4081903E-06 *** Small-Component *** 45 5.2404714E-08 -2.2247594E-08 8.0850439E-09 46 -3.6174124E-08 1.3220025E-08 -4.8052883E-09 47 1.2754557E-07 -4.9788471E-08 1.8095709E-08 48 2.8410327E-08 -2.3010849E-08 8.3574934E-09 49 2.6116012E-07 -9.7436984E-08 3.5415924E-08 50 3.0813405E-07 -1.5904017E-07 5.7784583E-08 51 7.6620661E-07 -3.0022324E-07 1.0911687E-07 52 1.2870690E-06 -6.1008086E-07 2.2168406E-07 53 2.6428654E-06 -1.0892420E-06 3.9586520E-07 54 4.8305817E-06 -2.1996243E-06 7.9932175E-07 55 9.4742127E-06 -4.0190410E-06 1.4606269E-06 56 1.7740924E-05 -7.9166459E-06 2.8770022E-06 57 3.4235872E-05 -1.4743414E-05 5.3583572E-06 58 6.4614260E-05 -2.8552593E-05 1.0377433E-05 59 1.2353874E-04 -5.3643810E-05 1.9499091E-05 60 2.3304953E-04 -1.0260241E-04 3.7300232E-05 61 4.4061808E-04 -1.9250405E-04 7.0001664E-05 62 8.2147720E-04 -3.6218739E-04 1.3175841E-04 63 1.5154664E-03 -6.6772627E-04 2.4307702E-04 64 2.7259482E-03 -1.2136010E-03 4.4229565E-04 65 4.7520202E-03 -2.1342187E-03 7.7929570E-04 66 7.8601984E-03 -3.6036429E-03 1.3199275E-03 67 1.1980900E-02 -5.6357558E-03 2.0737846E-03 68 1.6020676E-02 -7.8193104E-03 2.8950513E-03 69 1.7821108E-02 -9.0901400E-03 3.3960289E-03 70 1.4756967E-02 -7.6253131E-03 2.8544434E-03 71 7.7612576E-03 -1.9216078E-03 5.1080843E-04 72 2.2298989E-03 4.8656122E-03 -2.4204704E-03 73 2.9315071E-04 8.6037626E-03 -4.2787977E-03 74 2.4877240E-05 7.1760379E-03 -4.1762343E-03 75 2.5296281E-06 2.8912899E-03 -1.1448562E-03 76 1.3635135E-07 5.2539546E-04 2.1762876E-03 77 -3.2102486E-07 4.0728323E-05 3.2310481E-03 78 6.6860193E-09 5.9543087E-06 2.3575998E-03 79 -7.1760243E-08 -7.5317321E-08 1.0045797E-03 80 1.9948280E-08 6.7174055E-07 2.3764159E-04 81 -1.7597064E-08 -2.8144705E-07 3.0684746E-05 82 8.2940256E-09 1.7937447E-07 4.9631553E-06 83 -4.6827604E-09 -1.0029125E-07 4.8274839E-07 84 2.3555807E-09 5.2536189E-08 2.0728641E-07 85 -1.0808712E-09 -2.5755713E-08 -6.5176505E-08 86 4.1781710E-10 1.0835653E-08 2.8888315E-08 87 -1.1763778E-10 -3.4690516E-09 -9.3018348E-09 88 1.6768855E-11 6.2098253E-10 1.6636969E-09 3D- 4D- -9.2590705E+00 -3.0156464E-01 ------------ ------------ *** Large-Component *** 1 5.1064728E-08 -1.3338537E-08 2 -4.6432243E-08 1.2116620E-08 3 1.4572705E-07 -3.8036110E-08 4 -3.0625278E-09 7.1449538E-10 5 3.1109060E-07 -8.1115983E-08 6 3.2211308E-07 -8.4486229E-08 7 9.7366648E-07 -2.5383725E-07 8 1.8544719E-06 -4.8570832E-07 9 4.4115762E-06 -1.1509959E-06 10 1.0523202E-05 -2.7543286E-06 11 2.6753926E-05 -6.9881583E-06 12 7.2924870E-05 -1.9084654E-05 13 2.0518128E-04 -5.3666731E-05 14 6.0037095E-04 -1.5726845E-04 15 1.7639034E-03 -4.6249366E-04 16 5.1395429E-03 -1.3508909E-03 17 1.4136123E-02 -3.7261974E-03 18 3.5447587E-02 -9.3889328E-03 19 7.9810943E-02 -2.1327563E-02 20 1.5391778E-01 -4.1400255E-02 21 2.3517321E-01 -6.2211695E-02 22 2.8337828E-01 -7.1873120E-02 23 2.5210000E-01 -5.3776938E-02 24 1.4192249E-01 2.2140381E-02 25 4.5637323E-02 1.3497925E-01 26 7.5259976E-03 2.2407878E-01 27 9.8174918E-04 2.5960854E-01 28 1.9008283E-04 2.4287218E-01 29 1.6603704E-04 1.9058273E-01 30 4.2639680E-05 1.2141724E-01 31 5.5891942E-05 5.5475769E-02 32 -7.7157469E-06 1.3699415E-02 33 1.0998974E-05 1.1521464E-03 34 -5.8954327E-06 3.3378684E-06 35 2.6413072E-06 5.0445656E-06 36 -6.8318401E-07 -1.4461869E-06 *** Small-Component *** 37 5.7918992E-09 -1.4924027E-09 38 1.9752156E-09 -5.9206930E-10 39 1.2010686E-08 -2.9754387E-09 40 2.8158726E-08 -7.6412303E-09 41 4.6430585E-08 -1.1695093E-08 42 1.4156663E-07 -3.7648379E-08 43 2.6677288E-07 -6.8793738E-08 44 7.2210581E-07 -1.9007231E-07 45 1.5834236E-06 -4.1205077E-07 46 4.0206930E-06 -1.0537786E-06 47 9.4816563E-06 -2.4755945E-06 48 2.3485756E-05 -6.1480139E-06 49 5.6364452E-05 -1.4742083E-05 50 1.3594664E-04 -3.5613034E-05 51 3.1946548E-04 -8.3763262E-05 52 7.3125758E-04 -1.9220627E-04 53 1.5611758E-03 -4.1151962E-04 54 3.0160724E-03 -7.9886505E-04 55 5.2069279E-03 -1.3914506E-03 56 7.6792806E-03 -2.0656929E-03 57 8.9592091E-03 -2.3703216E-03 58 8.2359161E-03 -2.0891502E-03 59 5.5864013E-03 -1.1919747E-03 60 2.3964690E-03 3.7416013E-04 61 5.8647581E-04 1.7387242E-03 62 7.3088040E-05 2.1999917E-03 63 6.9300695E-06 1.9425674E-03 64 8.7212657E-07 1.3850368E-03 65 6.1491459E-07 8.2830462E-04 66 8.6006092E-08 4.0216541E-04 67 1.1467496E-07 1.4003674E-04 68 -3.0417568E-08 2.6351606E-05 69 1.1084238E-08 1.6879851E-06 70 -1.2615181E-08 1.9609004E-09 71 2.8736815E-09 4.5023506E-09 72 -3.1171351E-09 -1.7032708E-09 3D+ 4D+ -9.1330277E+00 -2.9409088E-01 ------------ ------------ *** Large-Component *** 1 1.2936027E-08 -3.4781359E-09 2 -4.6311612E-09 1.7815766E-09 3 5.6402093E-08 -1.6262383E-08 4 7.1764512E-08 -1.5005125E-08 5 3.0204732E-07 -8.5535281E-08 6 7.9091729E-07 -1.9194137E-07 7 2.3888950E-06 -6.4400014E-07 8 7.0215904E-06 -1.7800177E-06 9 2.0723653E-05 -5.4549445E-06 10 6.1307382E-05 -1.5789843E-05 11 1.7927178E-04 -4.6806353E-05 12 5.1980347E-04 -1.3475569E-04 13 1.4800771E-03 -3.8604048E-04 14 4.1060930E-03 -1.0698801E-03 15 1.0779266E-02 -2.8217111E-03 16 2.6011326E-02 -6.8257140E-03 17 5.7132644E-02 -1.5117135E-02 18 1.1176491E-01 -2.9804898E-02 19 1.8254008E-01 -4.8545204E-02 20 2.4279433E-01 -6.2708151E-02 21 2.6185580E-01 -6.4398840E-02 22 2.0775856E-01 -3.5237575E-02 23 1.0812980E-01 4.1195432E-02 24 3.4424691E-02 1.3618725E-01 25 6.1227820E-03 2.0804783E-01 26 9.4707166E-04 2.3791070E-01 27 1.9796425E-04 2.2730524E-01 28 1.7073180E-04 1.8709966E-01 29 4.9667308E-05 1.3079338E-01 30 6.7917570E-05 7.1823390E-02 31 -1.8944027E-06 2.5984351E-02 32 1.5029927E-05 4.5430681E-03 33 -7.7310005E-06 2.3571322E-04 34 4.3834959E-06 -1.1348480E-06 35 -1.8749949E-06 1.5360063E-06 36 4.5479968E-07 -4.4738814E-07 *** Small-Component *** 37 2.5682108E-08 -7.0812171E-09 38 -1.0457344E-09 1.8786933E-09 39 7.9931586E-08 -2.4333708E-08 40 1.1165392E-07 -2.2625112E-08 41 3.2856484E-07 -9.5130743E-08 42 7.4724877E-07 -1.7938991E-07 43 1.7916486E-06 -4.8531437E-07 44 4.2773595E-06 -1.0815128E-06 45 1.0069498E-05 -2.6523909E-06 46 2.3719331E-05 -6.1043636E-06 47 5.4885565E-05 -1.4328528E-05 48 1.2550959E-04 -3.2525303E-05 49 2.8091212E-04 -7.3250387E-05 50 6.1109035E-04 -1.5918006E-04 51 1.2552762E-03 -3.2851663E-04 52 2.3662849E-03 -6.2080014E-04 53 4.0557282E-03 -1.0729038E-03 54 6.1864002E-03 -1.6494404E-03 55 7.8727617E-03 -2.0933661E-03 56 8.1552064E-03 -2.1060101E-03 57 6.8486283E-03 -1.6841085E-03 58 4.2305393E-03 -7.1758563E-04 59 1.7140678E-03 6.5268512E-04 60 4.2479127E-04 1.6800070E-03 61 5.8809517E-05 1.9978859E-03 62 7.0815983E-06 1.7784416E-03 63 1.1512441E-06 1.3226584E-03 64 7.7388483E-07 8.4746451E-04 65 1.7472141E-07 4.6115144E-04 66 1.8668378E-07 1.9712090E-04 67 -4.2450940E-09 5.5512059E-05 68 2.5128474E-08 7.5549825E-06 69 -1.0092941E-08 3.0512306E-07 70 4.4651038E-09 -1.1429386E-09 71 -1.4920535E-09 1.2044356E-09 72 2.8322803E-10 -2.7303981E-10 RADIAL MOMENTS Sym Orb S+ 1 4.00458E+03 4.35520E+01 3.51559E-02 1.66788E-03 9.97801E-05 7.21489E-06 2 4.39392E+02 9.93873E+00 1.53054E-01 2.76838E-02 5.70750E-03 1.32764E-03 3 8.00283E+01 3.40908E+00 4.25962E-01 2.07801E-01 1.12276E-01 6.66799E-02 4 1.27268E+01 1.20931E+00 1.11659E+00 1.41227E+00 1.97484E+00 3.03868E+00 5 8.30370E-01 3.22266E-01 3.91492E+00 1.76912E+01 9.08714E+01 5.26338E+02 P- 1 1.41525E+02 9.87883E+00 1.30838E-01 2.10176E-02 4.01453E-03 8.91680E-04 2 2.55011E+01 3.29965E+00 4.21419E-01 2.06643E-01 1.13611E-01 6.94356E-02 3 3.74405E+00 1.08881E+00 1.22694E+00 1.72629E+00 2.72361E+00 4.80227E+00 P+ 1 1.20744E+02 9.41165E+00 1.35362E-01 2.23699E-02 4.38366E-03 9.97403E-04 2 2.19303E+01 3.19041E+00 4.31412E-01 2.16360E-01 1.21620E-01 7.59766E-02 3 3.24319E+00 1.05851E+00 1.25615E+00 1.80997E+00 2.92618E+00 5.29076E+00 D- 1 1.13660E+01 2.98719E+00 4.12044E-01 2.03756E-01 1.18570E-01 7.99542E-02 2 9.59837E-01 7.05069E-01 1.91729E+00 4.55309E+00 1.31800E+01 4.59686E+01 D+ 1 1.11088E+01 2.95840E+00 4.15444E-01 2.06983E-01 1.21306E-01 8.23614E-02 2 9.29728E-01 6.95555E-01 1.94343E+00 4.68298E+00 1.37679E+01 4.87944E+01 ******************************************************************************************* ******************************************************************************************* Tc [Kr]5s(2)4d(5) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 43.0 Atomic Mass = 98.0 Nuclear Radius = 1.079370E-04 Speed of Light = 137.0359955 S+ P- P+ D- D+ Number of Closed Shells 5 3 3 1 1 Open Shells 0 0 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.02380952 0.0 0.0 0.0 4.0 1.0 0.0 0.0 2 0.23809524 0.0 0.0 0.0 3.0 2.0 0.0 0.0 3 0.47619048 0.0 0.0 0.0 2.0 3.0 0.0 0.0 4 0.23809524 0.0 0.0 0.0 1.0 4.0 0.0 0.0 5 0.02380952 0.0 0.0 0.0 0.0 5.0 0.0 0.0 ENERGIES Total Energy = -4.28411314203355E+03 Mass Energy = -4.28399017952196E+03 Kinetic Energy = 8.73505546364778E+03 Potential Energy = -8.73517842615937E+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+ 5S+ -7.7817975E+02 -1.1387779E+02 -2.1085590E+01 -3.3221298E+00 -2.4543215E-01 ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 -1.1907211E-06 3.9768328E-07 1.6908097E-07 6.7731989E-08 1.7984944E-08 2 5.7601642E-06 -1.9232934E-06 -8.1772255E-07 -3.2756478E-07 -8.6977974E-08 3 -3.8157565E-07 1.2614314E-07 5.2400633E-08 2.1104476E-08 5.6211031E-09 4 1.2176375E-05 -4.0673423E-06 -1.7280839E-06 -6.9238208E-07 -1.8386779E-07 5 6.1236027E-06 -2.0526197E-06 -8.7771354E-07 -3.5116332E-07 -9.3176952E-08 6 2.3988841E-05 -8.0228700E-06 -3.4071300E-06 -1.3653745E-06 -3.6262002E-07 7 2.3949318E-05 -8.0339022E-06 -3.4307968E-06 -1.3731531E-06 -3.6442446E-07 8 5.2511681E-05 -1.7600677E-05 -7.4737362E-06 -2.9955150E-06 -7.9561167E-07 9 7.0428205E-05 -2.3677501E-05 -1.0111498E-05 -4.0475682E-06 -1.0742447E-06 10 1.2862561E-04 -4.3251342E-05 -1.8368498E-05 -7.3633416E-06 -1.9558169E-06 11 1.9880273E-04 -6.7061542E-05 -2.8651787E-05 -1.1470101E-05 -3.0442607E-06 12 3.4766259E-04 -1.1739687E-04 -4.9876590E-05 -1.9997023E-05 -5.3117517E-06 13 5.8188231E-04 -1.9715784E-04 -8.4289009E-05 -3.3746648E-05 -8.9567481E-06 14 1.0284328E-03 -3.4907101E-04 -1.4839872E-04 -5.9506231E-05 -1.5806940E-05 15 1.8154093E-03 -6.1858879E-04 -2.6465235E-04 -1.0597455E-04 -2.8127650E-05 16 3.2943632E-03 -1.1257717E-03 -4.7907418E-04 -1.9213254E-04 -5.1037948E-05 17 6.0275259E-03 -2.0713009E-03 -8.8707266E-04 -3.5530034E-04 -9.4308636E-05 18 1.1164639E-02 -3.8608943E-03 -1.6460289E-03 -6.6030934E-04 -1.7540781E-04 19 2.0708223E-02 -7.2450280E-03 -3.1099482E-03 -1.2462806E-03 -3.3083905E-04 20 3.8153747E-02 -1.3583726E-02 -5.8161125E-03 -2.3347926E-03 -6.2028081E-04 21 6.8687232E-02 -2.5229595E-02 -1.0902875E-02 -4.3750169E-03 -1.1616596E-03 22 1.1783152E-01 -4.5582131E-02 -1.9750551E-02 -7.9458426E-03 -2.1116620E-03 23 1.8478632E-01 -7.8235023E-02 -3.4517260E-02 -1.3903974E-02 -3.6939926E-03 24 2.4640804E-01 -1.2120334E-01 -5.4408730E-02 -2.2038849E-02 -5.8634996E-03 25 2.4684638E-01 -1.5208060E-01 -7.1352999E-02 -2.9058888E-02 -7.7325588E-03 26 1.5179913E-01 -1.0790381E-01 -5.2207218E-02 -2.1523392E-02 -5.7459606E-03 27 4.1679651E-02 8.6589186E-02 5.0160906E-02 2.1353607E-02 5.7333807E-03 28 3.2949528E-03 3.8932930E-01 2.7861704E-01 1.2318747E-01 3.3207232E-02 29 3.1583717E-04 4.5916313E-01 4.3754857E-01 2.0517789E-01 5.5856311E-02 30 -6.4408418E-05 2.0904660E-01 2.0301885E-01 9.6725711E-02 2.6445823E-02 31 -2.7228407E-05 3.1873921E-02 -3.6135727E-01 -2.0545911E-01 -5.7360081E-02 32 -3.2876134E-05 2.3089866E-03 -6.6011993E-01 -5.7996158E-01 -1.7755145E-01 33 5.9781492E-06 3.3780994E-04 -2.9971290E-01 -3.8555115E-01 -1.1998637E-01 34 -2.1770990E-06 -1.7194300E-04 -3.7986740E-02 2.9707039E-01 1.1624854E-01 35 4.7744644E-06 -7.9733037E-06 -2.4269694E-03 6.4627250E-01 2.7072183E-01 36 -1.7754422E-06 -6.6845228E-05 -1.1672218E-03 4.0896802E-01 2.6691771E-01 37 1.6792426E-06 3.1345361E-05 2.7685580E-04 8.2036583E-02 9.8488314E-02 38 -1.1302041E-06 -2.6396975E-05 -3.5212372E-04 8.1319901E-03 -1.4601018E-01 39 7.8870555E-07 1.8553049E-05 2.5217161E-04 -1.6118915E-03 -3.7423185E-01 40 -5.2186423E-07 -1.2645126E-05 -1.7944655E-04 1.4938726E-03 -4.4210525E-01 41 3.1813628E-07 7.8789638E-06 1.1424067E-04 -9.5817349E-04 -2.3867189E-01 42 -1.6655760E-07 -4.2160609E-06 -6.1988649E-05 5.3000402E-04 -3.5052294E-02 43 6.5504598E-08 1.6972759E-06 2.5179855E-05 -2.1808142E-04 -7.2132905E-04 44 -1.4057968E-08 -3.7412787E-07 -5.5838595E-06 4.8788910E-05 5.8366085E-05 *** Small-Component *** 45 -2.5753867E-06 8.5859993E-07 3.6337586E-07 1.4572123E-07 3.8717316E-08 46 2.8775891E-06 -9.5805060E-07 -4.0000355E-07 -1.6096321E-07 -4.2849041E-08 47 1.1864684E-05 -3.9631451E-06 -1.7032737E-06 -6.8042836E-07 -1.8039719E-07 48 1.6707618E-05 -5.5652328E-06 -2.3357783E-06 -9.3867288E-07 -2.4969326E-07 49 3.3790229E-05 -1.1287836E-05 -4.8512839E-06 -1.9380118E-06 -5.1381220E-07 50 4.9612368E-05 -1.6531899E-05 -6.9586586E-06 -2.7944213E-06 -7.4303301E-07 51 8.1086769E-05 -2.7085988E-05 -1.1626354E-05 -4.6460293E-06 -1.2319907E-06 52 1.2207293E-04 -4.0691724E-05 -1.7163170E-05 -6.8887831E-06 -1.8311960E-06 53 1.8841406E-04 -6.2936064E-05 -2.6973953E-05 -1.0783263E-05 -2.8600183E-06 54 2.8469043E-04 -9.4939122E-05 -4.0108726E-05 -1.6092116E-05 -4.2767036E-06 55 4.3246938E-04 -1.4448492E-04 -6.1844833E-05 -2.4731981E-05 -6.5608488E-06 56 6.5291414E-04 -2.1788473E-04 -9.2172903E-05 -3.6969621E-05 -9.8234617E-06 57 9.8659894E-04 -3.2984329E-04 -1.4104433E-04 -5.6421031E-05 -1.4969635E-05 58 1.4867159E-03 -4.9684754E-04 -2.1043722E-04 -8.4385479E-05 -2.2419575E-05 59 2.2385597E-03 -7.4990956E-04 -3.2047545E-04 -1.2823364E-04 -3.4027558E-05 60 3.3602039E-03 -1.1269898E-03 -4.7795523E-04 -1.9163850E-04 -5.0909497E-05 61 5.0267798E-03 -1.6936262E-03 -7.2384837E-04 -2.8973374E-04 -7.6892148E-05 62 7.4682175E-03 -2.5296917E-03 -1.0750113E-03 -4.3107259E-04 -1.1451041E-04 63 1.0977978E-02 -3.7607059E-03 -1.6102294E-03 -6.4489576E-04 -1.7117320E-04 64 1.5829085E-02 -5.5174309E-03 -2.3552484E-03 -9.4504022E-04 -2.5105454E-04 65 2.2097211E-02 -7.9494020E-03 -3.4263627E-03 -1.3741595E-03 -3.6483229E-04 66 2.9155283E-02 -1.1053105E-02 -4.7763376E-03 -1.9206925E-03 -5.1040559E-04 67 3.4951835E-02 -1.4515387E-02 -6.3890179E-03 -2.5723903E-03 -6.8337629E-04 68 3.5455223E-02 -1.7125692E-02 -7.6709155E-03 -3.1060005E-03 -8.2631450E-04 69 2.6919110E-02 -1.6316055E-02 -7.6425978E-03 -3.1115395E-03 -8.2793803E-04 70 1.2508194E-02 -8.7917740E-03 -4.2534695E-03 -1.7535351E-03 -4.6812684E-04 71 2.5901929E-03 5.2133328E-03 3.0054307E-03 1.2784708E-03 3.4323862E-04 72 1.5370810E-04 1.7857312E-02 1.2744701E-02 5.6322839E-03 1.5181618E-03 73 1.1149710E-05 1.5885590E-02 1.5104986E-02 7.0813423E-03 1.9277156E-03 74 -1.8018065E-06 5.4457268E-03 5.2845259E-03 2.5182468E-03 6.8852594E-04 75 -4.6429330E-07 6.2503487E-04 -7.0614327E-03 -4.0125736E-03 -1.1201038E-03 76 -5.3741339E-07 3.3911001E-05 -9.7149930E-03 -8.5314646E-03 -2.6117066E-03 77 1.0369769E-07 3.8271866E-06 -3.3197060E-03 -4.2692475E-03 -1.3286502E-03 78 -4.4550403E-08 -1.4958626E-06 -3.1657032E-04 2.4743612E-03 9.6818442E-04 79 4.9226065E-08 -5.4592544E-09 -1.5230265E-05 4.0509209E-03 1.6968197E-03 80 -2.2284269E-08 -3.4795581E-07 -5.4985743E-06 1.9289677E-03 1.2588749E-03 81 1.6026316E-08 1.3472896E-07 9.7776168E-07 2.9112716E-04 3.4951146E-04 82 -1.0228698E-08 -8.7265155E-08 -9.3709721E-07 2.1729958E-05 -3.8986929E-04 83 6.6617533E-09 4.9033176E-08 5.0446458E-07 -3.2488796E-06 -7.5190324E-04 84 -4.2528322E-09 -2.7069043E-08 -2.6979352E-07 2.2653670E-06 -6.6837129E-04 85 2.5702048E-09 1.3988737E-08 1.2899901E-07 -1.0943167E-06 -2.7150074E-04 86 -1.3687982E-09 -6.3969053E-09 -5.2521379E-08 4.5605375E-07 -3.0001672E-05 87 5.7073490E-10 2.2919619E-09 1.5983736E-08 -1.4148381E-07 -4.6491885E-07 88 -1.3735734E-10 -4.7423510E-10 -2.6488359E-09 2.3894176E-08 2.8370925E-08 2P- 3P- 4P- -1.0464677E+02 -1.7483692E+01 -2.1611979E+00 ------------ ------------ ------------ *** Large-Component *** 1 -9.2932403E-08 4.0723078E-08 -1.5273698E-08 2 6.8161180E-08 -2.9844501E-08 1.1224064E-08 3 6.3356100E-07 -2.7775566E-07 1.0402608E-07 4 6.1110350E-07 -2.6770368E-07 1.0050904E-07 5 1.7097872E-06 -7.4962694E-07 2.8070656E-07 6 2.0778220E-06 -9.1029877E-07 3.4168359E-07 7 3.9536019E-06 -1.7335286E-06 6.4901447E-07 8 5.4860830E-06 -2.4034504E-06 9.0221003E-07 9 9.1134421E-06 -3.9964435E-06 1.4958152E-06 10 1.3426064E-05 -5.8816665E-06 2.2085116E-06 11 2.1299994E-05 -9.3425032E-06 3.4953046E-06 12 3.2349591E-05 -1.4170939E-05 5.3238282E-06 13 5.0940051E-05 -2.2351844E-05 8.3574268E-06 14 7.9454286E-05 -3.4807634E-05 1.3086903E-05 15 1.2768086E-04 -5.6067057E-05 2.0948242E-05 16 2.0818757E-04 -9.1250554E-05 3.4341283E-05 17 3.5456114E-04 -1.5592658E-04 5.8227285E-05 18 6.2943983E-04 -2.7637475E-04 1.0409684E-04 19 1.1927583E-03 -5.2608710E-04 1.9653265E-04 20 2.3959144E-03 -1.0567058E-03 3.9814620E-04 21 5.1207096E-03 -2.2729810E-03 8.5076932E-04 22 1.1339499E-02 -5.0553698E-03 1.9061544E-03 23 2.5532437E-02 -1.1527514E-02 4.3320050E-03 24 5.6167235E-02 -2.5792128E-02 9.7652573E-03 25 1.1544788E-01 -5.4649571E-02 2.0718804E-02 26 2.0592017E-01 -1.0117115E-01 3.8755577E-02 27 2.9407962E-01 -1.5188598E-01 5.8546767E-02 28 2.8521303E-01 -1.3908323E-01 5.3165885E-02 29 1.5073448E-01 3.1751555E-02 -2.4588476E-02 30 3.4605865E-02 2.9836463E-01 -1.4988523E-01 31 3.0470364E-03 4.4565714E-01 -2.5404891E-01 32 3.9930065E-04 2.8152945E-01 -1.5184229E-01 33 -2.1416116E-05 6.4526931E-02 1.9263973E-01 34 -1.5901866E-05 6.5376557E-03 4.3341314E-01 35 -1.7936051E-05 -1.5030824E-04 3.8299862E-01 36 -9.3992265E-07 7.0665454E-04 1.6250434E-01 37 -3.2025739E-06 -4.5336131E-04 3.2293306E-02 38 1.2164218E-06 3.3783769E-04 3.5392100E-03 39 -8.9640583E-07 -2.5004909E-04 1.2918202E-03 40 6.1656204E-07 1.6897714E-04 -2.0525619E-04 41 -3.7727734E-07 -1.0866674E-04 2.2236519E-04 42 2.0823461E-07 6.1016334E-05 -1.2408121E-04 43 -9.0028061E-08 -2.6584785E-05 5.4954105E-05 44 2.2566078E-08 6.5872627E-06 -1.3739413E-05 *** Small-Component *** 45 -1.4803430E-08 6.3169827E-09 -2.5687741E-09 46 3.8555065E-08 -1.6262058E-08 6.8401565E-09 47 8.2371778E-08 -3.7501399E-08 1.2430329E-08 48 1.6677736E-07 -7.0681011E-08 2.9332590E-08 49 3.0321402E-07 -1.3673225E-07 4.6813788E-08 50 4.8275573E-07 -2.0602515E-07 8.3813225E-08 51 8.1625610E-07 -3.6604550E-07 1.2772236E-07 52 1.2536901E-06 -5.3824597E-07 2.1528359E-07 53 2.0736519E-06 -9.2588435E-07 3.2801552E-07 54 3.2158966E-06 -1.3879042E-06 5.4719253E-07 55 5.3388333E-06 -2.3751723E-06 8.5272965E-07 56 8.5179368E-06 -3.6938738E-06 1.4379927E-06 57 1.4422200E-05 -6.3970407E-06 2.3241979E-06 58 2.3937947E-05 -1.0427581E-05 4.0147041E-06 59 4.1777310E-05 -1.8488914E-05 6.7870175E-06 60 7.2511354E-05 -3.1716227E-05 1.2101393E-05 61 1.3094331E-04 -5.7881101E-05 2.1422079E-05 62 2.3686020E-04 -1.0400648E-04 3.9426219E-05 63 4.4002635E-04 -1.9462435E-04 7.2461968E-05 64 8.1731502E-04 -3.6068889E-04 1.3620420E-04 65 1.5310839E-03 -6.8039904E-04 2.5444185E-04 66 2.8253286E-03 -1.2600445E-03 4.7538705E-04 67 5.1055484E-03 -2.3059782E-03 8.6641775E-04 68 8.7727678E-03 -4.0294763E-03 1.5258515E-03 69 1.3844568E-02 -6.5564971E-03 2.4857253E-03 70 1.8753434E-02 -9.2205118E-03 3.5325918E-03 71 2.0203740E-02 -1.0447982E-02 4.0280164E-03 72 1.4704436E-02 -7.1905411E-03 2.7502868E-03 73 5.7838841E-03 1.2466370E-03 -9.5850153E-04 74 9.4728328E-04 8.7026655E-03 -4.3689886E-03 75 2.5136019E-05 9.7329586E-03 -5.5459856E-03 76 -2.0418579E-05 4.6048292E-03 -2.4837549E-03 77 -1.7649477E-05 7.9108177E-04 2.3552450E-03 78 -1.1510519E-05 6.0754377E-05 3.9693866E-03 79 -7.3443568E-06 -5.3949326E-07 2.6262460E-03 80 -4.8788229E-06 3.9930316E-06 8.3399931E-04 81 -2.8967463E-06 -1.5490473E-06 1.2386589E-04 82 -2.2434578E-06 1.1406075E-06 9.9571849E-06 83 -9.3785396E-07 -4.7766569E-07 2.6900609E-06 84 -1.3054239E-06 3.6940151E-07 -4.6463584E-07 85 6.1697850E-08 -1.3801561E-07 2.7544326E-07 86 -1.0554734E-06 1.3173353E-07 -2.1968862E-07 87 4.6414683E-07 -5.1683196E-08 8.4473921E-08 88 -6.1028883E-07 4.6993429E-08 -6.8960512E-08 2P+ 3P+ 4P+ -1.0027470E+02 -1.6725942E+01 -2.0466451E+00 ------------ ------------ ------------ *** Large-Component *** 1 2.0932736E-08 -9.1894202E-09 3.4242196E-09 2 -2.7466691E-08 1.1939580E-08 -4.4106420E-09 3 6.9324688E-08 -3.0141025E-08 1.1135187E-08 4 -2.9432730E-08 1.2109478E-08 -4.2488246E-09 5 1.3690174E-07 -5.8812473E-08 2.1488883E-08 6 6.7233784E-08 -3.2419995E-08 1.3017459E-08 7 3.6087610E-07 -1.5459557E-07 5.6316602E-08 8 5.2977804E-07 -2.4183102E-07 9.3052582E-08 9 1.3716112E-06 -5.9222688E-07 2.1718931E-07 10 2.7231641E-06 -1.2259009E-06 4.6616245E-07 11 6.3107849E-06 -2.7491952E-06 1.0158504E-06 12 1.3815468E-05 -6.1745684E-06 2.3326063E-06 13 3.1955841E-05 -1.4014002E-05 5.2061653E-06 14 7.3092368E-05 -3.2541438E-05 1.2245086E-05 15 1.7155628E-04 -7.5602586E-05 2.8182771E-05 16 4.0157834E-04 -1.7859711E-04 6.7061813E-05 17 9.5026241E-04 -4.2077774E-04 1.5721716E-04 18 2.2339033E-03 -9.9618296E-04 3.7382203E-04 19 5.2256221E-03 -2.3327016E-03 8.7347620E-04 20 1.1972140E-02 -5.3958591E-03 2.0273194E-03 21 2.6661417E-02 -1.2137922E-02 4.5621185E-03 22 5.6399895E-02 -2.6214837E-02 9.8987458E-03 23 1.0980429E-01 -5.2430827E-02 1.9872170E-02 24 1.8707518E-01 -9.2717188E-02 3.5408109E-02 25 2.6344122E-01 -1.3661718E-01 5.2612106E-02 26 2.7194282E-01 -1.4020884E-01 5.3951512E-02 27 1.7557847E-01 -2.9017038E-02 4.4355414E-03 28 6.0852221E-02 1.7997550E-01 -9.1449680E-02 29 9.3897214E-03 3.7314974E-01 -1.9625051E-01 30 1.0698143E-03 3.6928870E-01 -2.2616338E-01 31 8.3702663E-05 1.7204597E-01 -4.0037465E-02 32 1.6543056E-05 3.5962071E-02 2.4571188E-01 33 -5.2949217E-05 3.0831934E-03 4.0054601E-01 34 1.1807236E-05 8.9403453E-04 3.3596608E-01 35 -2.1164963E-05 -1.8245706E-04 1.5766552E-01 36 1.1681634E-05 2.3542508E-04 3.9335617E-02 37 -9.8458398E-06 -1.7525680E-04 6.1959954E-03 38 7.0554959E-06 1.2309884E-04 1.4602147E-03 39 -5.0009982E-06 -9.3679258E-05 2.2736861E-04 40 3.4198603E-06 6.3127066E-05 7.1613315E-05 41 -2.1412678E-06 -3.9959233E-05 -2.3711171E-05 42 1.1565194E-06 2.1707185E-05 1.3626375E-05 43 -4.7357403E-07 -8.9462989E-06 -5.6849654E-06 44 1.0790732E-07 2.0517378E-06 1.3209120E-06 *** Small-Component *** 45 5.7573353E-08 -2.4858665E-08 9.1291965E-09 46 -3.9786429E-08 1.5463269E-08 -5.1098426E-09 47 1.4014183E-07 -5.7010324E-08 1.9775987E-08 48 3.0950379E-08 -2.2152269E-08 1.1050164E-08 49 2.8680981E-07 -1.1305137E-07 3.7939467E-08 50 3.3748411E-07 -1.6837127E-07 6.9345765E-08 51 8.4058292E-07 -3.4281944E-07 1.1921993E-07 52 1.4098184E-06 -6.5982447E-07 2.5925323E-07 53 2.8966218E-06 -1.2243783E-06 4.4088466E-07 54 5.2893430E-06 -2.4032991E-06 9.2213024E-07 55 1.0375106E-05 -4.4772872E-06 1.6431545E-06 56 1.9414614E-05 -8.6922399E-06 3.2939550E-06 57 3.7459438E-05 -1.6343750E-05 6.0557631E-06 58 7.0654499E-05 -3.1413941E-05 1.1829505E-05 59 1.3503005E-04 -5.9287125E-05 2.2074739E-05 60 2.5452889E-04 -1.1291727E-04 4.2394568E-05 61 4.8080487E-04 -2.1221837E-04 7.9236142E-05 62 8.9516478E-04 -3.9806860E-04 1.4931967E-04 63 1.6482981E-03 -7.3362152E-04 2.7455430E-04 64 2.9568335E-03 -1.3289815E-03 4.9910393E-04 65 5.1347100E-03 -2.3313259E-03 8.7583946E-04 66 8.4415134E-03 -3.9137887E-03 1.4772469E-03 67 1.2738118E-02 -6.0683276E-03 2.2991297E-03 68 1.6784021E-02 -8.3014407E-03 3.1692480E-03 69 1.8254077E-02 -9.4493639E-03 3.6380292E-03 70 1.4539122E-02 -7.4866618E-03 2.8805608E-03 71 7.2364311E-03 -1.2013918E-03 1.8645810E-04 72 1.9322929E-03 5.6962491E-03 -2.8935410E-03 73 2.2963153E-04 9.1042295E-03 -4.7866635E-03 74 2.0130225E-05 6.9418476E-03 -4.2502404E-03 75 1.2122848E-06 2.4910956E-03 -5.8005585E-04 76 1.8422010E-07 4.0105355E-04 2.7387682E-03 77 -4.5496053E-07 2.6467042E-05 3.4387743E-03 78 7.8095515E-08 5.9214994E-06 2.2214656E-03 79 -1.0779974E-07 -9.3598802E-07 8.0290451E-04 80 4.5790124E-08 9.2832488E-07 1.5427468E-04 81 -2.9703630E-08 -5.3299508E-07 1.8714748E-05 82 1.6382251E-08 2.8895419E-07 3.3971255E-06 83 -8.9432881E-09 -1.6966366E-07 4.0714796E-07 84 4.7178178E-09 8.8349992E-08 9.8943202E-08 85 -2.2813772E-09 -4.3258168E-08 -2.5277922E-08 86 9.5007220E-10 1.8208627E-08 1.1196819E-08 87 -2.9851655E-10 -5.8297570E-09 -3.6030272E-09 88 5.2466223E-11 1.0433948E-09 6.4609749E-10 3D- 4D- -1.0398196E+01 -4.5973838E-01 ------------ ------------ *** Large-Component *** 1 5.8721393E-08 -1.7045159E-08 2 -5.3614123E-08 1.5399222E-08 3 1.6808110E-07 -4.8386042E-08 4 -5.1400318E-09 3.1922605E-10 5 3.6023022E-07 -1.0255790E-07 6 3.6374646E-07 -1.1028018E-07 7 1.1281316E-06 -3.2035835E-07 8 2.1074528E-06 -6.2854896E-07 9 5.0954046E-06 -1.4565774E-06 10 1.1993365E-05 -3.5431905E-06 11 3.0753080E-05 -8.8679727E-06 12 8.3159637E-05 -2.4404011E-05 13 2.3460441E-04 -6.8103891E-05 14 6.8319153E-04 -1.9997414E-04 15 2.0056003E-03 -5.8523673E-04 16 5.8094664E-03 -1.7042689E-03 17 1.5855926E-02 -4.6581173E-03 18 3.9363880E-02 -1.1641978E-02 19 8.7648537E-02 -2.6151131E-02 20 1.6530960E-01 -4.9626336E-02 21 2.4592807E-01 -7.2220613E-02 22 2.8730805E-01 -8.0612059E-02 23 2.4040193E-01 -5.0821029E-02 24 1.2313104E-01 4.8010038E-02 25 3.5157866E-02 1.7491946E-01 26 4.9304234E-03 2.6164320E-01 27 7.8092467E-04 2.7889204E-01 28 1.2715339E-04 2.3152919E-01 29 1.8464003E-04 1.5021670E-01 30 -1.8094557E-06 7.0810128E-02 31 5.2977633E-05 1.9753398E-02 32 -2.5325142E-05 2.1484277E-03 33 1.7455264E-05 7.4935019E-05 34 -9.9438342E-06 -1.4403534E-05 35 4.4441882E-06 6.8884717E-06 36 -1.1482336E-06 -1.8114028E-06 *** Small-Component *** 37 7.1795920E-09 -1.7931777E-09 38 8.0485493E-10 -1.3047313E-09 39 1.7172257E-08 -2.6970680E-09 40 2.7196596E-08 -1.1902178E-08 41 6.2312250E-08 -1.1946764E-08 42 1.5122293E-07 -5.3193861E-08 43 3.2582676E-07 -8.1726285E-08 44 8.0669301E-07 -2.5363806E-07 45 1.8566670E-06 -5.1447086E-07 46 4.5667631E-06 -1.3673996E-06 47 1.0937437E-05 -3.1349290E-06 48 2.6772989E-05 -7.8763787E-06 49 6.4492472E-05 -1.8704916E-05 50 1.5470450E-04 -4.5299311E-05 51 3.6329442E-04 -1.0599716E-04 52 8.2664083E-04 -2.4251525E-04 53 1.7512856E-03 -5.1448470E-04 54 3.3494652E-03 -9.9062539E-04 55 5.7184275E-03 -1.7062055E-03 56 8.2478055E-03 -2.4762327E-03 57 9.3690067E-03 -2.7517370E-03 58 8.3500733E-03 -2.3432076E-03 59 5.3268896E-03 -1.1264980E-03 60 2.0787195E-03 8.1131838E-04 61 4.5140951E-04 2.2532156E-03 62 4.7577718E-05 2.5687969E-03 63 5.4185441E-06 2.0868566E-03 64 5.0752977E-07 1.3203445E-03 65 6.9387440E-07 6.5286016E-04 66 -6.2892277E-08 2.3453403E-04 67 1.0697958E-07 4.9858145E-05 68 -6.4835990E-08 4.1282666E-06 69 2.0549560E-08 1.0845716E-07 70 -1.7343869E-08 -1.8059603E-08 71 4.4538209E-09 6.1013134E-09 72 -3.4889622E-09 -2.0190252E-09 3D+ 4D+ -1.0254384E+01 -4.4927300E-01 ------------ ------------ *** Large-Component *** 1 1.4836952E-08 -4.4669549E-09 2 -4.7548547E-09 2.1810186E-09 3 6.3273200E-08 -2.0584077E-08 4 8.6498229E-08 -2.0055804E-08 5 3.3911520E-07 -1.0815086E-07 6 9.2247432E-07 -2.4888394E-07 7 2.7105890E-06 -8.1866602E-07 8 8.0854214E-06 -2.2845190E-06 9 2.3604181E-05 -6.9458152E-06 10 7.0128091E-05 -2.0154492E-05 11 2.0402853E-04 -5.9511595E-05 12 5.9176532E-04 -1.7128630E-04 13 1.6791809E-03 -4.8927578E-04 14 4.6432349E-03 -1.3514918E-03 15 1.2096099E-02 -3.5386704E-03 16 2.8945929E-02 -8.4920516E-03 17 6.2979186E-02 -1.8649318E-02 18 1.2122502E-01 -3.6171477E-02 19 1.9321784E-01 -5.7326298E-02 20 2.5098522E-01 -7.2049281E-02 21 2.6084410E-01 -7.0333222E-02 22 1.9330596E-01 -2.6899735E-02 23 9.1802033E-02 6.8797726E-02 24 2.5968514E-02 1.7353011E-01 25 4.0525247E-03 2.4252932E-01 26 6.9241121E-04 2.5696280E-01 27 1.8199196E-04 2.2066068E-01 28 1.5389803E-04 1.5410140E-01 29 3.7081979E-05 8.3943624E-02 30 4.2028766E-05 3.1095749E-02 31 -9.4072299E-06 6.0501497E-03 32 9.8900666E-06 3.8834460E-04 33 -6.1346279E-06 1.4303918E-05 34 3.4127240E-06 -4.8617187E-06 35 -1.4587716E-06 2.0635315E-06 36 3.5360142E-07 -5.0363564E-07 *** Small-Component *** 37 2.8920912E-08 -8.9559831E-09 38 6.3813966E-10 2.0387833E-09 39 8.7349319E-08 -3.0276819E-08 40 1.3498091E-07 -3.0325737E-08 41 3.6443809E-07 -1.1924272E-07 42 8.7091342E-07 -2.3224875E-07 43 2.0241026E-06 -6.1465533E-07 44 4.9183000E-06 -1.3856588E-06 45 1.1448334E-05 -3.3714895E-06 46 2.7106271E-05 -7.7836620E-06 47 6.2416301E-05 -1.8203508E-05 48 1.4282165E-04 -4.1322245E-05 49 3.1861061E-04 -9.2810190E-05 50 6.9093325E-04 -2.0104421E-04 51 1.4085161E-03 -4.1194586E-04 52 2.6331787E-03 -7.7231243E-04 53 4.4708642E-03 -1.3235922E-03 54 6.7102896E-03 -2.0018122E-03 55 8.3334612E-03 -2.4720415E-03 56 8.4305123E-03 -2.4197453E-03 57 6.8224155E-03 -1.8393707E-03 58 3.9363845E-03 -5.4792759E-04 59 1.4552828E-03 1.0900903E-03 60 3.2045315E-04 2.1406852E-03 61 3.8924613E-05 2.3290229E-03 62 5.1776290E-06 1.9208695E-03 63 1.0582637E-06 1.2840009E-03 64 6.9763494E-07 6.9800257E-04 65 1.3034847E-07 2.9596992E-04 66 1.1563084E-07 8.5343277E-05 67 -2.0294658E-08 1.2925428E-05 68 1.6580696E-08 6.4577669E-07 69 -8.0262687E-09 1.8535888E-08 70 3.4867691E-09 -4.9101722E-09 71 -1.1654702E-09 1.6236776E-09 72 2.2139517E-10 -3.0885287E-10 RADIAL MOMENTS Sym Orb S+ 1 4.23119E+03 4.47106E+01 3.42718E-02 1.58560E-03 9.25199E-05 6.52557E-06 2 4.67332E+02 1.02280E+01 1.48946E-01 2.62211E-02 5.26088E-03 1.19070E-03 3 8.61869E+01 3.52705E+00 4.12548E-01 1.94875E-01 1.01893E-01 5.85217E-02 4 1.43054E+01 1.27388E+00 1.06369E+00 1.27982E+00 1.69818E+00 2.47171E+00 5 1.08526E+00 3.59252E-01 3.53082E+00 1.43734E+01 6.64565E+01 3.46633E+02 P- 1 1.50440E+02 1.01687E+01 1.27184E-01 1.98621E-02 3.68800E-03 7.96174E-04 2 2.74806E+01 3.41867E+00 4.07217E-01 1.92884E-01 1.02356E-01 6.03254E-02 3 4.23680E+00 1.15384E+00 1.16100E+00 1.54281E+00 2.29192E+00 3.79225E+00 P+ 1 1.27274E+02 9.66354E+00 1.31808E-01 2.12061E-02 4.04471E-03 8.95489E-04 2 2.34447E+01 3.30011E+00 4.17289E-01 2.02344E-01 1.09881E-01 6.62525E-02 3 3.64321E+00 1.12061E+00 1.18932E+00 1.61939E+00 2.46638E+00 4.18697E+00 D- 1 1.22347E+01 3.10231E+00 3.95932E-01 1.87750E-01 1.04570E-01 6.73663E-02 2 1.22490E+00 8.01660E-01 1.66361E+00 3.35006E+00 8.02862E+00 2.27324E+01 D+ 1 1.19450E+01 3.07111E+00 3.99323E-01 1.90830E-01 1.07064E-01 6.94608E-02 2 1.18886E+00 7.91912E-01 1.68315E+00 3.43120E+00 8.32958E+00 2.39002E+01 ******************************************************************************************* ******************************************************************************************* Ru [Kr]5s(1)4d(7) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 44.0 Atomic Mass = 102.0 Nuclear Radius = 1.091993E-04 Speed of Light = 137.0359955 S+ P- P+ D- D+ Number of Closed Shells 4 3 3 1 1 Open Shells 1 0 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.16666667 1.0 0.0 0.0 4.0 3.0 0.0 0.0 2 0.50000000 1.0 0.0 0.0 3.0 4.0 0.0 0.0 3 0.30000000 1.0 0.0 0.0 2.0 5.0 0.0 0.0 4 0.03333333 1.0 0.0 0.0 1.0 6.0 0.0 0.0 ENERGIES Total Energy = -4.52926943814057E+03 Mass Energy = -4.52912799721574E+03 Kinetic Energy = 9.24323053990812E+03 Potential Energy = -9.24337198083296E+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+ 5S+ -8.1770219E+02 -1.2047924E+02 -2.2481524E+01 -3.4528567E+00 -2.2320400E-01 ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 -1.3155544E-06 4.4114143E-07 1.8868705E-07 7.6174424E-08 -1.8026228E-08 2 6.1070436E-06 -2.0472969E-06 -8.7566413E-07 -3.5351131E-07 8.3656034E-08 3 -1.2505583E-07 4.0755150E-08 1.5934954E-08 6.3395586E-09 -1.4998728E-09 4 1.2911259E-05 -4.3305653E-06 -1.8507959E-06 -7.4709074E-07 1.7679338E-07 5 7.1241828E-06 -2.3962368E-06 -1.0309295E-06 -4.1657127E-07 9.8581120E-08 6 2.5746188E-05 -8.6470408E-06 -3.6937972E-06 -1.4909344E-06 3.5281981E-07 7 2.6575515E-05 -8.9481800E-06 -3.8452236E-06 -1.5534840E-06 3.6763035E-07 8 5.6776624E-05 -1.9112932E-05 -8.1636006E-06 -3.2950642E-06 7.7976200E-07 9 7.7021119E-05 -2.5994420E-05 -1.1171047E-05 -4.5132419E-06 1.0680610E-06 10 1.3923939E-04 -4.7030425E-05 -2.0090989E-05 -8.1096155E-06 1.9191320E-06 11 2.1572614E-04 -7.3063833E-05 -3.1414630E-05 -1.2693095E-05 3.0038605E-06 12 3.7536961E-04 -1.2734570E-04 -5.4422394E-05 -2.1969038E-05 5.1990602E-06 13 6.2761103E-04 -2.1355519E-04 -9.1883920E-05 -3.7130530E-05 8.7871833E-06 14 1.1055382E-03 -3.7709188E-04 -1.6126025E-04 -6.5105163E-05 1.5407755E-05 15 1.9473125E-03 -6.6654984E-04 -2.8701350E-04 -1.1600010E-04 2.7452815E-05 16 3.5238471E-03 -1.2105391E-03 -5.1822283E-04 -2.0926160E-04 4.9525133E-05 17 6.4314164E-03 -2.2211394E-03 -9.5745203E-04 -3.8704723E-04 9.1602694E-05 18 1.1879884E-02 -4.1322474E-03 -1.7724104E-03 -7.1596635E-04 1.6945337E-04 19 2.1969153E-02 -7.7313907E-03 -3.3408203E-03 -1.3511459E-03 3.1980123E-04 20 4.0327130E-02 -1.4460602E-02 -6.2305824E-03 -2.5189737E-03 5.9625915E-04 21 7.2238595E-02 -2.6749217E-02 -1.1640823E-02 -4.7142976E-03 1.1160577E-03 22 1.2301371E-01 -4.8104804E-02 -2.0988057E-02 -8.5053587E-03 2.0140035E-03 23 1.9068425E-01 -8.1885557E-02 -3.6423147E-02 -1.4811887E-02 3.5087748E-03 24 2.4939332E-01 -1.2517679E-01 -5.6679801E-02 -2.3132030E-02 5.4834676E-03 25 2.4185494E-01 -1.5236000E-01 -7.2266099E-02 -2.9750894E-02 7.0607166E-03 26 1.4096046E-01 -9.7466105E-02 -4.7411509E-02 -1.9635589E-02 4.6658619E-03 27 3.5401660E-02 1.1297580E-01 6.6620231E-02 2.8493497E-02 -6.8045429E-03 28 2.5337345E-03 4.1191478E-01 3.0524744E-01 1.3741418E-01 -3.3067985E-02 29 2.2647685E-04 4.4491357E-01 4.3788834E-01 2.0771424E-01 -5.0370957E-02 30 -3.8367661E-05 1.8453369E-01 1.6041307E-01 7.8675517E-02 -1.9328291E-02 31 -5.2263440E-05 2.4935298E-02 -4.2583213E-01 -2.5666495E-01 6.4675776E-02 32 -9.0958716E-06 1.8461932E-03 -6.5177423E-01 -6.1681747E-01 1.6918007E-01 33 -8.3728547E-06 2.0490873E-04 -2.4974334E-01 -3.0513375E-01 8.2100635E-02 34 9.4857978E-06 -1.7031687E-04 -2.9069104E-02 3.8511304E-01 -1.3351896E-01 35 -4.1145990E-06 -4.2784233E-06 -5.6514646E-04 6.3000715E-01 -2.3610835E-01 36 4.6067475E-06 -6.3807110E-05 -2.2523514E-03 3.5490220E-01 -2.0143645E-01 37 -3.0823317E-06 3.2233618E-05 1.1863406E-03 6.9158923E-02 -8.3917314E-02 38 2.3016715E-06 -2.6946531E-05 -1.0314004E-03 6.7517427E-03 8.5606856E-02 39 -1.6336885E-06 1.9159046E-05 7.4434107E-04 -4.7753238E-04 3.0740216E-01 40 1.0977947E-06 -1.2906442E-05 -5.1224497E-04 1.0911742E-03 4.4398529E-01 41 -6.8935352E-07 8.2393482E-06 3.2742992E-04 -4.0572814E-04 2.9716945E-01 42 3.6570919E-07 -4.3497030E-06 -1.7499015E-04 3.3183088E-04 6.0599959E-02 43 -1.4712746E-07 1.7611073E-06 7.1062125E-05 -1.2433800E-04 1.4749584E-03 44 3.2300973E-08 -3.8830634E-07 -1.5728902E-05 2.8102833E-05 1.3690447E-05 *** Small-Component *** 45 -2.5851148E-06 8.6563747E-07 3.6827414E-07 1.4855189E-07 -3.5153676E-08 46 2.3603438E-06 -7.9023251E-07 -3.2931984E-07 -1.3241124E-07 3.1334449E-08 47 1.3170975E-05 -4.4125960E-06 -1.9089475E-06 -7.7198875E-07 1.8268405E-07 48 1.7315304E-05 -5.7974416E-06 -2.4438966E-06 -9.8439888E-07 2.3295211E-07 49 3.6545449E-05 -1.2244821E-05 -5.2988022E-06 -2.1429598E-06 5.0711134E-07 50 5.2812837E-05 -1.7684836E-05 -7.4816035E-06 -3.0152532E-06 7.1354062E-07 51 8.7072984E-05 -2.9176492E-05 -1.2609502E-05 -5.0985842E-06 1.2065337E-06 52 1.3054570E-04 -4.3722177E-05 -1.8539018E-05 -7.4742879E-06 1.7687416E-06 53 2.0180660E-04 -6.7630541E-05 -2.9181379E-05 -1.1796451E-05 2.7915277E-06 54 3.0448035E-04 -1.0200652E-04 -4.3328965E-05 -1.7473521E-05 4.1349940E-06 55 4.6245926E-04 -1.5503323E-04 -6.6800115E-05 -2.6997949E-05 6.3888472E-06 56 6.9755752E-04 -2.3383529E-04 -9.9469981E-05 -4.0122954E-05 9.4948475E-06 57 1.0533910E-03 -3.5343106E-04 -1.5212018E-04 -6.1471073E-05 1.4546691E-05 58 1.5860006E-03 -5.3241152E-04 -2.2677463E-04 -9.1492465E-05 2.1651240E-05 59 2.3859941E-03 -8.0230683E-04 -3.4509205E-04 -1.3943767E-04 3.2997239E-05 60 3.5778424E-03 -1.2055003E-03 -5.1419087E-04 -2.0749944E-04 4.9104442E-05 61 5.3459590E-03 -1.8085685E-03 -7.7797806E-04 -3.1436338E-04 7.4394457E-05 62 7.9303277E-03 -2.6996686E-03 -1.1539907E-03 -4.6586568E-04 1.1025101E-04 63 1.1633453E-02 -4.0049400E-03 -1.7260515E-03 -6.9772385E-04 1.6512923E-04 64 1.6724964E-02 -5.8663076E-03 -2.5195436E-03 -1.0180340E-03 2.4095580E-04 65 2.3244470E-02 -8.4222112E-03 -3.6552555E-03 -1.4795416E-03 3.5023595E-04 66 3.0455764E-02 -1.1661720E-02 -5.0735637E-03 -2.0549739E-03 4.8656450E-04 67 3.6098562E-02 -1.5193034E-02 -6.7412670E-03 -2.7401429E-03 6.4906263E-04 68 3.5921521E-02 -1.7692039E-02 -7.9925946E-03 -3.2605573E-03 7.7287003E-04 69 2.6403282E-02 -1.6354637E-02 -7.7443969E-03 -3.1872806E-03 7.5639408E-04 70 1.1627680E-02 -7.9558874E-03 -3.8715572E-03 -1.6035603E-03 3.8104861E-04 71 2.2024092E-03 6.8200000E-03 4.0032636E-03 1.7107821E-03 -4.0850536E-04 72 1.1818657E-04 1.8899583E-02 1.3966386E-02 6.2843058E-03 -1.5121748E-03 73 8.0287613E-06 1.5395921E-02 1.5119081E-02 7.1700523E-03 -1.7386937E-03 74 -1.1130868E-06 4.8079276E-03 4.1783998E-03 2.0500045E-03 -5.0363132E-04 75 -9.6110396E-07 4.8909850E-04 -8.3225393E-03 -5.0133117E-03 1.2631472E-03 76 -1.8320095E-07 2.7069860E-05 -9.5928878E-03 -9.0740980E-03 2.4887047E-03 77 -5.6966435E-08 2.3677689E-06 -2.7663084E-03 -3.3791262E-03 9.0926333E-04 78 5.3259799E-08 -1.4921449E-06 -2.4229841E-04 3.2078597E-03 -1.1120873E-03 79 -6.5839384E-09 2.4786847E-08 -3.5229496E-06 3.9490155E-03 -1.4798856E-03 80 7.6812783E-09 -3.3871303E-07 -1.0642251E-05 1.6739643E-03 -9.5004717E-04 81 -6.8942092E-10 1.4153350E-07 4.2235094E-06 2.4542742E-04 -2.9780045E-04 82 -1.2379689E-09 -9.1329049E-08 -2.7636527E-06 1.8042245E-05 2.2858040E-04 83 1.9329886E-09 5.2058163E-08 1.5020788E-06 -9.6830678E-07 6.1762901E-04 84 -1.8908929E-09 -2.8672436E-08 -7.7873706E-07 1.6556513E-06 6.7121321E-04 85 1.4753192E-09 1.5150644E-08 3.7513115E-07 -4.6535368E-07 3.3804374E-04 86 -9.5268467E-10 -6.9229066E-09 -1.5122474E-07 2.8616857E-07 5.1868894E-05 87 4.5694160E-10 2.5061216E-09 4.6374708E-08 -8.1016232E-08 9.5023070E-07 88 -1.2121917E-10 -5.2192035E-10 -7.7680672E-09 1.3852909E-08 6.5644941E-09 2P- 3P- 4P- -1.1094739E+02 -1.8731884E+01 -2.2435736E+00 ------------ ------------ ------------ *** Large-Component *** 1 -9.3576201E-08 4.1316597E-08 -1.5657550E-08 2 3.8342316E-08 -1.6865004E-08 6.4213410E-09 3 7.2954697E-07 -3.2243440E-07 1.2204916E-07 4 6.3378202E-07 -2.7963644E-07 1.0606362E-07 5 1.9225385E-06 -8.4981077E-07 3.2162812E-07 6 2.2567690E-06 -9.9595872E-07 3.7765476E-07 7 4.3990667E-06 -1.9447993E-06 7.3593496E-07 8 6.0219716E-06 -2.6575738E-06 1.0077597E-06 9 1.0087184E-05 -4.4604731E-06 1.6875378E-06 10 1.4778138E-05 -6.5208739E-06 2.4732831E-06 11 2.3508440E-05 -1.0399065E-05 3.9330310E-06 12 3.5619864E-05 -1.5713939E-05 5.9625171E-06 13 5.6121672E-05 -2.4841133E-05 9.3908645E-06 14 8.7448768E-05 -3.8572042E-05 1.4644864E-05 15 1.4048596E-04 -6.2249617E-05 2.3519812E-05 16 2.2895844E-04 -1.0101661E-04 3.8383917E-05 17 3.8960652E-04 -1.7294982E-04 6.5322506E-05 18 6.9124821E-04 -3.0549405E-04 1.1616669E-04 19 1.3077585E-03 -5.8234972E-04 2.2004969E-04 20 2.6230144E-03 -1.1648433E-03 4.4315895E-04 21 5.5899815E-03 -2.5053409E-03 9.4841229E-04 22 1.2339671E-02 -5.5443506E-03 2.1116383E-03 23 2.7648635E-02 -1.2611535E-02 4.7932349E-03 24 6.0416204E-02 -2.8011420E-02 1.0718643E-02 25 1.2275726E-01 -5.8811990E-02 2.2558538E-02 26 2.1527927E-01 -1.0701992E-01 4.1463829E-02 27 2.9907326E-01 -1.5646193E-01 6.1063241E-02 28 2.7656869E-01 -1.3084160E-01 4.9970691E-02 29 1.3646458E-01 5.6719473E-02 -3.6778215E-02 30 2.8462320E-02 3.2719717E-01 -1.6787520E-01 31 2.3087758E-03 4.4655580E-01 -2.6460606E-01 32 3.0563825E-04 2.5020423E-01 -1.1601026E-01 33 -4.3557497E-05 4.9509453E-02 2.4578233E-01 34 -1.8375354E-05 4.7306664E-03 4.4010410E-01 35 -2.1353996E-05 1.5491514E-05 3.5090144E-01 36 -7.3540511E-07 5.6724274E-04 1.4104305E-01 37 -4.9050988E-06 -2.9784204E-04 2.7552688E-02 38 1.7517212E-06 2.4741814E-04 2.8043586E-03 39 -1.5370993E-06 -1.7400355E-04 1.0791762E-03 40 1.0014354E-06 1.1876711E-04 -2.5259652E-04 41 -6.2954607E-07 -7.6128862E-05 2.2581225E-04 42 3.5060118E-07 4.2696721E-05 -1.2686592E-04 43 -1.5176386E-07 -1.8583291E-05 5.6319958E-05 44 3.7431274E-08 4.6011501E-06 -1.4157943E-05 *** Small-Component *** 45 -1.6500324E-08 6.8928613E-09 -2.7861032E-09 46 4.0408779E-08 -1.6380779E-08 6.8539663E-09 47 9.3266683E-08 -4.4418230E-08 1.5405458E-08 48 1.8625599E-07 -7.6687013E-08 3.1522786E-08 49 3.4094905E-07 -1.5941716E-07 5.6511037E-08 50 5.4467930E-07 -2.2768930E-07 9.1988670E-08 51 9.1652456E-07 -4.2379373E-07 1.5224812E-07 52 1.4146626E-06 -5.9861396E-07 2.3854406E-07 53 2.3247184E-06 -1.0653877E-06 3.8693679E-07 54 3.6186946E-06 -1.5470912E-06 6.0953239E-07 55 5.9702669E-06 -2.7151988E-06 9.9570547E-07 56 9.5449296E-06 -4.1185580E-06 1.6066832E-06 57 1.6071594E-05 -7.2606091E-06 2.6860651E-06 58 2.6688532E-05 -1.1612443E-05 4.4914911E-06 59 4.6354298E-05 -2.0827544E-05 7.7648167E-06 60 8.0397431E-05 -3.5237901E-05 1.3535140E-05 61 1.4459514E-04 -6.4726732E-05 2.4282370E-05 62 2.6116155E-04 -1.1519268E-04 4.4027027E-05 63 4.8347023E-04 -2.1618105E-04 8.1480898E-05 64 8.9605867E-04 -3.9790662E-04 1.5165564E-04 65 1.6725061E-03 -7.5075761E-04 2.8401523E-04 66 3.0757590E-03 -1.3822655E-03 5.2671225E-04 67 5.5297256E-03 -2.5235682E-03 9.5899879E-04 68 9.4374955E-03 -4.3766462E-03 1.6749665E-03 69 1.4721873E-02 -7.0567676E-03 2.7068401E-03 70 1.9605612E-02 -9.7541011E-03 3.7796945E-03 71 2.0543996E-02 -1.0763154E-02 4.2014511E-03 72 1.4250684E-02 -6.7631516E-03 2.5848468E-03 73 5.2239381E-03 2.2179884E-03 -1.4324845E-03 74 7.6535816E-04 9.5434782E-03 -4.8932919E-03 75 7.3457632E-06 9.7530910E-03 -5.7766997E-03 76 -2.2995592E-05 4.0929052E-03 -1.8985442E-03 77 -1.8608851E-05 6.0729028E-04 3.0054079E-03 78 -1.1972395E-05 4.4210852E-05 4.0306359E-03 79 -7.6541168E-06 6.0690559E-07 2.4060609E-03 80 -5.0656815E-06 3.2833235E-06 7.2375527E-04 81 -3.0180222E-06 -9.4744163E-07 1.0562382E-04 82 -2.3284511E-06 8.8316971E-07 7.8246877E-06 83 -9.7676258E-07 -3.1259877E-07 2.2270198E-06 84 -1.3552768E-06 2.9004842E-07 -5.5089850E-07 85 6.3433700E-08 -9.8796992E-08 2.8070499E-07 86 -1.0964072E-06 1.1650773E-07 -2.2974175E-07 87 4.8215668E-07 -4.6856880E-08 8.8716503E-08 88 -6.3412058E-07 4.6760219E-08 -7.3349677E-08 2P+ 3P+ 4P+ -1.0610808E+02 -1.7881730E+01 -2.1120288E+00 ------------ ------------ ------------ *** Large-Component *** 1 2.3387763E-08 -1.0378416E-08 3.8951330E-09 2 -3.0657637E-08 1.3545645E-08 -5.0105508E-09 3 7.7357904E-08 -3.4185961E-08 1.2646935E-08 4 -3.2821550E-08 1.4163054E-08 -4.8140530E-09 5 1.5243349E-07 -6.7028323E-08 2.4345736E-08 6 7.4762371E-08 -3.4625962E-08 1.4772587E-08 7 4.0034425E-07 -1.7588528E-07 6.3560637E-08 8 5.8741857E-07 -2.6541070E-07 1.0516876E-07 9 1.5156717E-06 -6.6839060E-07 2.4420699E-07 10 3.0080186E-06 -1.3511905E-06 5.2472785E-07 11 6.9483798E-06 -3.0771510E-06 1.1383944E-06 12 1.5201029E-05 -6.8093287E-06 2.6150178E-06 13 3.5067591E-05 -1.5582331E-05 5.8163214E-06 14 8.0135047E-05 -3.5856199E-05 1.3677279E-05 15 1.8768783E-04 -8.3640469E-05 3.1397172E-05 16 4.3882755E-04 -1.9647228E-04 7.4660464E-05 17 1.0363647E-03 -4.6357858E-04 1.7464983E-04 18 2.4321908E-03 -1.0930924E-03 4.1474773E-04 19 5.6750435E-03 -2.5584629E-03 9.6673749E-04 20 1.2963933E-02 -5.8949541E-03 2.2386741E-03 21 2.8747278E-02 -1.3226786E-02 5.0196334E-03 22 6.0428585E-02 -2.8387119E-02 1.0835824E-02 23 1.1642842E-01 -5.6279848E-02 2.1551539E-02 24 1.9542978E-01 -9.8093445E-02 3.7893094E-02 25 2.6880471E-01 -1.4134079E-01 5.5031567E-02 26 2.6668392E-01 -1.3609292E-01 5.2697133E-02 27 1.6294793E-01 -1.0476323E-02 -4.3592290E-03 28 5.2423310E-02 2.0620235E-01 -1.0541536E-01 29 7.3168300E-03 3.9043424E-01 -2.1307309E-01 30 8.7250748E-04 3.5281607E-01 -2.1977157E-01 31 1.3308696E-05 1.4618461E-01 4.1553283E-03 32 1.6623892E-05 2.7136052E-02 2.8514924E-01 33 -6.4458527E-05 2.1385090E-03 3.9878850E-01 34 1.6386193E-05 9.3356708E-04 3.0739680E-01 35 -2.6977448E-05 -1.9920063E-04 1.3898569E-01 36 1.4436846E-05 2.9918948E-04 3.3729124E-02 37 -1.2720453E-05 -1.9207473E-04 5.3957695E-03 38 8.7944345E-06 1.4989380E-04 9.8927265E-04 39 -6.3334815E-06 -1.0859110E-04 2.5958320E-04 40 4.3031663E-06 7.4092115E-05 -2.1416648E-05 41 -2.6940885E-06 -4.6791217E-05 3.0567446E-05 42 1.4574010E-06 2.5416644E-05 -1.6502393E-05 43 -5.9922923E-07 -1.0478712E-05 6.9039425E-06 44 1.3728664E-07 2.4047707E-06 -1.5938377E-06 *** Small-Component *** 45 6.2879350E-08 -2.7694957E-08 1.0141152E-08 46 -4.3039616E-08 1.8119339E-08 -5.5676448E-09 47 1.5258669E-07 -6.5499911E-08 2.1809070E-08 48 3.5275810E-08 -1.9824519E-08 1.2723294E-08 49 3.1210138E-07 -1.3220667E-07 4.1706800E-08 50 3.7202519E-07 -1.7490965E-07 7.8127518E-08 51 9.1617636E-07 -3.9372825E-07 1.3166095E-07 52 1.5469909E-06 -7.0631714E-07 2.9037395E-07 53 3.1608324E-06 -1.3794439E-06 4.8869680E-07 54 5.7907866E-06 -2.6090504E-06 1.0294231E-06 55 1.1325224E-05 -4.9877374E-06 1.8242371E-06 56 2.1223340E-05 -9.5008398E-06 3.6694417E-06 57 4.0879400E-05 -1.8094661E-05 6.7255736E-06 58 7.7140038E-05 -3.4438412E-05 1.3157341E-05 59 1.4724643E-04 -6.5396514E-05 2.4506519E-05 60 2.7748794E-04 -1.2387965E-04 4.7080834E-05 61 5.2349523E-04 -2.3341101E-04 8.7857228E-05 62 9.7355282E-04 -4.3621683E-04 1.6545631E-04 63 1.7888402E-03 -8.0398887E-04 3.0360576E-04 64 3.2006285E-03 -1.4511478E-03 5.5084364E-04 65 5.5356667E-03 -2.5398049E-03 9.6338240E-04 66 9.0446127E-03 -4.2376210E-03 1.6168744E-03 67 1.3507747E-02 -6.5137379E-03 2.4933313E-03 68 1.7535884E-02 -8.7831504E-03 3.3917440E-03 69 1.8629112E-02 -9.7772453E-03 3.8057402E-03 70 1.4260612E-02 -7.2685350E-03 2.8143421E-03 71 6.7169090E-03 -4.3963733E-04 -1.7468105E-04 72 1.6649010E-03 6.5270116E-03 -3.3356573E-03 73 1.7894255E-04 9.5264589E-03 -5.1971386E-03 74 1.6425738E-05 6.6325462E-03 -4.1303526E-03 75 1.8608687E-07 2.1167162E-03 5.9522835E-05 76 1.8969237E-07 3.0264282E-04 3.1784287E-03 77 -5.5715984E-07 1.8349871E-05 3.4237189E-03 78 1.1078900E-07 6.1859948E-06 2.0325656E-03 79 -1.3917865E-07 -1.0234117E-06 7.0778012E-04 80 5.7885562E-08 1.1800084E-06 1.3228515E-04 81 -3.9325087E-08 -5.8492839E-07 1.6298298E-05 82 2.1094935E-08 3.5209727E-07 2.3011040E-06 83 -1.1788050E-08 -1.9693540E-07 4.6520102E-07 84 6.2320359E-09 1.0384080E-07 -2.9639941E-08 85 -3.0469648E-09 -5.0737150E-08 3.2536032E-08 86 1.2945898E-09 2.1365284E-08 -1.3535486E-08 87 -4.2187306E-10 -6.8497205E-09 4.3652237E-09 88 7.7606589E-11 1.2281723E-09 -7.7715875E-10 3D- 4D- -1.1295567E+01 -3.8973248E-01 ------------ ------------ *** Large-Component *** 1 6.7290988E-08 -1.9449978E-08 2 -6.1743688E-08 1.7557955E-08 3 1.9331499E-07 -5.5165986E-08 4 -8.1222237E-09 2.8201939E-10 5 4.1628299E-07 -1.1679281E-07 6 4.0768556E-07 -1.2609621E-07 7 1.3046410E-06 -3.6459096E-07 8 2.3808351E-06 -7.1767992E-07 9 5.8712537E-06 -1.6573518E-06 10 1.3599992E-05 -4.0389140E-06 11 3.5243166E-05 -1.0080418E-05 12 9.4409233E-05 -2.7740921E-05 13 2.6731377E-04 -7.7216410E-05 14 7.7425107E-04 -2.2644716E-04 15 2.2717653E-03 -6.6077051E-04 16 6.5386998E-03 -1.9155254E-03 17 1.7711481E-02 -5.1917314E-03 18 4.3538433E-02 -1.2866197E-02 19 9.5813241E-02 -2.8563595E-02 20 1.7658486E-01 -5.2906028E-02 21 2.5601754E-01 -7.4698985E-02 22 2.8935487E-01 -8.0219291E-02 23 2.2683321E-01 -3.9914237E-02 24 1.0522385E-01 7.0353255E-02 25 2.6649455E-02 1.9252569E-01 26 3.3847428E-03 2.6109327E-01 27 7.2632846E-04 2.6296435E-01 28 1.4742217E-04 2.1702515E-01 29 2.2359358E-04 1.4780741E-01 30 1.4631890E-05 7.7588960E-02 31 6.7026581E-05 2.6098728E-02 32 -2.5776708E-05 3.9563921E-03 33 1.9209179E-05 1.4982221E-04 34 -1.0878037E-05 -1.1712855E-06 35 4.8600214E-06 1.2919030E-06 36 -1.2556704E-06 -3.9895197E-07 *** Small-Component *** 37 8.9127943E-09 -2.0645273E-09 38 -1.0937964E-09 -1.5682714E-09 39 2.4243688E-08 -2.9830212E-09 40 2.3966786E-08 -1.3977838E-08 41 8.3542216E-08 -1.3342986E-08 42 1.5710415E-07 -6.1763264E-08 43 3.9919670E-07 -9.2762288E-08 44 8.9109052E-07 -2.9178682E-07 45 2.1761412E-06 -5.8582957E-07 46 5.1546414E-06 -1.5630301E-06 47 1.2584342E-05 -3.5658978E-06 48 3.0378104E-05 -8.9605378E-06 49 7.3541497E-05 -2.1213138E-05 50 1.7532349E-04 -5.1306046E-05 51 4.1157566E-04 -1.1968890E-04 52 9.3047941E-04 -2.7260640E-04 53 1.9564322E-03 -5.7347513E-04 54 3.7048567E-03 -1.0948541E-03 55 6.2513076E-03 -1.8636719E-03 56 8.8105360E-03 -2.6399812E-03 57 9.7534564E-03 -2.8462295E-03 58 8.4094735E-03 -2.3318353E-03 59 5.0258821E-03 -8.8477845E-04 60 1.7759097E-03 1.1889020E-03 61 3.4173800E-04 2.4800158E-03 62 3.2378043E-05 2.5633945E-03 63 5.0017403E-06 1.9676683E-03 64 6.1764882E-07 1.2376277E-03 65 8.6135939E-07 6.4238801E-04 66 -1.0036847E-08 2.5698805E-04 67 1.4212351E-07 6.5876400E-05 68 -6.6228120E-08 7.6066478E-06 69 2.3124205E-08 2.1825971E-07 70 -1.8587848E-08 -3.2536263E-09 71 4.8527890E-09 1.3312935E-09 72 -3.6265356E-09 -1.0954455E-09 3D+ 4D+ -1.1131919E+01 -3.7670811E-01 ------------ ------------ *** Large-Component *** 1 1.7024130E-08 -5.0428743E-09 2 -5.1444895E-09 2.1408254E-09 3 7.1648221E-08 -2.2488176E-08 4 1.0143320E-07 -2.5126413E-08 5 3.8338002E-07 -1.1856597E-07 6 1.0634243E-06 -2.9136419E-07 7 3.0777212E-06 -9.1409702E-07 8 9.2484473E-06 -2.6175195E-06 9 2.6824046E-05 -7.8176616E-06 10 7.9826975E-05 -2.2873598E-05 11 2.3143157E-04 -6.7040956E-05 12 6.7083764E-04 -1.9331251E-04 13 1.8979028E-03 -5.4983378E-04 14 5.2281019E-03 -1.5146216E-03 15 1.3517333E-02 -3.9345633E-03 16 3.2081220E-02 -9.3729670E-03 17 6.9127855E-02 -2.0394218E-02 18 1.3078712E-01 -3.8868805E-02 19 2.0352711E-01 -5.9939941E-02 20 2.5819864E-01 -7.3410042E-02 21 2.5772367E-01 -6.7297482E-02 22 1.7780462E-01 -1.3100736E-02 23 7.6694975E-02 8.9293373E-02 24 1.9310106E-02 1.8719078E-01 25 2.8633148E-03 2.4026129E-01 26 5.9477689E-04 2.4216206E-01 27 2.3260456E-04 2.0666840E-01 28 1.6688839E-04 1.5055282E-01 29 7.5806436E-05 8.9953670E-02 30 4.5622380E-05 3.9053060E-02 31 3.4563257E-06 9.8705718E-03 32 5.0191437E-06 9.5408311E-04 33 -2.5851905E-06 3.9452181E-05 34 1.4455398E-06 -1.0817763E-05 35 -6.1721725E-07 4.8715165E-06 36 1.4956597E-07 -1.2215062E-06 *** Small-Component *** 37 3.2685632E-08 -9.8886130E-09 38 1.8582297E-09 1.2856653E-09 39 9.7028482E-08 -3.2022053E-08 40 1.5830243E-07 -3.8413739E-08 41 4.0817825E-07 -1.2877483E-07 42 1.0021543E-06 -2.7227692E-07 43 2.2897158E-06 -6.8278598E-07 44 5.6163087E-06 -1.5859877E-06 45 1.2988150E-05 -3.7871180E-06 46 3.0824763E-05 -8.8259075E-06 47 7.0746482E-05 -2.0489567E-05 48 1.6183368E-04 -4.6614865E-05 49 3.6001311E-04 -1.0426504E-04 50 7.7785655E-04 -2.2527464E-04 51 1.5738936E-03 -4.5798738E-04 52 2.9183314E-03 -8.5239038E-04 53 4.9074956E-03 -1.4474444E-03 54 7.2398607E-03 -2.1511341E-03 55 8.7782824E-03 -2.5847684E-03 56 8.6730300E-03 -2.4654803E-03 57 6.7410644E-03 -1.7600685E-03 58 3.6208572E-03 -2.6705827E-04 59 1.2158373E-03 1.4149086E-03 60 2.3829339E-04 2.3092312E-03 61 2.7502331E-05 2.3072538E-03 62 4.4472806E-06 1.8102304E-03 63 1.3530527E-06 1.2025798E-03 64 7.5627267E-07 6.8192786E-04 65 2.6703001E-07 3.1715971E-04 66 1.2538962E-07 1.0718213E-04 67 7.2591669E-09 2.1087282E-05 68 8.4315728E-09 1.5865546E-06 69 -3.4006799E-09 5.1108099E-08 70 1.4872307E-09 -1.0922077E-08 71 -4.9776915E-10 3.8307156E-09 72 9.4874886E-11 -7.4834745E-10 RADIAL MOMENTS Sym Orb S+ 1 4.46663E+03 4.58781E+01 3.34268E-02 1.50892E-03 8.59209E-05 5.91442E-06 2 4.96552E+02 1.05198E+01 1.45035E-01 2.48652E-02 4.85798E-03 1.07050E-03 3 9.26075E+01 3.64478E+00 4.00000E-01 1.83166E-01 9.27939E-02 5.16105E-02 4 1.56020E+01 1.32304E+00 1.02754E+00 1.19592E+00 1.53731E+00 2.17218E+00 5 9.50570E-01 3.42299E-01 3.69714E+00 1.58513E+01 7.76129E+01 4.30235E+02 P- 1 1.59763E+02 1.04612E+01 1.23707E-01 1.87934E-02 3.39445E-03 7.12728E-04 2 2.95551E+01 3.53801E+00 3.93943E-01 1.80465E-01 9.25559E-02 5.26853E-02 3 4.63451E+00 1.20211E+00 1.11806E+00 1.43305E+00 2.05677E+00 3.29426E+00 P+ 1 1.33991E+02 9.91592E+00 1.28431E-01 2.01295E-02 3.73950E-03 8.06183E-04 2 2.50070E+01 3.40956E+00 4.04104E-01 1.89695E-01 9.96552E-02 5.80881E-02 3 3.94869E+00 1.16525E+00 1.14710E+00 1.50897E+00 2.22426E+00 3.66187E+00 D- 1 1.31356E+01 3.21737E+00 3.81058E-01 1.73596E-01 9.27382E-02 5.72364E-02 2 1.30150E+00 8.23423E-01 1.63988E+00 3.30838E+00 8.08871E+00 2.37730E+01 D+ 1 1.28100E+01 3.18357E+00 3.84452E-01 1.76553E-01 9.50335E-02 5.90820E-02 2 1.25579E+00 8.10930E-01 1.66534E+00 3.41740E+00 8.51253E+00 2.55198E+01 ******************************************************************************************* ******************************************************************************************* Rh [Kr]5s(1)4d(8) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 45.0 Atomic Mass = 103.0 Nuclear Radius = 1.095097E-04 Speed of Light = 137.0359955 S+ P- P+ D- D+ Number of Closed Shells 4 3 3 1 1 Open Shells 1 0 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.33333333 1.0 0.0 0.0 4.0 4.0 0.0 0.0 2 0.53333333 1.0 0.0 0.0 3.0 5.0 0.0 0.0 3 0.13333333 1.0 0.0 0.0 2.0 6.0 0.0 0.0 ENERGIES Total Energy = -4.78264596613654E+03 Mass Energy = -4.78248619628351E+03 Kinetic Energy = 9.76939591656202E+03 Potential Energy = -9.76955568641504E+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+ 5S+ -8.5843348E+02 -1.2743464E+02 -2.4066905E+01 -3.7211591E+00 -2.2813668E-01 ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 -1.4413418E-06 4.8525946E-07 2.0878784E-07 8.5331042E-08 -1.9814846E-08 2 6.6327734E-06 -2.2324438E-06 -9.6050826E-07 -3.9255758E-07 9.1156416E-08 3 -6.0118851E-08 1.9207566E-08 6.6877368E-09 2.3559356E-09 -5.2598174E-10 4 1.4015122E-05 -4.7200592E-06 -2.0292959E-06 -8.2896815E-07 1.9247308E-07 5 7.8872821E-06 -2.6625247E-06 -1.1518796E-06 -4.7225007E-07 1.0974462E-07 6 2.7991442E-05 -9.4405362E-06 -4.0570262E-06 -1.6567279E-06 3.8463154E-07 7 2.9060602E-05 -9.8220481E-06 -4.2448168E-06 -1.7390898E-06 4.0407314E-07 8 6.1698309E-05 -2.0859073E-05 -8.9634212E-06 -3.6596273E-06 8.4958766E-07 9 8.3743697E-05 -2.8373653E-05 -1.2263517E-05 -5.0239325E-06 1.1672684E-06 10 1.5089842E-04 -5.1195023E-05 -2.2003464E-05 -8.9829292E-06 2.0853418E-06 11 2.3342164E-04 -7.9377112E-05 -3.4325976E-05 -1.4063666E-05 3.2676303E-06 12 4.0509373E-04 -1.3806792E-04 -5.9366664E-05 -2.4236414E-05 5.6263008E-06 13 6.7569909E-04 -2.3089642E-04 -9.9922063E-05 -4.0945677E-05 9.5138142E-06 14 1.1871828E-03 -4.0692723E-04 -1.7509293E-04 -7.1488543E-05 1.6595705E-05 15 2.0857063E-03 -7.1717231E-04 -3.1062275E-04 -1.2730522E-04 2.9580305E-05 16 3.7646041E-03 -1.3000488E-03 -5.5999847E-04 -2.2869466E-04 5.3092410E-05 17 6.8527359E-03 -2.3785090E-03 -1.0313944E-03 -4.2277684E-04 9.8237223E-05 18 1.2623764E-02 -4.4166858E-03 -1.9063256E-03 -7.7886931E-04 1.8083224E-04 19 2.3273069E-02 -8.2386802E-03 -3.5818190E-03 -1.4688227E-03 3.4131676E-04 20 4.2560847E-02 -1.5371652E-02 -6.6661553E-03 -2.7262861E-03 6.3307330E-04 21 7.5851440E-02 -2.8316498E-02 -1.2403271E-02 -5.0932910E-03 1.1837946E-03 22 1.2819938E-01 -5.0682670E-02 -2.2270505E-02 -9.1312287E-03 2.1212133E-03 23 1.9637141E-01 -8.5542075E-02 -3.8341636E-02 -1.5815681E-02 3.6785324E-03 24 2.5179371E-01 -1.2895676E-01 -5.8915454E-02 -2.4331625E-02 5.6584634E-03 25 2.3622045E-01 -1.5196378E-01 -7.2807164E-02 -3.0451433E-02 7.0987504E-03 26 1.3034951E-01 -8.5900231E-02 -4.1961372E-02 -1.7487236E-02 4.0695191E-03 27 2.9883246E-02 1.3993419E-01 8.4376780E-02 3.6503673E-02 -8.5455574E-03 28 1.9709916E-03 4.3155070E-01 3.3080210E-01 1.5235794E-01 -3.6063644E-02 29 1.4383528E-04 4.2807486E-01 4.3450874E-01 2.0922290E-01 -4.9793975E-02 30 -1.1661312E-05 1.6172897E-01 1.1397444E-01 5.8863968E-02 -1.4451613E-02 31 -7.5180092E-05 1.9332730E-02 -4.8783975E-01 -3.1493821E-01 7.9053324E-02 32 1.2785311E-05 1.5055772E-03 -6.3183172E-01 -6.4379538E-01 1.7480613E-01 33 -2.1523857E-05 8.7671443E-05 -2.0438084E-01 -2.1614025E-01 5.3634683E-02 34 2.0010542E-05 -1.5700195E-04 -2.3138122E-02 4.6145185E-01 -1.5683293E-01 35 -1.2124032E-05 -7.7755744E-06 1.0332172E-03 6.1735844E-01 -2.3469559E-01 36 1.0355285E-05 -5.4953102E-05 -3.1514015E-03 3.0180819E-01 -1.8181414E-01 37 -7.3815148E-06 2.9006489E-05 1.9618430E-03 5.1589548E-02 -6.2519626E-02 38 5.4031882E-06 -2.4108382E-05 -1.5857099E-03 4.1786158E-03 1.0515036E-01 39 -3.8256135E-06 1.7240158E-05 1.1445849E-03 1.5240343E-04 3.1788117E-01 40 2.5762790E-06 -1.1596004E-05 -7.8469827E-04 4.7502679E-04 4.3662441E-01 41 -1.6072736E-06 7.4094156E-06 4.9737316E-04 -4.6315319E-05 2.7746293E-01 42 8.5668928E-07 -3.9226273E-06 -2.6647179E-04 1.1373843E-04 5.2836304E-02 43 -3.4487964E-07 1.5980508E-06 1.0798822E-04 -3.6322414E-05 1.1055838E-03 44 7.5956760E-08 -3.5610588E-07 -2.3901489E-05 8.1073814E-06 1.5015157E-05 *** Small-Component *** 45 -2.7230058E-06 9.1583327E-07 3.9200180E-07 1.5971662E-07 -3.7060225E-08 46 2.3557468E-06 -7.9360604E-07 -3.3252045E-07 -1.3369828E-07 3.0921928E-08 47 1.4230244E-05 -4.7819983E-06 -2.0796444E-06 -8.5547730E-07 1.9896443E-07 48 1.8423055E-05 -6.2001777E-06 -2.6308428E-06 -1.0661834E-06 2.4707013E-07 49 3.9242235E-05 -1.3188189E-05 -5.7373585E-06 -2.3605677E-06 5.4903984E-07 50 5.6494528E-05 -1.9009859E-05 -8.0941506E-06 -3.2872543E-06 7.6216408E-07 51 9.3280430E-05 -3.1354621E-05 -1.3624051E-05 -5.6014123E-06 1.3025949E-06 52 1.3966352E-04 -4.6995599E-05 -2.0053576E-05 -8.1550952E-06 1.8914068E-06 53 2.1586242E-04 -7.2578625E-05 -3.1488490E-05 -1.2934335E-05 3.0071789E-06 54 3.2541524E-04 -1.0951856E-04 -4.6810981E-05 -1.9055575E-05 4.4206356E-06 55 4.9395104E-04 -1.6615759E-04 -7.1992635E-05 -2.9547922E-05 6.8684102E-06 56 7.4448518E-04 -2.5068747E-04 -1.0729847E-04 -4.3713874E-05 1.0143017E-05 57 1.1233811E-03 -3.7825944E-04 -1.6372620E-04 -6.7153860E-05 1.5607385E-05 58 1.6899640E-03 -5.6984945E-04 -2.4421082E-04 -9.9559919E-05 2.3104819E-05 59 2.5400314E-03 -8.5731460E-04 -3.7086088E-04 -1.5203734E-04 3.5330950E-05 60 3.8048914E-03 -1.2878722E-03 -5.5268732E-04 -2.2545822E-04 5.2329331E-05 61 5.6781060E-03 -1.9288341E-03 -8.3453027E-04 -3.4203060E-04 7.9475856E-05 62 8.4099848E-03 -2.8772701E-03 -1.2374861E-03 -5.0515824E-04 1.1726504E-04 63 1.2311072E-02 -4.2592091E-03 -1.8466031E-03 -7.5695391E-04 1.7588892E-04 64 1.7646081E-02 -6.2283634E-03 -2.6920573E-03 -1.1001864E-03 2.5544367E-04 65 2.4413243E-02 -8.9096427E-03 -3.8915011E-03 -1.5972389E-03 3.7120877E-04 66 3.1760000E-02 -1.2283722E-02 -5.3816127E-03 -2.2052192E-03 5.1222960E-04 67 3.7208890E-02 -1.5872252E-02 -7.0959182E-03 -2.9256650E-03 6.8042624E-04 68 3.6305683E-02 -1.8231894E-02 -8.3097023E-03 -3.4302786E-03 7.9767459E-04 69 2.5816856E-02 -1.6321528E-02 -7.8068799E-03 -3.2642167E-03 7.6090826E-04 70 1.0764357E-02 -7.0288384E-03 -3.4371736E-03 -1.4328628E-03 3.3346844E-04 71 1.8611501E-03 8.4624321E-03 5.0801449E-03 2.1958688E-03 -5.1398278E-04 72 9.1900138E-05 1.9807007E-02 1.5139242E-02 6.9693588E-03 -1.6495515E-03 73 5.1430402E-06 1.4816408E-02 1.5004829E-02 7.2233705E-03 -1.7190755E-03 74 -4.0908918E-07 4.2144716E-03 2.9726580E-03 1.5361058E-03 -3.7711345E-04 75 -1.4141173E-06 3.7930303E-04 -9.5356163E-03 -6.1522482E-03 1.5441289E-03 76 1.4124321E-07 2.2044794E-05 -9.3000977E-03 -9.4715055E-03 2.5716179E-03 77 -2.0306919E-07 1.0712331E-06 -2.2638766E-03 -2.3939930E-03 5.9417106E-04 78 1.4074125E-07 -1.3832794E-06 -1.9292285E-04 3.8438473E-03 -1.3063082E-03 79 -5.6333491E-08 4.3954386E-09 6.5376949E-06 3.8697829E-03 -1.4710408E-03 80 3.4279518E-08 -2.9801860E-07 -1.4911432E-05 1.4235413E-03 -8.5750278E-04 81 -1.5480811E-08 1.3083545E-07 6.9959496E-06 1.8308138E-04 -2.2186707E-04 82 6.6552051E-09 -8.4274699E-08 -4.2580093E-06 1.1166147E-05 2.8076682E-04 83 -2.1608868E-09 4.8593041E-08 2.3160582E-06 3.0092077E-07 6.3868284E-04 84 1.0515759E-10 -2.6999876E-08 -1.1972030E-06 7.2167319E-07 6.6008565E-04 85 5.9873586E-10 1.4437504E-08 5.7258198E-07 -5.4870215E-08 3.1562653E-04 86 -6.2824246E-10 -6.6942481E-09 -2.3181811E-07 9.8545682E-08 4.5223879E-05 87 3.6706406E-10 2.4546173E-09 7.1141139E-08 -2.3900918E-08 7.1227463E-07 88 -1.0762790E-10 -5.1823765E-10 -1.1968967E-08 4.0509647E-09 7.2202222E-09 2P- 3P- 4P- -1.1759653E+02 -2.0166137E+01 -2.4492782E+00 ------------ ------------ ------------ *** Large-Component *** 1 -1.0083528E-07 4.4844589E-08 -1.7263492E-08 2 3.3319931E-08 -1.4714001E-08 5.6832651E-09 3 8.1267944E-07 -3.6193230E-07 1.3924208E-07 4 6.9008632E-07 -3.0659400E-07 1.1808273E-07 5 2.1300268E-06 -9.4880101E-07 3.6499360E-07 6 2.4812025E-06 -1.1027411E-06 4.2464673E-07 7 4.8596430E-06 -2.1651386E-06 8.3283776E-07 8 6.6305933E-06 -2.9468176E-06 1.1347938E-06 9 1.1120944E-05 -4.9562469E-06 1.9062489E-06 10 1.6267236E-05 -7.2281064E-06 2.7838233E-06 11 2.5877378E-05 -1.1538322E-05 4.4370837E-06 12 3.9178943E-05 -1.7402688E-05 6.7039878E-06 13 6.1697498E-05 -2.7532032E-05 1.0585087E-05 14 9.6102672E-05 -4.2672629E-05 1.6444602E-05 15 1.5426691E-04 -6.8930822E-05 2.6494967E-05 16 2.5137394E-04 -1.1162826E-04 4.3039461E-05 17 4.2726764E-04 -1.9131510E-04 7.3530740E-05 18 7.5775215E-04 -3.3705469E-04 1.3003155E-04 19 1.4309431E-03 -6.4286558E-04 2.4720990E-04 20 2.8661459E-03 -1.2814925E-03 4.9472524E-04 21 6.0894783E-03 -2.7539236E-03 1.0607248E-03 22 1.3400713E-02 -6.0673442E-03 2.3461034E-03 23 2.9873839E-02 -1.3759654E-02 5.3201930E-03 24 6.4835167E-02 -3.0344517E-02 1.1796853E-02 25 1.3018137E-01 -6.3090495E-02 2.4626476E-02 26 2.2441908E-01 -1.1285133E-01 4.4455222E-02 27 3.0297736E-01 -1.6032453E-01 6.3719258E-02 28 2.6692390E-01 -1.2091487E-01 4.6083234E-02 29 1.2288294E-01 8.2474663E-02 -4.9881784E-02 30 2.3233828E-02 3.5486551E-01 -1.8779162E-01 31 1.7624642E-03 4.4197067E-01 -2.7268898E-01 32 2.1951379E-04 2.1899599E-01 -7.4349567E-02 33 -5.5218988E-05 3.8018573E-02 2.9517648E-01 34 -2.2093467E-05 3.2798507E-03 4.4573874E-01 35 -2.0866586E-05 2.9596342E-04 3.2053411E-01 36 -1.0167673E-06 2.8159347E-04 1.1520587E-01 37 -4.6332093E-06 -8.6843880E-05 2.0335982E-02 38 1.7359610E-06 8.7778976E-05 1.9624460E-03 39 -1.4741579E-06 -5.9672994E-05 8.8768338E-04 40 9.7607700E-07 4.0042086E-05 -2.5969186E-04 41 -6.1480157E-07 -2.5697257E-05 2.1450065E-04 42 3.4276848E-07 1.4372690E-05 -1.2131462E-04 43 -1.4838909E-07 -6.2438492E-06 5.3730446E-05 44 3.6582800E-08 1.5434045E-06 -1.3456693E-05 *** Small-Component *** 45 -1.8601856E-08 7.6649660E-09 -3.0560324E-09 46 4.5023100E-08 -1.7761083E-08 7.2285962E-09 47 1.0456862E-07 -5.1518440E-08 1.8968316E-08 48 2.1056243E-07 -8.5046321E-08 3.4229959E-08 49 3.8194214E-07 -1.8359978E-07 6.8316772E-08 50 6.1593734E-07 -2.5407990E-07 1.0126583E-07 51 1.0260816E-06 -4.8588427E-07 1.8199357E-07 52 1.5958045E-06 -6.6932185E-07 2.6475334E-07 53 2.5989366E-06 -1.2158856E-06 4.5792000E-07 54 4.0674106E-06 -1.7298835E-06 6.8006601E-07 55 6.6587681E-06 -3.0827343E-06 1.1667205E-06 56 1.0680591E-05 -4.5991483E-06 1.7985362E-06 57 1.7865471E-05 -8.1948942E-06 3.1156330E-06 58 2.9708494E-05 -1.2936122E-05 5.0359857E-06 59 5.1314738E-05 -2.3356940E-05 8.9163464E-06 60 8.8991595E-05 -3.9126004E-05 1.5176711E-05 61 1.5932468E-04 -7.2118216E-05 2.7624313E-05 62 2.8744285E-04 -1.2741249E-04 4.9299145E-05 63 5.3008636E-04 -2.3937980E-04 9.1941219E-05 64 9.8052396E-04 -4.3816851E-04 1.6934285E-04 65 1.8231225E-03 -8.2604876E-04 3.1807758E-04 66 3.3415851E-03 -1.5130950E-03 5.8526575E-04 67 5.9758293E-03 -2.7540581E-03 1.0648137E-03 68 1.0128955E-02 -4.7417300E-03 1.8436077E-03 69 1.5612958E-02 -7.5710691E-03 2.9554239E-03 70 2.0437681E-02 -1.0286186E-02 4.0526324E-03 71 2.0808777E-02 -1.1029225E-02 4.3845365E-03 72 1.3744646E-02 -6.2483744E-03 2.3835081E-03 73 4.6906511E-03 3.2200334E-03 -1.9420375E-03 74 6.1010047E-04 1.0350445E-02 -5.4737585E-03 75 -6.2677278E-06 9.6535331E-03 -5.9535121E-03 76 -2.5463234E-05 3.5828356E-03 -1.2180914E-03 77 -1.9448482E-05 4.6666448E-04 3.6097037E-03 78 -1.2451613E-05 3.0924903E-05 4.0821964E-03 79 -7.9407006E-06 2.5434011E-06 2.1977368E-03 80 -5.2576054E-06 1.8195238E-06 5.9103679E-04 81 -3.1331632E-06 -1.3080989E-07 7.7859479E-05 82 -2.4162147E-06 4.2505056E-07 5.3822787E-06 83 -1.0146321E-06 -6.4195990E-08 1.8087062E-06 84 -1.4064702E-06 1.6402485E-07 -5.7317682E-07 85 6.5520085E-08 -3.7589709E-08 2.6811167E-07 86 -1.1380216E-06 9.1961671E-08 -2.3304991E-07 87 5.0045095E-07 -3.8969910E-08 9.0633180E-08 88 -6.5827788E-07 4.5921920E-08 -7.7654205E-08 2P+ 3P+ 4P+ -1.1225241E+02 -1.9215194E+01 -2.2978937E+00 ------------ ------------ ------------ *** Large-Component *** 1 2.6096877E-08 -1.1706885E-08 4.4572254E-09 2 -3.4195563E-08 1.5373014E-08 -5.7507313E-09 3 8.6192445E-08 -3.8754594E-08 1.4499697E-08 4 -3.6559169E-08 1.6626767E-08 -5.6322241E-09 5 1.6933402E-07 -7.6370910E-08 2.7950050E-08 6 8.3095831E-08 -3.6509912E-08 1.6368485E-08 7 4.4284750E-07 -2.0000216E-07 7.2748167E-08 8 6.5065199E-07 -2.8975117E-07 1.1801426E-07 9 1.6701560E-06 -7.5361336E-07 2.7772148E-07 10 3.3181736E-06 -1.4834827E-06 5.8913252E-07 11 7.6310095E-06 -3.4393671E-06 1.2866264E-06 12 1.6699093E-05 -7.4850085E-06 2.9315683E-06 13 3.8393493E-05 -1.7295719E-05 6.5404110E-06 14 8.7702780E-05 -3.9395329E-05 1.5300761E-05 15 2.0488919E-04 -9.2346953E-05 3.5162441E-05 16 4.7863507E-04 -2.1556058E-04 8.3326317E-05 17 1.1278660E-03 -5.0961482E-04 1.9489243E-04 18 2.6428544E-03 -1.1963362E-03 4.6152281E-04 19 6.1499649E-03 -2.7995645E-03 1.0743326E-03 20 1.4008852E-02 -6.4237166E-03 2.4800056E-03 21 3.0927364E-02 -1.4377886E-02 5.5440682E-03 22 6.4594029E-02 -3.0654004E-02 1.1898524E-02 23 1.2313459E-01 -6.0238208E-02 2.3450994E-02 24 2.0360456E-01 -1.0345373E-01 4.0665786E-02 25 2.7330614E-01 -1.4558332E-01 5.7660391E-02 26 2.6043125E-01 -1.3055741E-01 5.1047449E-02 27 1.5056485E-01 8.9327473E-03 -1.3875040E-02 28 4.4893924E-02 2.3252331E-01 -1.2088011E-01 29 5.6745183E-03 4.0430263E-01 -2.3076589E-01 30 7.0891955E-04 3.3242987E-01 -2.0837288E-01 31 -3.8094140E-05 1.2289359E-01 5.0433778E-02 32 1.3449007E-05 2.0472797E-02 3.2087420E-01 33 -6.9172918E-05 1.5503380E-03 3.9797330E-01 34 1.8565003E-05 8.7704392E-04 2.8039741E-01 35 -2.8699458E-05 -2.0495894E-04 1.1571962E-01 36 1.5800523E-05 2.9497724E-04 2.5134630E-02 37 -1.3578270E-05 -1.9102490E-04 4.1864117E-03 38 9.4932950E-06 1.4797364E-04 5.9180876E-04 39 -6.8055921E-06 -1.0724404E-04 3.0373217E-04 40 4.6256147E-06 7.3160876E-05 -9.7485324E-05 41 -2.8957989E-06 -4.6169544E-05 7.5194122E-05 42 1.5664966E-06 2.5073659E-05 -4.1437300E-05 43 -6.4413224E-07 -1.0336215E-05 1.7390870E-05 44 1.4758948E-07 2.3720167E-06 -4.0427781E-06 *** Small-Component *** 45 6.8638571E-08 -3.0898553E-08 1.1415146E-08 46 -4.6521004E-08 2.1434299E-08 -6.4615796E-09 47 1.6565520E-07 -7.5575594E-08 2.4951042E-08 48 4.0656365E-08 -1.5782628E-08 1.3289536E-08 49 3.3782537E-07 -1.5517169E-07 4.8174540E-08 50 4.1119519E-07 -1.7861945E-07 8.5207148E-08 51 9.9387951E-07 -4.5320429E-07 1.5034441E-07 52 1.6982845E-06 -7.4993639E-07 3.2036691E-07 53 3.4370586E-06 -1.5550142E-06 5.5202699E-07 54 6.3353217E-06 -2.8183393E-06 1.1422136E-06 55 1.2328365E-05 -5.5524450E-06 2.0481512E-06 56 2.3170158E-05 -1.0347321E-05 4.0822842E-06 57 4.4506442E-05 -2.0003713E-05 7.5252950E-06 58 8.4083357E-05 -3.7642139E-05 1.4650704E-05 59 1.6021908E-04 -7.1998760E-05 2.7358081E-05 60 3.0196852E-04 -1.3554211E-04 5.2408518E-05 61 5.6877375E-04 -2.5617043E-04 9.7866986E-05 62 1.0567480E-03 -4.7679171E-04 1.8387767E-04 63 1.9372543E-03 -8.7908272E-04 3.3711736E-04 64 3.4574246E-03 -1.5805017E-03 6.0990057E-04 65 5.9547331E-03 -2.7601610E-03 1.0637297E-03 66 9.6683063E-03 -4.5755377E-03 1.7752151E-03 67 1.4287122E-02 -6.9718370E-03 2.7129971E-03 68 1.8271981E-02 -9.2635372E-03 3.6400259E-03 69 1.8944686E-02 -1.0072051E-02 3.9880253E-03 70 1.3928884E-02 -6.9746924E-03 2.7271099E-03 71 6.2074435E-03 3.5786428E-04 -5.6542684E-04 72 1.4260094E-03 7.3608156E-03 -3.8252188E-03 73 1.3877441E-04 9.8654277E-03 -5.6289010E-03 74 1.3356024E-05 6.2496421E-03 -3.9163927E-03 75 -5.6496679E-07 1.7795272E-03 7.2931397E-04 76 1.5880484E-07 2.2834421E-04 3.5767021E-03 77 -6.0095411E-07 1.3295800E-05 3.4167509E-03 78 1.2760216E-07 5.8140669E-06 1.8540481E-03 79 -1.4970712E-07 -1.0540374E-06 5.8930277E-04 80 6.4517681E-08 1.1644072E-06 9.8576526E-05 81 -4.2848924E-08 -5.8241251E-07 1.2646375E-05 82 2.3392053E-08 3.4809652E-07 1.3758121E-06 83 -1.3107895E-08 -1.9484906E-07 5.4479325E-07 84 6.9997098E-09 1.0277801E-07 -1.3494636E-07 85 -3.4665369E-09 -5.0217526E-08 8.0186371E-08 86 1.4985240E-09 2.1163217E-08 -3.4069833E-08 87 -4.9998265E-10 -6.7940573E-09 1.1028896E-08 88 9.5036818E-11 1.2208533E-09 -1.9793314E-09 3D- 4D- -1.2367343E+01 -4.3446940E-01 ------------ ------------ *** Large-Component *** 1 -7.6831994E-08 -2.3089527E-08 2 7.0877184E-08 2.0912365E-08 3 -2.2159659E-07 -6.5642340E-08 4 1.2028456E-08 8.4682004E-10 5 -4.7959969E-07 -1.3940478E-07 6 -4.5423322E-07 -1.4756096E-07 7 -1.5042369E-06 -4.3533355E-07 8 -2.6764135E-06 -8.4380769E-07 9 -6.7435243E-06 -1.9735249E-06 10 -1.5352716E-05 -4.7581241E-06 11 -4.0247746E-05 -1.1952995E-05 12 -1.0673099E-04 -3.2678721E-05 13 -3.0345440E-04 -9.1123569E-05 14 -8.7390634E-04 -2.6614287E-04 15 -2.5631504E-03 -7.7563777E-04 16 -7.3279745E-03 -2.2353685E-03 17 -1.9700959E-02 -6.0124296E-03 18 -4.7958049E-02 -1.4770274E-02 19 -1.0424981E-01 -3.2398533E-02 20 -1.8766010E-01 -5.8502306E-02 21 -2.6538303E-01 -8.0246860E-02 22 -2.8933286E-01 -8.2252628E-02 23 -2.1158360E-01 -2.7928629E-02 24 -8.9037490E-02 9.6661605E-02 25 -2.0110937E-02 2.1648042E-01 26 -2.3669385E-03 2.7100350E-01 27 -6.6226069E-04 2.5748648E-01 28 -1.5806155E-04 2.0152731E-01 29 -2.2228012E-04 1.2866023E-01 30 -1.2775877E-05 6.1595099E-02 31 -6.0050859E-05 1.7816184E-02 32 2.5512549E-05 2.1646450E-03 33 -1.8072195E-05 3.9068388E-05 34 1.0265073E-05 1.0587588E-05 35 -4.5830764E-06 -4.7844180E-06 36 1.1834818E-06 1.2840992E-06 *** Small-Component *** 37 -1.1004476E-08 -2.6229239E-09 38 3.7217831E-09 -1.4023724E-09 39 -3.3255304E-08 -4.6110009E-09 40 -1.8502098E-08 -1.4992473E-08 41 -1.1021146E-07 -1.8669186E-08 42 -1.5938696E-07 -6.9779031E-08 43 -4.8726912E-07 -1.1617657E-07 44 -9.7613133E-07 -3.3913989E-07 45 -2.5436735E-06 -7.0668957E-07 46 -5.7883450E-06 -1.8373393E-06 47 -1.4431212E-05 -4.2411532E-06 48 -3.4320204E-05 -1.0554256E-05 49 -8.3552122E-05 -2.5049240E-05 50 -1.9788537E-04 -6.0303536E-05 51 -4.6444712E-04 -1.4051589E-04 52 -1.0428807E-03 -3.1815487E-04 53 -2.1764168E-03 -6.6419456E-04 54 -4.0811270E-03 -1.2569446E-03 55 -6.8019649E-03 -2.1139717E-03 56 -9.3633020E-03 -2.9193454E-03 57 -1.0110327E-02 -3.0576872E-03 58 -8.4087107E-03 -2.3910006E-03 59 -4.6875773E-03 -6.1914663E-04 60 -1.5021824E-03 1.6335011E-03 61 -2.5744899E-04 2.7885932E-03 62 -2.2362891E-05 2.6606898E-03 63 -4.5142562E-06 1.9266724E-03 64 -6.7300142E-07 1.1492425E-03 65 -8.5386021E-07 5.5916705E-04 66 1.7741370E-08 2.0400977E-04 67 -1.2419384E-07 4.4967352E-05 68 6.6226088E-08 4.1594186E-06 69 -2.1456367E-08 5.5750947E-08 70 1.8095530E-08 9.8445541E-09 71 -4.6593346E-09 -3.8503333E-09 72 3.6455607E-09 -3.1808364E-11 3D+ 4D+ -1.2182054E+01 -4.1807779E-01 ------------ ------------ *** Large-Component *** 1 -1.9528592E-08 -5.9056142E-09 2 5.8647739E-09 2.0209659E-09 3 -8.1757628E-08 -2.5233887E-08 4 -1.1630280E-07 -3.3202227E-08 5 -4.3585299E-07 -1.3383971E-07 6 -1.2133146E-06 -3.5752563E-07 7 -3.4948105E-06 -1.0582035E-06 8 -1.0512884E-05 -3.1317121E-06 9 -3.0406980E-05 -9.1498793E-06 10 -9.0436747E-05 -2.7064541E-05 11 -2.6161921E-04 -7.8617842E-05 12 -7.5727618E-04 -2.2732748E-04 13 -2.1369270E-03 -6.4339544E-04 14 -5.8613174E-03 -1.7678659E-03 15 -1.5042407E-02 -4.5548891E-03 16 -3.5409735E-02 -1.0776168E-02 17 -7.5546445E-02 -2.3219657E-02 18 -1.4038016E-01 -4.3450550E-02 19 -2.1342208E-01 -6.5205483E-02 20 -2.6434079E-01 -7.7823991E-02 21 -2.5233831E-01 -6.5701199E-02 22 -1.6165670E-01 2.5305577E-03 23 -6.3539219E-02 1.1391003E-01 24 -1.4290105E-02 2.0761824E-01 25 -2.0896401E-03 2.4851855E-01 26 -5.0139969E-04 2.3782359E-01 27 -2.6678700E-04 1.9356791E-01 28 -1.4929985E-04 1.3359370E-01 29 -9.0404120E-05 7.4141207E-02 30 -2.7762566E-05 2.8760078E-02 31 -1.0377047E-05 6.1229659E-03 32 1.9389059E-06 4.4255996E-04 33 -1.5886086E-06 2.3295462E-05 34 8.7690240E-07 -9.1826676E-06 35 -3.7337531E-07 3.9988632E-06 36 9.0026503E-08 -9.7934517E-07 *** Small-Component *** 37 -3.7039005E-08 -1.1283912E-08 38 -2.4647807E-09 -4.6174205E-12 39 -1.0937427E-07 -3.4398862E-08 40 -1.8113220E-07 -5.1355515E-08 41 -4.6098513E-07 -1.4258510E-07 42 -1.1402725E-06 -3.3493799E-07 43 -2.5918575E-06 -7.8574323E-07 44 -6.3721546E-06 -1.8961633E-06 45 -1.4700080E-05 -4.4230367E-06 46 -3.4886291E-05 -1.0434483E-05 47 -7.9917314E-05 -2.4007357E-05 48 -1.8260557E-04 -5.4793427E-05 49 -4.0524813E-04 -1.2196943E-04 50 -8.7195195E-04 -2.6289958E-04 51 -1.7513435E-03 -5.3014134E-04 52 -3.2210667E-03 -9.7996075E-04 53 -5.3633397E-03 -1.6479928E-03 54 -7.7711805E-03 -2.4047514E-03 55 -9.2052510E-03 -2.8118509E-03 56 -8.8796144E-03 -2.6137734E-03 57 -6.6004866E-03 -1.7184359E-03 58 -3.2921379E-03 5.1104072E-05 59 -1.0073122E-03 1.8050313E-03 60 -1.7634794E-04 2.5612498E-03 61 -2.0071740E-05 2.3865584E-03 62 -3.7484036E-06 1.7778029E-03 63 -1.5524920E-06 1.1263514E-03 64 -6.7621096E-07 6.0511235E-04 65 -3.1878387E-07 2.6140834E-04 66 -7.6169539E-08 7.8932798E-05 67 -2.2186131E-08 1.3081047E-05 68 3.2349212E-09 7.3589082E-07 69 -2.0624731E-09 3.0203083E-08 70 8.8656782E-10 -9.2794782E-09 71 -2.9381067E-10 3.1481029E-09 72 5.5130690E-11 -6.0085221E-10 RADIAL MOMENTS Sym Orb S+ 1 4.71136E+03 4.70547E+01 3.26185E-02 1.43736E-03 7.99121E-05 5.37134E-06 2 5.27154E+02 1.08145E+01 1.41301E-01 2.36047E-02 4.49323E-03 9.64531E-04 3 9.93894E+01 3.76387E+00 3.88110E-01 1.72414E-01 8.46984E-02 4.56565E-02 4 1.71463E+01 1.37911E+00 9.88821E-01 1.10753E+00 1.36962E+00 1.86101E+00 5 1.00691E+00 3.51311E-01 3.60682E+00 1.51194E+01 7.25361E+01 3.94694E+02 P- 1 1.69505E+02 1.07565E+01 1.20394E-01 1.78028E-02 3.12975E-03 6.39537E-04 2 3.17367E+01 3.65825E+00 3.81457E-01 1.69169E-01 8.39424E-02 4.61987E-02 3 5.11261E+00 1.25785E+00 1.07145E+00 1.31601E+00 1.80900E+00 2.77347E+00 P+ 1 1.40894E+02 1.01687E+01 1.25218E-01 1.91314E-02 3.46381E-03 7.27608E-04 2 2.66244E+01 3.51928E+00 3.91714E-01 1.78191E-01 9.06579E-02 5.11417E-02 3 4.31823E+00 1.21739E+00 1.10054E+00 1.38894E+00 1.96324E+00 3.09785E+00 D- 1 1.40657E+01 3.33193E+00 3.67347E-01 1.61072E-01 8.27003E-02 4.89962E-02 2 1.47921E+00 8.78959E-01 1.53618E+00 2.89661E+00 6.60482E+00 1.80862E+01 D+ 1 1.37010E+01 3.29540E+00 3.70750E-01 1.63921E-01 8.48234E-02 5.06341E-02 2 1.42438E+00 8.64867E-01 1.56148E+00 2.99835E+00 6.97596E+00 1.95208E+01 ******************************************************************************************* ******************************************************************************************* Pd [Kr]4d(10) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 46.0 Atomic Mass = 106.0 Nuclear Radius = 1.104290E-04 Speed of Light = 137.0359955 S+ P- P+ D- D+ Number of Closed Shells 4 3 3 2 2 Open Shells 0 0 0 0 0 ENERGIES Total Energy = -5.04440071174776E+03 Mass Energy = -5.04421866298029E+03 Kinetic Energy = 1.03138488146297E+04 Potential Energy = -1.03140308633972E+04 NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 2.4700000E+08 1.0000000E+00 1.0000000E+00 2 1.3984373E+08 1.0000000E+00 1.0000000E+00 3 7.9175181E+07 1.0000000E+00 1.0000000E+00 4 4.4826530E+07 1.0000000E+00 1.0000000E+00 5 2.5379390E+07 1.0000000E+00 1.0000000E+00 6 1.4369023E+07 1.0000000E+00 1.0000000E+00 7 8.1352946E+06 1.0000000E+00 1.0000000E+00 8 4.6059513E+06 1.0000000E+00 1.0000000E+00 9 2.6077466E+06 1.0000000E+00 1.0000000E+00 10 1.4764252E+06 1.0000000E+00 1.0000000E+00 11 8.3590612E+05 1.0000000E+00 1.0000000E+00 12 4.7326410E+05 1.0000000E+00 1.0000000E+00 13 2.6794744E+05 1.0000000E+00 1.0000000E+00 14 1.5170352E+05 1.0000000E+00 1.0000000E+00 15 8.5889827E+04 1.0000000E+00 1.0000000E+00 16 4.8628154E+04 1.0000000E+00 1.0000000E+00 17 2.7531751E+04 1.0000000E+00 1.0000000E+00 18 1.5587623E+04 1.0000000E+00 1.0000000E+00 19 8.8252283E+03 1.0000000E+00 1.0000000E+00 20 4.9965703E+03 1.0000000E+00 1.0000000E+00 21 2.8289030E+03 1.0000000E+00 1.0000000E+00 22 1.6016371E+03 1.0000000E+00 1.0000000E+00 23 9.0679719E+02 1.0000000E+00 1.0000000E+00 24 5.1340042E+02 1.0000000E+00 1.0000000E+00 25 2.9067138E+02 1.0000000E+00 1.0000000E+00 26 1.6456911E+02 1.0000000E+00 1.0000000E+00 27 9.3173924E+01 1.0000000E+00 1.0000000E+00 28 5.2752184E+01 1.0000000E+00 1.0000000E+00 29 2.9866649E+01 1.0000000E+00 1.0000000E+00 30 1.6909570E+01 1.0000000E+00 1.0000000E+00 31 9.5736734E+00 1.0000000E+00 1.0000000E+00 32 5.4203167E+00 1.0000000E+00 1.0000000E+00 33 3.0688151E+00 1.0000000E+00 1.0000000E+00 34 1.7374678E+00 1.0000000E+00 1.0000000E+00 35 9.8370036E-01 1.0000000E+00 1.0000000E+00 36 5.5694061E-01 1.0000000E+00 1.0000000E+00 37 3.1532248E-01 1.0000000E+00 1.0000000E+00 38 1.7852580E-01 1.0000000E+00 1.0000000E+00 39 1.0107577E-01 1.0000000E+00 1.0000000E+00 40 5.7225962E-02 1.0000000E+00 1.0000000E+00 41 3.2399564E-02 1.0000000E+00 1.0000000E+00 42 1.8343627E-02 1.0000000E+00 1.0000000E+00 43 1.0385592E-02 1.0000000E+00 1.0000000E+00 44 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.3985048E+08 1.0000000E+00 1.0000000E+00 3 7.8389406E+07 1.0000000E+00 1.0000000E+00 4 4.3939063E+07 1.0000000E+00 1.0000000E+00 5 2.4628854E+07 1.0000000E+00 1.0000000E+00 6 1.3805038E+07 1.0000000E+00 1.0000000E+00 7 7.7380410E+06 1.0000000E+00 1.0000000E+00 8 4.3373497E+06 1.0000000E+00 1.0000000E+00 9 2.4311841E+06 1.0000000E+00 1.0000000E+00 10 1.3627345E+06 1.0000000E+00 1.0000000E+00 11 7.6384401E+05 1.0000000E+00 1.0000000E+00 12 4.2815211E+05 1.0000000E+00 1.0000000E+00 13 2.3998909E+05 1.0000000E+00 1.0000000E+00 14 1.3451940E+05 1.0000000E+00 1.0000000E+00 15 7.5401213E+04 1.0000000E+00 1.0000000E+00 16 4.2264112E+04 1.0000000E+00 1.0000000E+00 17 2.3690005E+04 1.0000000E+00 1.0000000E+00 18 1.3278792E+04 1.0000000E+00 1.0000000E+00 19 7.4430679E+03 1.0000000E+00 1.0000000E+00 20 4.1720105E+03 1.0000000E+00 1.0000000E+00 21 2.3385077E+03 1.0000000E+00 1.0000000E+00 22 1.3107873E+03 1.0000000E+00 1.0000000E+00 23 7.3472638E+02 1.0000000E+00 1.0000000E+00 24 4.1183101E+02 1.0000000E+00 1.0000000E+00 25 2.3084074E+02 1.0000000E+00 1.0000000E+00 26 1.2939154E+02 1.0000000E+00 1.0000000E+00 27 7.2526928E+01 1.0000000E+00 1.0000000E+00 28 4.0653009E+01 1.0000000E+00 1.0000000E+00 29 2.2786945E+01 1.0000000E+00 1.0000000E+00 30 1.2772606E+01 1.0000000E+00 1.0000000E+00 31 7.1593392E+00 1.0000000E+00 1.0000000E+00 32 4.0129740E+00 1.0000000E+00 1.0000000E+00 33 2.2493641E+00 1.0000000E+00 1.0000000E+00 34 1.2608203E+00 1.0000000E+00 1.0000000E+00 35 7.0671871E-01 1.0000000E+00 1.0000000E+00 36 3.9613207E-01 1.0000000E+00 1.0000000E+00 37 2.2204112E-01 1.0000000E+00 1.0000000E+00 38 1.2445915E-01 1.0000000E+00 1.0000000E+00 39 6.9762212E-02 1.0000000E+00 1.0000000E+00 40 3.9103322E-02 1.0000000E+00 1.0000000E+00 41 2.1918310E-02 1.0000000E+00 1.0000000E+00 42 1.2285716E-02 1.0000000E+00 1.0000000E+00 43 6.8864261E-03 1.0000000E+00 1.0000000E+00 44 3.8600000E-03 1.0000000E+00 1.0000000E+00 P+ 1 2.0100000E+07 1.0000000E+00 1.0000000E+00 2 1.1922144E+07 1.0000000E+00 1.0000000E+00 3 7.0715183E+06 1.0000000E+00 1.0000000E+00 4 4.1944110E+06 1.0000000E+00 1.0000000E+00 5 2.4878792E+06 1.0000000E+00 1.0000000E+00 6 1.4756644E+06 1.0000000E+00 1.0000000E+00 7 8.7527777E+05 1.0000000E+00 1.0000000E+00 8 5.1916357E+05 1.0000000E+00 1.0000000E+00 9 3.0793745E+05 1.0000000E+00 1.0000000E+00 10 1.8265048E+05 1.0000000E+00 1.0000000E+00 11 1.0833758E+05 1.0000000E+00 1.0000000E+00 12 6.4259514E+04 1.0000000E+00 1.0000000E+00 13 3.8114984E+04 1.0000000E+00 1.0000000E+00 14 2.2607579E+04 1.0000000E+00 1.0000000E+00 15 1.3409493E+04 1.0000000E+00 1.0000000E+00 16 7.9537267E+03 1.0000000E+00 1.0000000E+00 17 4.7176853E+03 1.0000000E+00 1.0000000E+00 18 2.7982549E+03 1.0000000E+00 1.0000000E+00 19 1.6597611E+03 1.0000000E+00 1.0000000E+00 20 9.8447319E+02 1.0000000E+00 1.0000000E+00 21 5.8393190E+02 1.0000000E+00 1.0000000E+00 22 3.4635424E+02 1.0000000E+00 1.0000000E+00 23 2.0543707E+02 1.0000000E+00 1.0000000E+00 24 1.2185325E+02 1.0000000E+00 1.0000000E+00 25 7.2276219E+01 1.0000000E+00 1.0000000E+00 26 4.2870025E+01 1.0000000E+00 1.0000000E+00 27 2.5427991E+01 1.0000000E+00 1.0000000E+00 28 1.5082396E+01 1.0000000E+00 1.0000000E+00 29 8.9459951E+00 1.0000000E+00 1.0000000E+00 30 5.3062409E+00 1.0000000E+00 1.0000000E+00 31 3.1473517E+00 1.0000000E+00 1.0000000E+00 32 1.8668249E+00 1.0000000E+00 1.0000000E+00 33 1.1072913E+00 1.0000000E+00 1.0000000E+00 34 6.5678041E-01 1.0000000E+00 1.0000000E+00 35 3.8956371E-01 1.0000000E+00 1.0000000E+00 36 2.3106640E-01 1.0000000E+00 1.0000000E+00 37 1.3705507E-01 1.0000000E+00 1.0000000E+00 38 8.1293050E-02 1.0000000E+00 1.0000000E+00 39 4.8218281E-02 1.0000000E+00 1.0000000E+00 40 2.8600263E-02 1.0000000E+00 1.0000000E+00 41 1.6964003E-02 1.0000000E+00 1.0000000E+00 42 1.0062054E-02 1.0000000E+00 1.0000000E+00 43 5.9682218E-03 1.0000000E+00 1.0000000E+00 44 3.5400000E-03 1.0000000E+00 1.0000000E+00 D- 1 8.2000000E+05 1.0000000E+00 1.0000000E+00 2 4.7626832E+05 1.0000000E+00 1.0000000E+00 3 2.7662380E+05 1.0000000E+00 1.0000000E+00 4 1.6066726E+05 1.0000000E+00 1.0000000E+00 5 9.3317959E+04 1.0000000E+00 1.0000000E+00 6 5.4200473E+04 1.0000000E+00 1.0000000E+00 7 3.1480449E+04 1.0000000E+00 1.0000000E+00 8 1.8284318E+04 1.0000000E+00 1.0000000E+00 9 1.0619807E+04 1.0000000E+00 1.0000000E+00 10 6.1681434E+03 1.0000000E+00 1.0000000E+00 11 3.5825504E+03 1.0000000E+00 1.0000000E+00 12 2.0807991E+03 1.0000000E+00 1.0000000E+00 13 1.2085594E+03 1.0000000E+00 1.0000000E+00 14 7.0194945E+02 1.0000000E+00 1.0000000E+00 15 4.0770279E+02 1.0000000E+00 1.0000000E+00 16 2.3679991E+02 1.0000000E+00 1.0000000E+00 17 1.3753695E+02 1.0000000E+00 1.0000000E+00 18 7.9883525E+01 1.0000000E+00 1.0000000E+00 19 4.6397552E+01 1.0000000E+00 1.0000000E+00 20 2.6948395E+01 1.0000000E+00 1.0000000E+00 21 1.5652033E+01 1.0000000E+00 1.0000000E+00 22 9.0909360E+00 1.0000000E+00 1.0000000E+00 23 5.2801523E+00 1.0000000E+00 1.0000000E+00 24 3.0667918E+00 1.0000000E+00 1.0000000E+00 25 1.7812388E+00 1.0000000E+00 1.0000000E+00 26 1.0345702E+00 1.0000000E+00 1.0000000E+00 27 6.0089395E-01 1.0000000E+00 1.0000000E+00 28 3.4900823E-01 1.0000000E+00 1.0000000E+00 29 2.0270923E-01 1.0000000E+00 1.0000000E+00 30 1.1773657E-01 1.0000000E+00 1.0000000E+00 31 6.8383167E-02 1.0000000E+00 1.0000000E+00 32 3.9717971E-02 1.0000000E+00 1.0000000E+00 33 2.3068794E-02 1.0000000E+00 1.0000000E+00 34 1.3398703E-02 1.0000000E+00 1.0000000E+00 35 7.7821678E-03 1.0000000E+00 1.0000000E+00 36 4.5200000E-03 1.0000000E+00 1.0000000E+00 D+ 1 1.6500000E+05 1.0000000E+00 1.0000000E+00 2 9.9977070E+04 1.0000000E+00 1.0000000E+00 3 6.0578269E+04 1.0000000E+00 1.0000000E+00 4 3.6705684E+04 1.0000000E+00 1.0000000E+00 5 2.2240768E+04 1.0000000E+00 1.0000000E+00 6 1.3476162E+04 1.0000000E+00 1.0000000E+00 7 8.1654983E+03 1.0000000E+00 1.0000000E+00 8 4.9476521E+03 1.0000000E+00 1.0000000E+00 9 2.9978894E+03 1.0000000E+00 1.0000000E+00 10 1.8164861E+03 1.0000000E+00 1.0000000E+00 11 1.1006482E+03 1.0000000E+00 1.0000000E+00 12 6.6690656E+02 1.0000000E+00 1.0000000E+00 13 4.0409311E+02 1.0000000E+00 1.0000000E+00 14 2.4484876E+02 1.0000000E+00 1.0000000E+00 15 1.4835916E+02 1.0000000E+00 1.0000000E+00 16 8.9894024E+01 1.0000000E+00 1.0000000E+00 17 5.4468734E+01 1.0000000E+00 1.0000000E+00 18 3.3003784E+01 1.0000000E+00 1.0000000E+00 19 1.9997707E+01 1.0000000E+00 1.0000000E+00 20 1.2117043E+01 1.0000000E+00 1.0000000E+00 21 7.3419786E+00 1.0000000E+00 1.0000000E+00 22 4.4486637E+00 1.0000000E+00 1.0000000E+00 23 2.6955416E+00 1.0000000E+00 1.0000000E+00 24 1.6332869E+00 1.0000000E+00 1.0000000E+00 25 9.8964389E-01 1.0000000E+00 1.0000000E+00 26 5.9964664E-01 1.0000000E+00 1.0000000E+00 27 3.6333887E-01 1.0000000E+00 1.0000000E+00 28 2.2015488E-01 1.0000000E+00 1.0000000E+00 29 1.3339661E-01 1.0000000E+00 1.0000000E+00 30 8.0827890E-02 1.0000000E+00 1.0000000E+00 31 4.8975367E-02 1.0000000E+00 1.0000000E+00 32 2.9675234E-02 1.0000000E+00 1.0000000E+00 33 1.7980866E-02 1.0000000E+00 1.0000000E+00 34 1.0894996E-02 1.0000000E+00 1.0000000E+00 35 6.6015138E-03 1.0000000E+00 1.0000000E+00 36 4.0000000E-03 1.0000000E+00 1.0000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ -9.0009795E+02 -1.3444823E+02 -2.5542805E+01 -3.8423413E+00 ------------ ------------ ------------ ------------ *** Large-Component *** 1 -1.5777983E-06 5.3330830E-07 2.3075169E-07 -9.4987347E-08 2 7.0574289E-06 -2.3847930E-06 -1.0318074E-06 4.2473155E-07 3 2.0406123E-07 -6.9857364E-08 -3.1677722E-08 1.3703808E-08 4 1.4920811E-05 -5.0454759E-06 -2.1816715E-06 8.9735674E-07 5 8.9881056E-06 -3.0450168E-06 -1.3233010E-06 5.4729259E-07 6 3.0081437E-05 -1.0187628E-05 -4.4038416E-06 1.8103816E-06 7 3.2018406E-05 -1.0862584E-05 -4.7174036E-06 1.9491467E-06 8 6.6647632E-05 -2.2628444E-05 -9.7819445E-06 4.0200350E-06 9 9.1206137E-05 -3.1022504E-05 -1.3474918E-05 5.5668822E-06 10 1.6301955E-04 -5.5550677E-05 -2.4020322E-05 9.8698033E-06 11 2.5249755E-04 -8.6211924E-05 -3.7467744E-05 1.5481092E-05 12 4.3632136E-04 -1.4939417E-04 -6.4630566E-05 2.6554478E-05 13 7.2678031E-04 -2.4941161E-04 -1.0847691E-04 4.4830098E-05 14 1.2729626E-03 -4.3844864E-04 -1.8982203E-04 7.7996718E-05 15 2.2313055E-03 -7.7074617E-04 -3.3552407E-04 1.3868493E-04 16 4.0164026E-03 -1.3942415E-03 -6.0430687E-04 2.4836993E-04 17 7.2923263E-03 -2.5438454E-03 -1.1088156E-03 4.5838493E-04 18 1.3396158E-02 -4.7142217E-03 -2.0475220E-03 8.4197809E-04 19 2.4620498E-02 -8.7675543E-03 -3.8322756E-03 1.5848796E-03 20 4.4853397E-02 -1.6316491E-02 -7.1216763E-03 2.9317910E-03 21 7.9521960E-02 -2.9931460E-02 -1.3186859E-02 5.4613654E-03 22 1.3337727E-01 -5.3310870E-02 -2.3592144E-02 9.7384798E-03 23 2.0182985E-01 -8.9195973E-02 -4.0257428E-02 1.6754171E-02 24 2.5360681E-01 -1.3251436E-01 -6.1090181E-02 2.5404673E-02 25 2.3000864E-01 -1.5087578E-01 -7.2932772E-02 3.0824929E-02 26 1.2003844E-01 -7.3206875E-02 -3.5830621E-02 1.4910391E-02 27 2.5068425E-02 1.6723600E-01 1.0337793E-01 -4.5131058E-02 28 1.5580673E-03 4.4805113E-01 3.5473532E-01 -1.6615795E-01 29 6.9959162E-05 4.0914491E-01 4.2743011E-01 -2.0779451E-01 30 1.3335456E-05 1.4074151E-01 6.3724176E-02 -3.5779180E-02 31 -9.4235908E-05 1.4867982E-02 -5.4479714E-01 3.7509472E-01 32 3.1600246E-05 1.2423996E-03 -6.0242147E-01 6.5222797E-01 33 -3.2708260E-05 -8.7740508E-06 -1.6471643E-01 1.1836161E-01 34 2.8718216E-05 -1.3648314E-04 -1.8966822E-02 -5.1832789E-01 35 -1.8843683E-05 -1.4091343E-05 2.1105396E-03 -5.8510356E-01 36 1.5150714E-05 -4.4281082E-05 -3.7143094E-03 -2.5875525E-01 37 -1.0948848E-05 2.3146809E-05 2.4253676E-03 -4.4952090E-02 38 7.9726593E-06 -1.9813103E-05 -1.9223763E-03 -3.0516203E-03 39 -5.6278106E-06 1.4117767E-05 1.3779316E-03 -1.0939967E-03 40 3.7939081E-06 -9.7254526E-06 -9.4814047E-04 3.5647882E-04 41 -2.3553948E-06 6.0929963E-06 5.9513659E-04 -2.6956028E-04 42 1.2585486E-06 -3.2736138E-06 -3.2026914E-04 1.4765854E-04 43 -5.0677794E-07 1.3220990E-06 1.2950641E-04 -6.0791339E-05 44 1.1203268E-07 -2.9233793E-07 -2.8650988E-05 1.3587325E-05 *** Small-Component *** 45 -2.7620430E-06 9.3301827E-07 4.0186647E-07 -1.6457496E-07 46 1.9304330E-06 -6.5496087E-07 -2.7545311E-07 1.0958606E-07 47 1.5583625E-05 -5.2534038E-06 -2.2925364E-06 9.5323635E-07 48 1.9245577E-05 -6.5094834E-06 -2.7838333E-06 1.1304198E-06 49 4.2239459E-05 -1.4239939E-05 -6.2168014E-06 2.5861591E-06 50 6.0155437E-05 -2.0337356E-05 -8.7240939E-06 3.5555015E-06 51 9.9897265E-05 -3.3687025E-05 -1.4693119E-05 6.1055965E-06 52 1.4913136E-04 -5.0410771E-05 -2.1663671E-05 8.8477694E-06 53 2.3068011E-04 -7.7820481E-05 -3.3900933E-05 1.4066984E-05 54 3.4733942E-04 -1.1741912E-04 -5.0529354E-05 2.0669674E-05 55 5.2701828E-04 -1.7789653E-04 -7.7414496E-05 3.2081450E-05 56 7.9364991E-04 -2.6841897E-04 -1.1564216E-04 4.7364772E-05 57 1.1966682E-03 -4.0438857E-04 -1.7583638E-04 7.2792185E-05 58 1.7986665E-03 -6.0917126E-04 -2.6272838E-04 1.0772084E-04 59 2.7008393E-03 -9.1504186E-04 -3.9771792E-04 1.6451325E-04 60 4.0415268E-03 -1.3741491E-03 -5.9340195E-04 2.4352219E-04 61 6.0234625E-03 -2.0546092E-03 -8.9334663E-04 3.6933802E-04 62 8.9074008E-03 -3.0625506E-03 -1.3253604E-03 5.4441629E-04 63 1.3010918E-02 -4.5237554E-03 -1.9714764E-03 8.1508011E-04 64 1.8592115E-02 -6.6034779E-03 -2.8723458E-03 1.1814656E-03 65 2.5602342E-02 -9.4116820E-03 -4.1340163E-03 1.7113247E-03 66 3.3065486E-02 -1.2917994E-02 -5.6991336E-03 2.3509477E-03 67 3.8279364E-02 -1.6551487E-02 -7.4501520E-03 3.0991258E-03 68 3.6607183E-02 -1.8741218E-02 -8.6186944E-03 3.5823703E-03 69 2.5166705E-02 -1.6214963E-02 -7.8253995E-03 3.3063965E-03 70 9.9242154E-03 -6.0106111E-03 -2.9482073E-03 1.2277058E-03 71 1.5630294E-03 1.0126834E-02 6.2329876E-03 -2.7186247E-03 72 7.2609302E-05 2.0570932E-02 1.6238258E-02 -7.6023228E-03 73 2.5525523E-06 1.4164236E-02 1.4762913E-02 -7.1753699E-03 74 2.5629462E-07 3.6682188E-03 1.6678112E-03 -9.3721392E-04 75 -1.7952321E-06 2.9177110E-04 -1.0650165E-02 7.3281369E-03 76 4.2323159E-07 1.8176380E-05 -8.8679014E-03 9.5961527E-03 77 -3.2949828E-07 -5.5850516E-09 -1.8245213E-03 1.3115226E-03 78 2.1468618E-07 -1.2065957E-06 -1.5820874E-04 -4.3177160E-03 79 -9.9224450E-08 -3.9329170E-08 1.3328718E-05 -3.6676518E-03 80 5.7298466E-08 -2.4468278E-07 -1.7592701E-05 -1.2204658E-03 81 -2.8340351E-08 1.0790450E-07 8.6593912E-06 -1.5953546E-04 82 1.3596369E-08 -7.1296648E-08 -5.1699350E-06 -8.1491340E-06 83 -5.7821619E-09 4.1242384E-08 2.7938113E-06 -2.1981433E-06 84 1.9000646E-09 -2.3400580E-08 -1.4502223E-06 5.3898865E-07 85 -1.8805102E-10 1.2418647E-08 6.8747449E-07 -3.0669520E-07 86 -3.4668465E-10 -5.8429633E-09 -2.7987819E-07 1.2642891E-07 87 3.0242076E-10 2.1572454E-09 8.5855625E-08 -3.9174665E-08 88 -9.9892233E-11 -4.6022563E-10 -1.4477837E-08 6.5898319E-09 2P- 3P- 4P- -1.2430165E+02 -2.1490215E+01 -2.5202568E+00 ------------ ------------ ------------ *** Large-Component *** 1 -1.0296620E-07 4.6106306E-08 -1.7904712E-08 2 5.2781897E-09 -2.2190221E-09 8.6123351E-10 3 9.1928018E-07 -4.1231953E-07 1.6012177E-07 4 7.2652261E-07 -3.2493426E-07 1.2618199E-07 5 2.3730546E-06 -1.0646131E-06 4.1343830E-07 6 2.7016823E-06 -1.2088925E-06 4.6945308E-07 7 5.3762458E-06 -2.4125092E-06 9.3689479E-07 8 7.2694139E-06 -3.2527186E-06 1.2631426E-06 9 1.2256245E-05 -5.5016812E-06 2.1365941E-06 10 1.7860090E-05 -7.9896579E-06 3.1026766E-06 11 2.8452527E-05 -1.2779019E-05 4.9628776E-06 12 4.3007858E-05 -1.9231818E-05 7.4685447E-06 13 6.7726307E-05 -3.0445622E-05 1.1824476E-05 14 1.0542387E-04 -4.7122436E-05 1.8300633E-05 15 1.6911793E-04 -7.6135698E-05 2.9572995E-05 16 2.7550273E-04 -1.2314746E-04 4.7833248E-05 17 4.6773815E-04 -2.1105095E-04 8.1999691E-05 18 8.2918569E-04 -3.7126743E-04 1.4426537E-04 19 1.5628150E-03 -7.0765809E-04 2.7511381E-04 20 3.1260581E-03 -1.4073529E-03 5.4736050E-04 21 6.6206799E-03 -3.0186742E-03 1.1751739E-03 22 1.4524727E-02 -6.6265364E-03 2.5829252E-03 23 3.2210917E-02 -1.4970482E-02 5.8492720E-03 24 6.9421985E-02 -3.2793952E-02 1.2861216E-02 25 1.3770628E-01 -6.7464492E-02 2.6618099E-02 26 2.3329601E-01 -1.1864488E-01 4.7182753E-02 27 3.0575373E-01 -1.6333355E-01 6.5650876E-02 28 2.5643712E-01 -1.0939157E-01 4.0922344E-02 29 1.1007290E-01 1.0890980E-01 -6.3292700E-02 30 1.8823918E-02 3.8068231E-01 -2.0695789E-01 31 1.3631374E-03 4.3232017E-01 -2.7374146E-01 32 1.3985422E-04 1.8905071E-01 -2.7468025E-02 33 -5.9292962E-05 2.9208014E-02 3.3573686E-01 34 -2.8673040E-05 2.1720892E-03 4.3817680E-01 35 -1.8807713E-05 6.5010791E-04 2.8979545E-01 36 -3.5203222E-06 -7.2185282E-07 1.0030090E-01 37 -3.7876774E-06 1.5394686E-04 1.7975392E-02 38 6.0831714E-07 -7.3146380E-05 1.9631217E-03 39 -9.3096473E-07 6.3599149E-05 6.8307593E-04 40 5.4416242E-07 -4.2489762E-05 -2.1041489E-04 41 -3.4433871E-07 2.7371993E-05 1.5684161E-04 42 1.8824261E-07 -1.5383955E-05 -8.9904138E-05 43 -7.9684846E-08 6.7009707E-06 3.9755357E-05 44 1.9086306E-08 -1.6594775E-06 -9.9417366E-06 *** Small-Component *** 45 -2.0704401E-08 8.5026445E-09 -3.2985093E-09 46 4.7947705E-08 -1.8609033E-08 7.2138140E-09 47 1.1737601E-07 -5.8904416E-08 2.2903787E-08 48 2.3572742E-07 -9.4684792E-08 3.6722242E-08 49 4.2687569E-07 -2.0853585E-07 8.1063647E-08 50 6.9396961E-07 -2.8565646E-07 1.1082599E-07 51 1.1458365E-06 -5.5048707E-07 2.1395863E-07 52 1.7961498E-06 -7.5322140E-07 2.9230863E-07 53 2.8985775E-06 -1.3739056E-06 5.3395013E-07 54 4.5633928E-06 -1.9434161E-06 7.5439646E-07 55 7.4100133E-06 -3.4714503E-06 1.3490801E-06 56 1.1930788E-05 -5.1511720E-06 2.0001416E-06 57 1.9817458E-05 -9.1885305E-06 3.5709219E-06 58 3.3014138E-05 -1.4431359E-05 5.6052370E-06 59 5.6691395E-05 -2.6057354E-05 1.0127494E-05 60 9.8336421E-05 -4.3449720E-05 1.6881904E-05 61 1.7521270E-04 -8.0023661E-05 3.1108106E-05 62 3.1581514E-04 -1.4081415E-04 5.4735697E-05 63 5.8007609E-04 -2.6417507E-04 1.0273969E-04 64 1.0709890E-03 -4.8179145E-04 1.8742698E-04 65 1.9833923E-03 -9.0620305E-04 3.5284676E-04 66 3.6233468E-03 -1.6531455E-03 6.4443921E-04 67 6.4444459E-03 -2.9971310E-03 1.1711150E-03 68 1.0846820E-02 -5.1251764E-03 2.0101307E-03 69 1.6516148E-02 -8.0969039E-03 3.1949227E-03 70 2.1245644E-02 -1.0814927E-02 4.3015559E-03 71 2.0995390E-02 -1.1236506E-02 4.5178116E-03 72 1.3194534E-02 -5.6507816E-03 2.1161924E-03 73 4.1872839E-03 4.2486152E-03 -2.4635574E-03 74 4.7869511E-04 1.1103536E-02 -6.0323971E-03 75 -1.6687361E-05 9.4433921E-03 -5.9769619E-03 76 -2.7841141E-05 3.0933616E-03 -4.5226915E-04 77 -2.0203634E-05 3.5884819E-04 4.1059387E-03 78 -1.2963844E-05 2.0776432E-05 4.0128661E-03 79 -8.2199082E-06 4.9881153E-06 1.9868616E-03 80 -5.4639057E-06 3.6990804E-07 5.1445977E-04 81 -3.2473855E-06 8.0173263E-07 6.8765872E-05 82 -2.5085679E-06 -3.8158490E-08 5.3670208E-06 83 -1.0518299E-06 2.0414657E-07 1.3622095E-06 84 -1.4591074E-06 3.1199956E-08 -5.0353882E-07 85 6.8008921E-08 2.7131735E-08 1.9932972E-07 86 -1.1803693E-06 6.5820768E-08 -2.1231750E-07 87 5.1905754E-07 -3.0539507E-08 8.4548981E-08 88 -6.8277532E-07 4.4919771E-08 -8.0197305E-08 2P+ 3P+ 4P+ -1.1841233E+02 -2.0429403E+01 -2.3472954E+00 ------------ ------------ ------------ *** Large-Component *** 1 2.9031366E-08 -1.3157636E-08 5.0529176E-09 2 -3.7991172E-08 1.7360886E-08 -6.5560308E-09 3 9.5713518E-08 -4.3742392E-08 1.6521672E-08 4 -4.0464629E-08 1.9308548E-08 -6.6598666E-09 5 1.8748403E-07 -8.6585304E-08 3.2035055E-08 6 9.2499550E-08 -3.8550238E-08 1.7466791E-08 7 4.8840812E-07 -2.2634736E-07 8.3264727E-08 8 7.1999280E-07 -3.1614330E-07 1.2969622E-07 9 1.8356677E-06 -8.4638295E-07 3.1514617E-07 10 3.6551620E-06 -1.6265795E-06 6.5081478E-07 11 8.3616385E-06 -3.8318985E-06 1.4470395E-06 12 1.8315594E-05 -8.2135143E-06 3.2421230E-06 13 4.1946594E-05 -1.9144152E-05 7.3041074E-06 14 9.5821268E-05 -4.3197985E-05 1.6913373E-05 15 2.2321798E-04 -1.0169925E-04 3.9059391E-05 16 5.2111557E-04 -2.3599584E-04 9.1978877E-05 17 1.2250156E-03 -5.5884543E-04 2.1555181E-04 18 2.8663703E-03 -1.3063699E-03 5.0820253E-04 19 6.6513171E-03 -3.0559255E-03 1.1827949E-03 20 1.5108324E-02 -6.9834717E-03 2.7192822E-03 21 3.3203069E-02 -1.5590059E-02 6.0645198E-03 22 6.8893360E-02 -3.3015183E-02 1.2930378E-02 23 1.2991140E-01 -6.4290796E-02 2.5261252E-02 24 2.1156637E-01 -1.0877648E-01 4.3173582E-02 25 2.7690622E-01 -1.4923766E-01 5.9682645E-02 26 2.5330061E-01 -1.2362270E-01 4.8257214E-02 27 1.3853763E-01 2.9087683E-02 -2.3856931E-02 28 3.8213996E-02 2.5862374E-01 -1.3626996E-01 29 4.3922652E-03 4.1423280E-01 -2.4509862E-01 30 5.6664835E-04 3.0945805E-01 -1.8921461E-01 31 -7.0723975E-05 1.0224158E-01 9.6732212E-02 32 4.7885150E-06 1.5392249E-02 3.4651741E-01 33 -6.8261627E-05 1.2758376E-03 3.8573273E-01 34 1.5978403E-05 7.9337327E-04 2.5418141E-01 35 -2.7883620E-05 -1.3154695E-04 1.0232294E-01 36 1.4190479E-05 2.6647323E-04 2.2403278E-02 37 -1.3027543E-05 -1.4757693E-04 4.1014735E-03 38 8.7412589E-06 1.2654886E-04 4.2045960E-04 39 -6.3836718E-06 -8.7750749E-05 3.1758221E-04 40 4.3124776E-06 6.0611588E-05 -1.5400185E-04 41 -2.6991894E-06 -3.8169301E-05 1.0371527E-04 42 1.4581395E-06 2.0732598E-05 -5.7579414E-05 43 -5.9863249E-07 -8.5489336E-06 2.4125410E-05 44 1.3704473E-07 1.9625272E-06 -5.5977329E-06 *** Small-Component *** 45 7.4648258E-08 -3.4308486E-08 1.2800128E-08 46 -4.9823091E-08 2.4944157E-08 -7.7550639E-09 47 1.7889338E-07 -8.6386385E-08 2.9070149E-08 48 4.7570753E-08 -1.1398865E-08 1.2190280E-08 49 3.6371734E-07 -1.8000679E-07 5.7422093E-08 50 4.5537597E-07 -1.8234022E-07 8.8477619E-08 51 1.0738542E-06 -5.1754377E-07 1.7491107E-07 52 1.8642265E-06 -7.9613294E-07 3.4310525E-07 53 3.7263806E-06 -1.7444068E-06 6.2691561E-07 54 6.9245102E-06 -3.0415593E-06 1.2421995E-06 55 1.3388245E-05 -6.1598068E-06 2.2947210E-06 56 2.5260648E-05 -1.1251901E-05 4.4738982E-06 57 4.8352660E-05 -2.2051843E-05 8.3705587E-06 58 9.1503940E-05 -4.1065939E-05 1.6111896E-05 59 1.7398665E-04 -7.9065684E-05 3.0303602E-05 60 3.2803414E-04 -1.4799055E-04 5.7691954E-05 61 6.1675596E-04 -2.8046232E-04 1.0806241E-04 62 1.1449298E-03 -5.1997413E-04 2.0220717E-04 63 2.0938246E-03 -9.5886256E-04 3.7086076E-04 64 3.7275710E-03 -1.7173693E-03 6.6838935E-04 65 6.3921838E-03 -2.9921625E-03 1.1632771E-03 66 1.0312179E-02 -4.9274997E-03 1.9289232E-03 67 1.5074938E-02 -7.4408788E-03 2.9223539E-03 68 1.8989369E-02 -9.7407005E-03 3.8646440E-03 69 1.9198041E-02 -1.0326374E-02 4.1284673E-03 70 1.3550089E-02 -6.6061969E-03 2.5790495E-03 71 5.7125107E-03 1.1860714E-03 -9.7536136E-04 72 1.2140343E-03 8.1877238E-03 -4.3124374E-03 73 1.0740721E-04 1.0108372E-02 -5.9787715E-03 74 1.0686362E-05 5.8180837E-03 -3.5566123E-03 75 -1.0431067E-06 1.4805329E-03 1.3994294E-03 76 6.5997484E-08 1.7168843E-04 3.8626051E-03 77 -5.9591666E-07 1.0938595E-05 3.3116884E-03 78 1.1251444E-07 5.2603857E-06 1.6807040E-03 79 -1.4704946E-07 -6.7977644E-07 5.2108246E-04 80 5.9297777E-08 1.0523315E-06 8.7862684E-05 81 -4.1990199E-08 -4.5094759E-07 1.2390772E-05 82 2.2224068E-08 2.9809617E-07 9.7648862E-07 83 -1.2762350E-08 -1.5981419E-07 5.7010836E-07 84 6.8444861E-09 8.5392082E-08 -2.1326740E-07 85 -3.4316409E-09 -4.1674375E-08 1.1070910E-07 86 1.5071269E-09 1.7587689E-08 -4.7400344E-08 87 -5.1393642E-10 -5.6572634E-09 1.5326183E-08 88 1.0066461E-10 1.0196228E-09 -2.7471536E-09 3D- 4D- -1.3319884E+01 -3.4054939E-01 ------------ ------------ *** Large-Component *** 1 -8.7446656E-08 2.6037871E-08 2 8.1022216E-08 -2.3742460E-08 3 -2.5300465E-07 7.4397046E-08 4 1.6257813E-08 -2.1150450E-09 5 -5.4974032E-07 1.5904587E-07 6 -5.0644362E-07 1.6167628E-07 7 -1.7250531E-06 4.9724178E-07 8 -3.0063666E-06 9.3404916E-07 9 -7.7084017E-06 2.2433745E-06 10 -1.7301844E-05 5.2942953E-06 11 -4.5779107E-05 1.3494216E-05 12 -1.2036992E-04 3.6444652E-05 13 -3.4328985E-04 1.0219238E-04 14 -9.8362664E-04 2.9652562E-04 15 -2.8823031E-03 8.6436337E-04 16 -8.1856984E-03 2.4735385E-03 17 -2.1839545E-02 6.6070372E-03 18 -5.2660075E-02 1.6084367E-02 19 -1.1297713E-01 3.4839314E-02 20 -1.9860024E-01 6.1270063E-02 21 -2.7407162E-01 8.1768558E-02 22 -2.8734730E-01 7.9157698E-02 23 -1.9530892E-01 1.2456325E-02 24 -7.4325497E-02 -1.1787667E-01 25 -1.4776379E-02 -2.2639583E-01 26 -1.4333157E-03 -2.6386922E-01 27 -3.0318414E-04 -2.4099793E-01 28 4.5276940E-05 -1.8958119E-01 29 -6.4807433E-05 -1.2956661E-01 30 4.2747742E-05 -7.2234890E-02 31 -3.1571194E-05 -2.7327313E-02 32 2.1754904E-05 -5.2241635E-03 33 -1.4048957E-05 -2.3116610E-04 34 8.0036728E-06 -2.9297140E-05 35 -3.5722337E-06 1.2788533E-05 36 9.2237975E-07 -3.3936178E-06 *** Small-Component *** 37 -1.3320886E-08 3.2943698E-09 38 6.5162125E-09 5.3745791E-10 39 -4.3048737E-08 7.5286271E-09 40 -1.2965252E-08 1.3132606E-08 41 -1.3922976E-07 2.7257043E-08 42 -1.6325614E-07 7.0125822E-08 43 -5.8390939E-07 1.4414617E-07 44 -1.0734808E-06 3.6470453E-07 45 -2.9495005E-06 8.2163385E-07 46 -6.4969283E-06 2.0310649E-06 47 -1.6472715E-05 4.8119829E-06 48 -3.8688931E-05 1.1759786E-05 49 -9.4588275E-05 2.8118031E-05 50 -2.2273239E-04 6.7184046E-05 51 -5.2236546E-04 1.5661972E-04 52 -1.1650514E-03 3.5208234E-04 53 -2.4129149E-03 7.2995682E-04 54 -4.4814606E-03 1.3688363E-03 55 -7.3716327E-03 2.2733292E-03 56 -9.9093447E-03 3.0575783E-03 57 -1.0441408E-02 3.1157411E-03 58 -8.3508360E-03 2.3011051E-03 59 -4.3265186E-03 2.7621482E-04 60 -1.2533758E-03 -1.9920370E-03 61 -1.8867380E-04 -2.9163189E-03 62 -1.3176429E-05 -2.5906395E-03 63 -1.8192230E-06 -1.8032854E-03 64 4.9144334E-07 -1.0811138E-03 65 -1.6753876E-07 -5.6310528E-04 66 2.0301412E-07 -2.3925305E-04 67 -5.1907114E-08 -6.8977156E-05 68 5.9422123E-08 -1.0045806E-05 69 -1.5521313E-08 -3.3731160E-07 70 1.5732469E-08 -3.0829819E-08 71 -3.8298858E-09 1.0697880E-08 72 3.5362932E-09 -1.3522260E-09 3D+ 4D+ -1.3110491E+01 -3.1979359E-01 ------------ ------------ *** Large-Component *** 1 -2.2446469E-08 -6.5545216E-09 2 7.2122651E-09 1.7883559E-09 3 -9.4537560E-08 -2.6957202E-08 4 -1.2953832E-07 -4.0360228E-08 5 -5.0069646E-07 -1.4366382E-07 6 -1.3675896E-06 -4.1159885E-07 7 -3.9786734E-06 -1.1610165E-06 8 -1.1873552E-05 -3.5319590E-06 9 -3.4431689E-05 -1.0129419E-05 10 -1.0201747E-04 -3.0231157E-05 11 -2.9504391E-04 -8.7136551E-05 12 -8.5183916E-04 -2.5249132E-04 13 -2.3990323E-03 -7.1131894E-04 14 -6.5479986E-03 -1.9487149E-03 15 -1.6684872E-02 -4.9805225E-03 16 -3.8955526E-02 -1.1703671E-02 17 -8.2264291E-02 -2.4960343E-02 18 -1.5001981E-01 -4.5813857E-02 19 -2.2299523E-01 -6.6952849E-02 20 -2.6938193E-01 -7.7789678E-02 21 -2.4502887E-01 -5.9066435E-02 22 -1.4538420E-01 1.9455341E-02 23 -5.1874868E-02 1.3127197E-01 24 -1.0254086E-02 2.1352680E-01 25 -1.3201575E-03 2.4022579E-01 26 -1.5559681E-04 2.2231074E-01 27 -7.1818250E-05 1.8172894E-01 28 1.9648570E-05 1.3321012E-01 29 -2.2664381E-05 8.4329017E-02 30 1.5777188E-05 4.1193323E-02 31 -1.1699580E-05 1.2763705E-02 32 8.1032835E-06 1.7574458E-03 33 -5.1871733E-06 7.8756461E-05 34 2.8837608E-06 -8.9289909E-06 35 -1.2325419E-06 4.2936314E-06 36 2.9879935E-07 -1.1042222E-06 *** Small-Component *** 37 -4.2238096E-08 -1.2223004E-08 38 -1.6873905E-09 -1.4269164E-09 39 -1.2627953E-07 -3.5188942E-08 40 -2.0068180E-07 -6.2891629E-08 41 -5.2828795E-07 -1.5020379E-07 42 -1.2799315E-06 -3.8615686E-07 43 -2.9440354E-06 -8.5722765E-07 44 -7.1810402E-06 -2.1365868E-06 45 -1.6622888E-05 -4.8864965E-06 46 -3.9311563E-05 -1.1645616E-05 47 -9.0066869E-05 -2.6586675E-05 48 -2.0531666E-04 -6.0832671E-05 49 -4.5484162E-04 -1.3480531E-04 50 -9.7397673E-04 -2.8974958E-04 51 -1.9424435E-03 -5.7962483E-04 52 -3.5435781E-03 -1.0642705E-03 53 -5.8404848E-03 -1.7715627E-03 54 -8.3051084E-03 -2.5355954E-03 55 -9.6183630E-03 -2.8872216E-03 56 -9.0492667E-03 -2.6126887E-03 57 -6.4095814E-03 -1.5450391E-03 58 -2.9608597E-03 3.9563359E-04 59 -8.2242106E-04 2.0802047E-03 60 -1.2654330E-04 2.6341624E-03 61 -1.2682337E-05 2.3069290E-03 62 -1.1624431E-06 1.6618395E-03 63 -4.1866811E-07 1.0574597E-03 64 8.9527424E-08 6.0337342E-04 65 -8.0298721E-08 2.9732786E-04 66 4.3578497E-08 1.1305595E-04 67 -2.5189533E-08 2.7268059E-05 68 1.3607637E-08 2.9225120E-06 69 -6.7985888E-09 1.0199151E-07 70 2.9530019E-09 -9.0217204E-09 71 -9.8777704E-10 3.3787092E-09 72 1.8794285E-10 -6.7706376E-10 RADIAL MOMENTS Sym Orb S+ 1 4.96560E+03 4.82408E+01 3.18442E-02 1.37047E-03 7.44286E-05 4.88742E-06 2 5.59171E+02 1.11120E+01 1.37734E-01 2.24316E-02 4.16246E-03 8.70912E-04 3 1.06500E+02 3.88355E+00 3.76887E-01 1.62566E-01 7.75101E-02 4.05338E-02 4 1.86278E+01 1.42966E+00 9.56743E-01 1.03789E+00 1.24447E+00 1.64179E+00 P- 1 1.79689E+02 1.10546E+01 1.17232E-01 1.68829E-02 2.89054E-03 5.75168E-04 2 3.40265E+01 3.77918E+00 3.69707E-01 1.58880E-01 7.63551E-02 4.06778E-02 3 5.56208E+00 1.30679E+00 1.03455E+00 1.22890E+00 1.63668E+00 2.43695E+00 P+ 1 1.47987E+02 1.04220E+01 1.22157E-01 1.82043E-02 3.21421E-03 6.58284E-04 2 2.82943E+01 3.62907E+00 3.80067E-01 1.67713E-01 8.27247E-02 4.52181E-02 3 4.65169E+00 1.26212E+00 1.06448E+00 1.30172E+00 1.78652E+00 2.74433E+00 D- 1 1.50364E+01 3.44768E+00 3.54395E-01 1.49635E-01 7.38308E-02 4.19274E-02 2 1.54904E+00 8.96507E-01 1.52860E+00 2.93243E+00 6.98409E+00 2.04927E+01 D+ 1 1.46284E+01 3.40819E+00 3.57814E-01 1.52388E-01 7.57994E-02 4.33800E-02 2 1.47799E+00 8.77631E-01 1.56493E+00 3.08844E+00 7.60551E+00 2.31635E+01 ******************************************************************************************* ******************************************************************************************* Ag [Kr]5s(1)4d(10) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 47.0 Atomic Mass = 107.0 Nuclear Radius = 1.107316E-04 Speed of Light = 137.0359955 S+ P- P+ D- D+ Number of Closed Shells 4 3 3 2 2 Open Shells 1 0 0 0 0 Conf Weight Open Shell Occupation Numbers 1 1.00000000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 ENERGIES Total Energy = -5.31463384120165E+03 Mass Energy = -5.31442883588153E+03 Kinetic Energy = 1.08770440707828E+04 Potential Energy = -1.08772490761029E+04 NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 2.4700000E+08 1.0000000E+00 1.0000000E+00 2 1.3984373E+08 1.0000000E+00 1.0000000E+00 3 7.9175181E+07 1.0000000E+00 1.0000000E+00 4 4.4826530E+07 1.0000000E+00 1.0000000E+00 5 2.5379390E+07 1.0000000E+00 1.0000000E+00 6 1.4369023E+07 1.0000000E+00 1.0000000E+00 7 8.1352946E+06 1.0000000E+00 1.0000000E+00 8 4.6059513E+06 1.0000000E+00 1.0000000E+00 9 2.6077466E+06 1.0000000E+00 1.0000000E+00 10 1.4764252E+06 1.0000000E+00 1.0000000E+00 11 8.3590612E+05 1.0000000E+00 1.0000000E+00 12 4.7326410E+05 1.0000000E+00 1.0000000E+00 13 2.6794744E+05 1.0000000E+00 1.0000000E+00 14 1.5170352E+05 1.0000000E+00 1.0000000E+00 15 8.5889827E+04 1.0000000E+00 1.0000000E+00 16 4.8628154E+04 1.0000000E+00 1.0000000E+00 17 2.7531751E+04 1.0000000E+00 1.0000000E+00 18 1.5587623E+04 1.0000000E+00 1.0000000E+00 19 8.8252283E+03 1.0000000E+00 1.0000000E+00 20 4.9965703E+03 1.0000000E+00 1.0000000E+00 21 2.8289030E+03 1.0000000E+00 1.0000000E+00 22 1.6016371E+03 1.0000000E+00 1.0000000E+00 23 9.0679719E+02 1.0000000E+00 1.0000000E+00 24 5.1340042E+02 1.0000000E+00 1.0000000E+00 25 2.9067138E+02 1.0000000E+00 1.0000000E+00 26 1.6456911E+02 1.0000000E+00 1.0000000E+00 27 9.3173924E+01 1.0000000E+00 1.0000000E+00 28 5.2752184E+01 1.0000000E+00 1.0000000E+00 29 2.9866649E+01 1.0000000E+00 1.0000000E+00 30 1.6909570E+01 1.0000000E+00 1.0000000E+00 31 9.5736734E+00 1.0000000E+00 1.0000000E+00 32 5.4203167E+00 1.0000000E+00 1.0000000E+00 33 3.0688151E+00 1.0000000E+00 1.0000000E+00 34 1.7374678E+00 1.0000000E+00 1.0000000E+00 35 9.8370036E-01 1.0000000E+00 1.0000000E+00 36 5.5694061E-01 1.0000000E+00 1.0000000E+00 37 3.1532248E-01 1.0000000E+00 1.0000000E+00 38 1.7852580E-01 1.0000000E+00 1.0000000E+00 39 1.0107577E-01 1.0000000E+00 1.0000000E+00 40 5.7225962E-02 1.0000000E+00 1.0000000E+00 41 3.2399564E-02 1.0000000E+00 1.0000000E+00 42 1.8343627E-02 1.0000000E+00 1.0000000E+00 43 1.0385592E-02 1.0000000E+00 1.0000000E+00 44 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.3985048E+08 1.0000000E+00 1.0000000E+00 3 7.8389406E+07 1.0000000E+00 1.0000000E+00 4 4.3939063E+07 1.0000000E+00 1.0000000E+00 5 2.4628854E+07 1.0000000E+00 1.0000000E+00 6 1.3805038E+07 1.0000000E+00 1.0000000E+00 7 7.7380410E+06 1.0000000E+00 1.0000000E+00 8 4.3373497E+06 1.0000000E+00 1.0000000E+00 9 2.4311841E+06 1.0000000E+00 1.0000000E+00 10 1.3627345E+06 1.0000000E+00 1.0000000E+00 11 7.6384401E+05 1.0000000E+00 1.0000000E+00 12 4.2815211E+05 1.0000000E+00 1.0000000E+00 13 2.3998909E+05 1.0000000E+00 1.0000000E+00 14 1.3451940E+05 1.0000000E+00 1.0000000E+00 15 7.5401213E+04 1.0000000E+00 1.0000000E+00 16 4.2264112E+04 1.0000000E+00 1.0000000E+00 17 2.3690005E+04 1.0000000E+00 1.0000000E+00 18 1.3278792E+04 1.0000000E+00 1.0000000E+00 19 7.4430679E+03 1.0000000E+00 1.0000000E+00 20 4.1720105E+03 1.0000000E+00 1.0000000E+00 21 2.3385077E+03 1.0000000E+00 1.0000000E+00 22 1.3107873E+03 1.0000000E+00 1.0000000E+00 23 7.3472638E+02 1.0000000E+00 1.0000000E+00 24 4.1183101E+02 1.0000000E+00 1.0000000E+00 25 2.3084074E+02 1.0000000E+00 1.0000000E+00 26 1.2939154E+02 1.0000000E+00 1.0000000E+00 27 7.2526928E+01 1.0000000E+00 1.0000000E+00 28 4.0653009E+01 1.0000000E+00 1.0000000E+00 29 2.2786945E+01 1.0000000E+00 1.0000000E+00 30 1.2772606E+01 1.0000000E+00 1.0000000E+00 31 7.1593392E+00 1.0000000E+00 1.0000000E+00 32 4.0129740E+00 1.0000000E+00 1.0000000E+00 33 2.2493641E+00 1.0000000E+00 1.0000000E+00 34 1.2608203E+00 1.0000000E+00 1.0000000E+00 35 7.0671871E-01 1.0000000E+00 1.0000000E+00 36 3.9613207E-01 1.0000000E+00 1.0000000E+00 37 2.2204112E-01 1.0000000E+00 1.0000000E+00 38 1.2445915E-01 1.0000000E+00 1.0000000E+00 39 6.9762212E-02 1.0000000E+00 1.0000000E+00 40 3.9103322E-02 1.0000000E+00 1.0000000E+00 41 2.1918310E-02 1.0000000E+00 1.0000000E+00 42 1.2285716E-02 1.0000000E+00 1.0000000E+00 43 6.8864261E-03 1.0000000E+00 1.0000000E+00 44 3.8600000E-03 1.0000000E+00 1.0000000E+00 P+ 1 2.0100000E+07 1.0000000E+00 1.0000000E+00 2 1.1922144E+07 1.0000000E+00 1.0000000E+00 3 7.0715183E+06 1.0000000E+00 1.0000000E+00 4 4.1944110E+06 1.0000000E+00 1.0000000E+00 5 2.4878792E+06 1.0000000E+00 1.0000000E+00 6 1.4756644E+06 1.0000000E+00 1.0000000E+00 7 8.7527777E+05 1.0000000E+00 1.0000000E+00 8 5.1916357E+05 1.0000000E+00 1.0000000E+00 9 3.0793745E+05 1.0000000E+00 1.0000000E+00 10 1.8265048E+05 1.0000000E+00 1.0000000E+00 11 1.0833758E+05 1.0000000E+00 1.0000000E+00 12 6.4259514E+04 1.0000000E+00 1.0000000E+00 13 3.8114984E+04 1.0000000E+00 1.0000000E+00 14 2.2607579E+04 1.0000000E+00 1.0000000E+00 15 1.3409493E+04 1.0000000E+00 1.0000000E+00 16 7.9537267E+03 1.0000000E+00 1.0000000E+00 17 4.7176853E+03 1.0000000E+00 1.0000000E+00 18 2.7982549E+03 1.0000000E+00 1.0000000E+00 19 1.6597611E+03 1.0000000E+00 1.0000000E+00 20 9.8447319E+02 1.0000000E+00 1.0000000E+00 21 5.8393190E+02 1.0000000E+00 1.0000000E+00 22 3.4635424E+02 1.0000000E+00 1.0000000E+00 23 2.0543707E+02 1.0000000E+00 1.0000000E+00 24 1.2185325E+02 1.0000000E+00 1.0000000E+00 25 7.2276219E+01 1.0000000E+00 1.0000000E+00 26 4.2870025E+01 1.0000000E+00 1.0000000E+00 27 2.5427991E+01 1.0000000E+00 1.0000000E+00 28 1.5082396E+01 1.0000000E+00 1.0000000E+00 29 8.9459951E+00 1.0000000E+00 1.0000000E+00 30 5.3062409E+00 1.0000000E+00 1.0000000E+00 31 3.1473517E+00 1.0000000E+00 1.0000000E+00 32 1.8668249E+00 1.0000000E+00 1.0000000E+00 33 1.1072913E+00 1.0000000E+00 1.0000000E+00 34 6.5678041E-01 1.0000000E+00 1.0000000E+00 35 3.8956371E-01 1.0000000E+00 1.0000000E+00 36 2.3106640E-01 1.0000000E+00 1.0000000E+00 37 1.3705507E-01 1.0000000E+00 1.0000000E+00 38 8.1293050E-02 1.0000000E+00 1.0000000E+00 39 4.8218281E-02 1.0000000E+00 1.0000000E+00 40 2.8600263E-02 1.0000000E+00 1.0000000E+00 41 1.6964003E-02 1.0000000E+00 1.0000000E+00 42 1.0062054E-02 1.0000000E+00 1.0000000E+00 43 5.9682218E-03 1.0000000E+00 1.0000000E+00 44 3.5400000E-03 1.0000000E+00 1.0000000E+00 D- 1 8.2000000E+05 1.0000000E+00 1.0000000E+00 2 4.7626832E+05 1.0000000E+00 1.0000000E+00 3 2.7662380E+05 1.0000000E+00 1.0000000E+00 4 1.6066726E+05 1.0000000E+00 1.0000000E+00 5 9.3317959E+04 1.0000000E+00 1.0000000E+00 6 5.4200473E+04 1.0000000E+00 1.0000000E+00 7 3.1480449E+04 1.0000000E+00 1.0000000E+00 8 1.8284318E+04 1.0000000E+00 1.0000000E+00 9 1.0619807E+04 1.0000000E+00 1.0000000E+00 10 6.1681434E+03 1.0000000E+00 1.0000000E+00 11 3.5825504E+03 1.0000000E+00 1.0000000E+00 12 2.0807991E+03 1.0000000E+00 1.0000000E+00 13 1.2085594E+03 1.0000000E+00 1.0000000E+00 14 7.0194945E+02 1.0000000E+00 1.0000000E+00 15 4.0770279E+02 1.0000000E+00 1.0000000E+00 16 2.3679991E+02 1.0000000E+00 1.0000000E+00 17 1.3753695E+02 1.0000000E+00 1.0000000E+00 18 7.9883525E+01 1.0000000E+00 1.0000000E+00 19 4.6397552E+01 1.0000000E+00 1.0000000E+00 20 2.6948395E+01 1.0000000E+00 1.0000000E+00 21 1.5652033E+01 1.0000000E+00 1.0000000E+00 22 9.0909360E+00 1.0000000E+00 1.0000000E+00 23 5.2801523E+00 1.0000000E+00 1.0000000E+00 24 3.0667918E+00 1.0000000E+00 1.0000000E+00 25 1.7812388E+00 1.0000000E+00 1.0000000E+00 26 1.0345702E+00 1.0000000E+00 1.0000000E+00 27 6.0089395E-01 1.0000000E+00 1.0000000E+00 28 3.4900823E-01 1.0000000E+00 1.0000000E+00 29 2.0270923E-01 1.0000000E+00 1.0000000E+00 30 1.1773657E-01 1.0000000E+00 1.0000000E+00 31 6.8383167E-02 1.0000000E+00 1.0000000E+00 32 3.9717971E-02 1.0000000E+00 1.0000000E+00 33 2.3068794E-02 1.0000000E+00 1.0000000E+00 34 1.3398703E-02 1.0000000E+00 1.0000000E+00 35 7.7821678E-03 1.0000000E+00 1.0000000E+00 36 4.5200000E-03 1.0000000E+00 1.0000000E+00 D+ 1 1.6500000E+05 1.0000000E+00 1.0000000E+00 2 9.9977070E+04 1.0000000E+00 1.0000000E+00 3 6.0578269E+04 1.0000000E+00 1.0000000E+00 4 3.6705684E+04 1.0000000E+00 1.0000000E+00 5 2.2240768E+04 1.0000000E+00 1.0000000E+00 6 1.3476162E+04 1.0000000E+00 1.0000000E+00 7 8.1654983E+03 1.0000000E+00 1.0000000E+00 8 4.9476521E+03 1.0000000E+00 1.0000000E+00 9 2.9978894E+03 1.0000000E+00 1.0000000E+00 10 1.8164861E+03 1.0000000E+00 1.0000000E+00 11 1.1006482E+03 1.0000000E+00 1.0000000E+00 12 6.6690656E+02 1.0000000E+00 1.0000000E+00 13 4.0409311E+02 1.0000000E+00 1.0000000E+00 14 2.4484876E+02 1.0000000E+00 1.0000000E+00 15 1.4835916E+02 1.0000000E+00 1.0000000E+00 16 8.9894024E+01 1.0000000E+00 1.0000000E+00 17 5.4468734E+01 1.0000000E+00 1.0000000E+00 18 3.3003784E+01 1.0000000E+00 1.0000000E+00 19 1.9997707E+01 1.0000000E+00 1.0000000E+00 20 1.2117043E+01 1.0000000E+00 1.0000000E+00 21 7.3419786E+00 1.0000000E+00 1.0000000E+00 22 4.4486637E+00 1.0000000E+00 1.0000000E+00 23 2.6955416E+00 1.0000000E+00 1.0000000E+00 24 1.6332869E+00 1.0000000E+00 1.0000000E+00 25 9.8964389E-01 1.0000000E+00 1.0000000E+00 26 5.9964664E-01 1.0000000E+00 1.0000000E+00 27 3.6333887E-01 1.0000000E+00 1.0000000E+00 28 2.2015488E-01 1.0000000E+00 1.0000000E+00 29 1.3339661E-01 1.0000000E+00 1.0000000E+00 30 8.0827890E-02 1.0000000E+00 1.0000000E+00 31 4.8975367E-02 1.0000000E+00 1.0000000E+00 32 2.9675234E-02 1.0000000E+00 1.0000000E+00 33 1.7980866E-02 1.0000000E+00 1.0000000E+00 34 1.0894996E-02 1.0000000E+00 1.0000000E+00 35 6.6015138E-03 1.0000000E+00 1.0000000E+00 36 4.0000000E-03 1.0000000E+00 1.0000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -9.4315622E+02 -1.4199291E+02 -2.7384819E+01 -4.2745802E+00 -2.3715280E-01 ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 -1.7217956E-06 5.8428274E-07 2.5421033E-07 1.0608465E-07 -2.3703331E-08 2 7.6386613E-06 -2.5914011E-06 -1.1274187E-06 -4.7047477E-07 1.0512141E-07 3 3.1679073E-07 -1.0826697E-07 -4.8166689E-08 -2.1045654E-08 4.7663968E-09 4 1.6144178E-05 -5.4811187E-06 -2.3837842E-06 -9.9376059E-07 2.2197408E-07 5 9.9194303E-06 -3.3730985E-06 -1.4718693E-06 -6.1785415E-07 1.3829740E-07 6 3.2607357E-05 -1.1088384E-05 -4.8219268E-06 -2.0087842E-06 4.4859940E-07 7 3.4920040E-05 -1.1892667E-05 -5.1876379E-06 -2.1750592E-06 4.8667617E-07 8 7.2220806E-05 -2.4623636E-05 -1.0709607E-05 -4.4597775E-06 9.9582396E-07 9 9.8908428E-05 -3.3775521E-05 -1.4736932E-05 -6.1778280E-06 1.3822182E-06 10 1.7619516E-04 -6.0300745E-05 -2.6236620E-05 -1.0923055E-05 2.4388036E-06 11 2.7250929E-04 -9.3426535E-05 -4.0787188E-05 -1.7100930E-05 3.8262499E-06 12 4.6966067E-04 -1.6153848E-04 -7.0325708E-05 -2.9275129E-05 6.5359335E-06 13 7.8049913E-04 -2.6900320E-04 -1.1753014E-04 -4.9288938E-05 1.1028728E-05 14 1.3635464E-03 -4.7190564E-04 -2.0561029E-04 -8.5595052E-05 1.9109659E-05 15 2.3838986E-03 -8.2726526E-04 -3.6178668E-04 -1.5175255E-04 3.3956686E-05 16 4.2800338E-03 -1.4934538E-03 -6.5146356E-04 -2.7127608E-04 6.0567189E-05 17 7.7501511E-03 -2.7173375E-03 -1.1900304E-03 -4.9923701E-04 1.1171157E-04 18 1.4197873E-02 -5.0253451E-03 -2.1967701E-03 -9.1529368E-04 2.0438006E-04 19 2.6011035E-02 -9.3185166E-03 -4.0932021E-03 -1.7178314E-03 3.8440177E-04 20 4.7203863E-02 -1.7295456E-02 -7.5991744E-03 -3.1700195E-03 7.0800463E-04 21 8.3244932E-02 -3.1594074E-02 -1.3994245E-02 -5.8819619E-03 1.3165046E-03 22 1.3853583E-01 -5.5985771E-02 -2.4957386E-02 -1.0440817E-02 2.3329555E-03 23 2.0704018E-01 -9.2838373E-02 -4.2173945E-02 -1.7819907E-02 3.9919790E-03 24 2.5483155E-01 -1.3582395E-01 -6.3205201E-02 -2.6643613E-02 5.9597623E-03 25 2.2328327E-01 -1.4907977E-01 -7.2637437E-02 -3.1218987E-02 7.0158088E-03 26 1.1009448E-01 -5.9417558E-02 -2.9021918E-02 -1.2079652E-02 2.6853779E-03 27 2.0903146E-02 1.9462889E-01 1.2355466E-01 5.4886645E-02 -1.2365587E-02 28 1.2561067E-03 4.6138380E-01 3.7687284E-01 1.8060911E-01 -4.1305989E-02 29 6.0451538E-06 3.8856853E-01 4.1701799E-01 2.0607514E-01 -4.7207166E-02 30 3.4140002E-05 1.2159925E-01 9.5329498E-03 9.4801425E-03 -2.8685795E-03 31 -1.0862174E-04 1.1355140E-02 -5.9586291E-01 -4.4125852E-01 1.0956800E-01 32 4.6526847E-05 1.0283727E-03 -5.6445420E-01 -6.4856771E-01 1.7120944E-01 33 -4.1195861E-05 -8.4261797E-05 -1.3147538E-01 -2.1596184E-02 -6.1144260E-03 34 3.5316853E-05 -1.1718358E-04 -1.5728818E-02 5.7026356E-01 -1.8830658E-01 35 -2.3895843E-05 -2.1102691E-05 2.5646150E-03 5.6428476E-01 -2.2143407E-01 36 1.8724218E-05 -3.2660906E-05 -3.7558968E-03 2.1072451E-01 -1.4390957E-01 37 -1.3623079E-05 1.7132757E-05 2.5257130E-03 3.0132170E-02 -2.7396077E-02 38 9.8970227E-06 -1.4727000E-05 -1.9560756E-03 2.9929485E-04 1.3663214E-01 39 -6.9935950E-06 1.0728386E-05 1.4064202E-03 1.6361897E-03 3.3241579E-01 40 4.7093164E-06 -7.2123128E-06 -9.5969612E-04 -8.0131508E-04 4.2128324E-01 41 -2.9293666E-06 4.6610373E-06 6.0483692E-04 7.1928740E-04 2.4400605E-01 42 1.5631632E-06 -2.4615710E-06 -3.2412495E-04 -3.3381149E-04 4.1207692E-02 43 -6.2937759E-07 1.0024175E-06 1.3110622E-04 1.4370482E-04 5.9221526E-04 44 1.3883759E-07 -2.2194862E-07 -2.8993640E-05 -3.2095501E-05 2.5996410E-05 *** Small-Component *** 45 -2.9004470E-06 9.8395039E-07 4.2679640E-07 1.7691755E-07 -3.9449960E-08 46 1.8757807E-06 -6.4068649E-07 -2.7323674E-07 -1.0870683E-07 2.3929910E-08 47 1.6789310E-05 -5.6786359E-06 -2.4840097E-06 -1.0499223E-06 2.3549396E-07 48 2.0445654E-05 -6.9484475E-06 -3.0002895E-06 -1.2303728E-06 2.7344835E-07 49 4.5258046E-05 -1.5307717E-05 -6.6981213E-06 -2.8329962E-06 6.3555679E-07 50 6.4232524E-05 -2.1814526E-05 -9.4382028E-06 -3.8888105E-06 8.6554348E-07 51 1.0680015E-04 -3.6135762E-05 -1.5802486E-05 -6.6745535E-06 1.4967631E-06 52 1.5923576E-04 -5.4064764E-05 -2.3418695E-05 -9.6752497E-06 2.1552306E-06 53 2.4623827E-04 -8.3356414E-05 -3.6424301E-05 -1.5356536E-05 3.4418106E-06 54 3.7046377E-04 -1.2578126E-04 -5.4532073E-05 -2.2574763E-05 5.0317710E-06 55 5.6171310E-04 -1.9028314E-04 -8.3093434E-05 -3.4974987E-05 7.8349842E-06 56 8.4524471E-04 -2.8710059E-04 -1.2456735E-04 -5.1649995E-05 1.1518050E-05 57 1.2733768E-03 -4.3189256E-04 -1.8851500E-04 -7.9241708E-05 1.7744266E-05 58 1.9123319E-03 -6.5046747E-04 -2.8244378E-04 -1.1726537E-04 2.6160734E-05 59 2.8686289E-03 -9.7562655E-04 -4.2579874E-04 -1.7879678E-04 4.0024294E-05 60 4.2880327E-03 -1.4644653E-03 -6.3656035E-04 -2.6458875E-04 5.9046522E-05 61 6.3823053E-03 -2.1861275E-03 -9.5470368E-04 -4.0061268E-04 8.9657501E-05 62 9.4228306E-03 -3.2556904E-03 -1.4180527E-03 -5.9008349E-04 1.3172374E-04 63 1.3733050E-02 -4.7988947E-03 -2.1012017E-03 -8.8162200E-04 1.9728630E-04 64 1.9562654E-02 -6.9917207E-03 -3.0611977E-03 -1.2757757E-03 2.8488183E-04 65 2.6810401E-02 -9.9283944E-03 -4.3836518E-03 -1.8416796E-03 4.1218752E-04 66 3.4369429E-02 -1.3563669E-02 -6.0271997E-03 -2.5196121E-03 5.6292119E-04 67 3.9306389E-02 -1.7229189E-02 -7.8046413E-03 -3.2961550E-03 7.3835005E-04 68 3.6825568E-02 -1.9216402E-02 -8.9197730E-03 -3.7580847E-03 8.4055019E-04 69 2.4459566E-02 -1.6033185E-02 -7.7993847E-03 -3.3511154E-03 7.5305724E-04 70 9.1127865E-03 -4.9036309E-03 -2.4048636E-03 -1.0024637E-03 2.2293619E-04 71 1.3048155E-03 1.1797867E-02 7.4576353E-03 3.3098395E-03 -7.4556137E-04 72 5.8492838E-05 2.1189764E-02 1.7255409E-02 8.2652987E-03 -1.8901703E-03 73 3.1195384E-07 1.3454766E-02 1.4405938E-02 7.1174033E-03 -1.6303932E-03 74 8.0846793E-07 3.1699148E-03 2.6049867E-04 2.5497949E-04 -7.6603480E-05 75 -2.0814720E-06 2.2286561E-04 -1.1649750E-02 -8.6215767E-03 2.1405904E-03 76 6.4534251E-07 1.5047142E-05 -8.3096679E-03 -9.5429255E-03 2.5190537E-03 77 -4.2403987E-07 -8.6049269E-07 -1.4562883E-03 -2.4020982E-04 -6.7266934E-05 78 2.6949713E-07 -1.0325582E-06 -1.3126584E-04 4.7503961E-03 -1.5685083E-03 79 -1.3044438E-07 -9.2832927E-08 1.6206273E-05 3.5372155E-03 -1.3879431E-03 80 7.3615897E-08 -1.8294308E-07 -1.7810097E-05 9.9391081E-04 -6.7872723E-04 81 -3.7326102E-08 8.1623067E-08 9.0304697E-06 1.0695460E-04 -9.7229232E-05 82 1.8319323E-08 -5.4226835E-08 -5.2704104E-06 7.8898353E-07 3.6483488E-04 83 -8.2358045E-09 3.2018782E-08 2.8583406E-06 3.2948165E-06 6.6788269E-04 84 3.1159155E-09 -1.7992442E-08 -1.4725997E-06 -1.2164015E-06 6.3689531E-04 85 -7.6776787E-10 9.7878294E-09 7.0160376E-07 8.2134642E-07 2.7756667E-04 86 -1.0071019E-10 -4.6020417E-09 -2.8489599E-07 -2.8744818E-07 3.5271300E-05 87 2.1908793E-10 1.7259444E-09 8.7626398E-08 9.3288429E-08 3.8132485E-07 88 -8.6330421E-11 -3.7265667E-10 -1.4824920E-08 -1.5731290E-08 1.2619683E-08 2P- 3P- 4P- -1.3153111E+02 -2.3176214E+01 -2.8778366E+00 ------------ ------------ ------------ *** Large-Component *** 1 -1.1042182E-07 4.9772280E-08 -1.9671399E-08 2 -4.4057789E-09 2.1525497E-09 -8.8067403E-10 3 1.0196922E-06 -4.6040703E-07 1.8210431E-07 4 7.8926148E-07 -3.5532400E-07 1.4035629E-07 5 2.6198996E-06 -1.1831992E-06 4.6803612E-07 6 2.9624882E-06 -1.3343882E-06 5.2721584E-07 7 5.9197798E-06 -2.6741500E-06 1.0579204E-06 8 7.9806385E-06 -3.5946840E-06 1.4202428E-06 9 1.3469126E-05 -6.0865192E-06 2.4082358E-06 10 1.9599220E-05 -8.8259563E-06 3.4866734E-06 11 3.1218749E-05 -1.4115180E-05 5.5861760E-06 12 4.7154805E-05 -2.1226587E-05 8.3837070E-06 13 7.4209926E-05 -3.3583822E-05 1.3295668E-05 14 1.1547808E-04 -5.1960952E-05 2.0516764E-05 15 1.8507824E-04 -8.3882291E-05 3.3225397E-05 16 3.0145740E-04 -1.3565406E-04 5.3550456E-05 17 5.1115216E-04 -2.3221316E-04 9.2037882E-05 18 9.0579232E-04 -4.0833558E-04 1.6122154E-04 19 1.7037793E-03 -7.7688978E-04 3.0813952E-04 20 3.4033634E-03 -1.5430350E-03 6.0992456E-04 21 7.1846957E-03 -3.3000719E-03 1.3103722E-03 22 1.5712800E-02 -7.2237438E-03 2.8634454E-03 23 3.4660383E-02 -1.6244509E-02 6.4723543E-03 24 7.4168505E-02 -3.5360697E-02 1.4114118E-02 25 1.4530636E-01 -7.1919474E-02 2.8944237E-02 26 2.4185368E-01 -1.2437519E-01 5.0376239E-02 27 3.0740852E-01 -1.6542585E-01 6.7849009E-02 28 2.4527487E-01 -9.6395324E-02 3.5165299E-02 29 9.8080526E-02 1.3595691E-01 -7.8030002E-02 30 1.5133428E-02 4.0436488E-01 -2.2866825E-01 31 1.0686488E-03 4.1768338E-01 -2.7157073E-01 32 6.8846010E-05 1.6123104E-01 2.2417575E-02 33 -5.7185600E-05 2.2763454E-02 3.7400304E-01 34 -3.4574665E-05 1.2064397E-03 4.3603910E-01 35 -1.3837688E-05 9.6973781E-04 2.5942976E-01 36 -5.1616651E-06 -3.3746483E-04 7.5983124E-02 37 -1.1935882E-06 3.6357142E-04 1.1025999E-02 38 -3.3454328E-07 -2.5016297E-04 1.2349173E-03 39 6.4891782E-08 1.8099891E-04 4.3157782E-04 40 -4.6914592E-08 -1.2496943E-04 -1.0336817E-04 41 3.3596110E-08 7.9743435E-05 9.3672525E-05 42 -1.7816706E-08 -4.4778386E-05 -5.3052579E-05 43 5.9846379E-09 1.9525837E-05 2.3536345E-05 44 -8.4795167E-10 -4.8471877E-06 -5.8929367E-06 *** Small-Component *** 45 -2.3237413E-08 9.6226124E-09 -3.6522200E-09 46 5.3218099E-08 -2.0816049E-08 7.6653683E-09 47 1.3101831E-07 -6.6096662E-08 2.7368509E-08 48 2.6556256E-07 -1.0765542E-07 4.0412930E-08 49 4.7615360E-07 -2.3392195E-07 9.5861808E-08 50 7.8189736E-07 -3.2464012E-07 1.2337046E-07 51 1.2774200E-06 -6.1731397E-07 2.5129830E-07 52 2.0187146E-06 -8.5338293E-07 3.2720334E-07 53 3.2271163E-06 -1.5389990E-06 6.2305775E-07 54 5.1106464E-06 -2.1929659E-06 8.4685337E-07 55 8.2311928E-06 -3.8807057E-06 1.5633789E-06 56 1.3302750E-05 -5.7849071E-06 2.2477838E-06 57 2.1943042E-05 -1.0241147E-05 4.1072190E-06 58 3.6621209E-05 -1.6119578E-05 6.2973877E-06 59 6.2519041E-05 -2.8930899E-05 1.1556918E-05 60 1.0846961E-04 -4.8255958E-05 1.8937695E-05 61 1.9233989E-04 -8.8455754E-05 3.5224970E-05 62 3.4637155E-04 -1.5550456E-04 6.1245059E-05 63 6.3362591E-04 -2.9061490E-04 1.1550399E-04 64 1.1676654E-03 -5.2901984E-04 2.0896015E-04 65 2.1536804E-03 -9.9135078E-04 3.9390377E-04 66 3.9213159E-03 -1.8029016E-03 7.1456369E-04 67 6.9357003E-03 -3.2528750E-03 1.2962939E-03 68 1.1589810E-02 -5.5271621E-03 2.2061805E-03 69 1.7428354E-02 -8.6325183E-03 3.4746439E-03 70 2.2024313E-02 -1.1338014E-02 4.5930069E-03 71 2.1104224E-02 -1.1380621E-02 4.6694620E-03 72 1.2608998E-02 -4.9767742E-03 1.8179274E-03 73 3.7156522E-03 5.3010855E-03 -3.0366924E-03 74 3.6825485E-04 1.1794522E-02 -6.6652334E-03 75 -2.4830711E-05 9.1243751E-03 -5.9301775E-03 76 -3.0092407E-05 2.6385844E-03 3.6264089E-04 77 -2.0890132E-05 2.7999804E-04 4.5740739E-03 78 -1.3476308E-05 1.1923976E-05 3.9932173E-03 79 -8.4820973E-06 7.1995847E-06 1.7785379E-03 80 -5.6685596E-06 -1.3622025E-06 3.8954235E-04 81 -3.3561018E-06 1.6162900E-06 4.2024921E-05 82 -2.6016414E-06 -5.4912911E-07 3.2517930E-06 83 -1.0884503E-06 4.6077046E-07 8.1296622E-07 84 -1.5126997E-06 -1.0223426E-07 -3.4186982E-07 85 7.0670617E-08 9.1462692E-08 1.2372397E-07 86 -1.2232869E-06 3.9700282E-08 -1.8777938E-07 87 5.3789299E-07 -2.2034902E-08 7.7433644E-08 88 -7.0757315E-07 4.3868790E-08 -8.3177427E-08 2P+ 3P+ 4P+ -1.2505510E+02 -2.1996347E+01 -2.6808039E+00 ------------ ------------ ------------ *** Large-Component *** 1 3.2252130E-08 -1.4758649E-08 5.7826778E-09 2 -4.2174656E-08 1.9563370E-08 -7.5677596E-09 3 1.0614527E-07 -4.9238742E-08 1.9050303E-08 4 -4.4777360E-08 2.2280575E-08 -8.0692754E-09 5 2.0723389E-07 -9.7772135E-08 3.7247992E-08 6 1.0272336E-07 -4.0765899E-08 1.8296051E-08 7 5.3758966E-07 -2.5499546E-07 9.6729974E-08 8 7.9530907E-07 -3.4494267E-07 1.4238018E-07 9 2.0134781E-06 -9.4677432E-07 3.6239095E-07 10 4.0194437E-06 -1.7819890E-06 7.2103178E-07 11 9.1441581E-06 -4.2552067E-06 1.6461296E-06 12 2.0053795E-05 -9.0005781E-06 3.6033946E-06 13 4.5740924E-05 -2.1131021E-05 8.2391162E-06 14 1.0450685E-04 -4.7286492E-05 1.8812176E-05 15 2.4272846E-04 -1.1171799E-04 4.3785092E-05 16 5.6634245E-04 -2.5786838E-04 1.0223462E-04 17 1.3280166E-03 -6.1137770E-04 2.4044573E-04 18 3.1029989E-03 -1.4235494E-03 5.6370172E-04 19 7.1796518E-03 -3.3279851E-03 1.3129343E-03 20 1.6262517E-02 -7.5753382E-03 3.0040085E-03 21 3.5573231E-02 -1.6863889E-02 6.6868292E-03 22 7.3317340E-02 -3.5469815E-02 1.4155031E-02 23 1.3673605E-01 -6.8427751E-02 2.7417739E-02 24 2.1927047E-01 -1.1404033E-01 4.6155788E-02 25 2.7960366E-01 -1.5226214E-01 6.2114717E-02 26 2.4542121E-01 -1.1536134E-01 4.5173170E-02 27 1.2694443E-01 4.9898126E-02 -3.4684825E-02 28 3.2327198E-02 2.8445128E-01 -1.5414874E-01 29 3.3996895E-03 4.1985837E-01 -2.5998880E-01 30 4.3780248E-04 2.8448462E-01 -1.6586478E-01 31 -8.7687719E-05 8.4705336E-02 1.4282748E-01 32 -7.8257911E-06 1.1542498E-02 3.7241784E-01 33 -6.1109915E-05 1.1669750E-03 3.7994146E-01 34 1.1582481E-05 5.7792251E-04 2.2787999E-01 35 -2.2858455E-05 -4.5757016E-05 7.9160760E-02 36 1.1883334E-05 1.5187908E-04 1.4095847E-02 37 -1.0300930E-05 -8.7530176E-05 2.6901813E-03 38 7.2274045E-06 6.8554874E-05 1.4307352E-04 39 -5.1584736E-06 -4.9981198E-05 3.2352200E-04 40 3.5075106E-06 3.3931132E-05 -1.6040217E-04 41 -2.1961607E-06 -2.1425530E-05 1.0990104E-04 42 1.1887760E-06 1.1649563E-05 -6.0404299E-05 43 -4.8925589E-07 -4.8110622E-06 2.5166015E-05 44 1.1221614E-07 1.1064236E-06 -5.8152513E-06 *** Small-Component *** 45 8.1145652E-08 -3.8011628E-08 1.4566666E-08 46 -5.3397927E-08 2.8758877E-08 -9.6829423E-09 47 1.9294562E-07 -9.8011578E-08 3.4834719E-08 48 5.5358076E-08 -6.7727327E-09 9.4398470E-09 49 3.9060607E-07 -2.0648576E-07 7.0731613E-08 50 5.0385458E-07 -1.8668444E-07 8.9170137E-08 51 1.1573191E-06 -5.8607005E-07 2.0890895E-07 52 2.0440519E-06 -8.4644027E-07 3.6408338E-07 53 4.0311313E-06 -1.9464372E-06 7.2525862E-07 54 7.5578374E-06 -3.2821589E-06 1.3503263E-06 55 1.4510215E-05 -6.8084395E-06 2.6059828E-06 56 2.7496225E-05 -1.2222623E-05 4.9215106E-06 57 5.2431762E-05 -2.4239480E-05 9.4119155E-06 58 9.9411460E-05 -4.4730015E-05 1.7822033E-05 59 1.8858611E-04 -8.6607689E-05 3.3882634E-05 60 3.5572147E-04 -1.6127848E-04 6.3941895E-05 61 6.6753605E-04 -3.0633237E-04 1.2035486E-04 62 1.2381916E-03 -5.6590080E-04 2.2398736E-04 63 2.2587203E-03 -1.0434577E-03 4.1135721E-04 64 4.0111100E-03 -1.8620231E-03 7.3798172E-04 65 6.8478112E-03 -3.2359204E-03 1.2823246E-03 66 1.0974870E-02 -5.2933898E-03 2.1113598E-03 67 1.5868571E-02 -7.9197293E-03 3.1717735E-03 68 1.9684033E-02 -1.0212735E-02 4.1317766E-03 69 1.9389041E-02 -1.0537322E-02 4.2973705E-03 70 1.3131114E-02 -6.1669009E-03 2.4154050E-03 71 5.2353384E-03 2.0412617E-03 -1.4199988E-03 72 1.0271948E-03 9.0060928E-03 -4.8784542E-03 73 8.3122930E-05 1.0246346E-02 -6.3423139E-03 74 8.2675790E-06 5.3488346E-03 -3.1180522E-03 75 -1.2929517E-06 1.2266406E-03 2.0666151E-03 76 -7.1862400E-08 1.2875194E-04 4.1513623E-03 77 -5.3656000E-07 1.0007375E-05 3.2619954E-03 78 8.4973871E-08 3.8324941E-06 1.5068016E-03 79 -1.2257265E-07 -2.4057680E-07 4.0313422E-04 80 5.1073953E-08 6.0115308E-07 5.5279933E-05 81 -3.4351687E-08 -2.6832432E-07 8.1289410E-06 82 1.9135500E-08 1.6228620E-07 3.3053512E-07 83 -1.0878041E-08 -9.1522256E-08 5.8123620E-07 84 5.9518024E-09 4.8163501E-08 -2.2242242E-07 85 -3.0396483E-09 -2.3623360E-08 1.1748479E-07 86 1.3666299E-09 1.0011179E-08 -4.9825063E-08 87 -4.7934831E-10 -3.2395101E-09 1.6031469E-08 88 9.7232018E-11 5.8930765E-10 -2.8648651E-09 3D- 4D- -1.4620213E+01 -5.2597103E-01 ------------ ------------ *** Large-Component *** 1 -9.9123579E-08 -3.1638967E-08 2 9.2145692E-08 2.9110354E-08 3 -2.8744551E-07 -9.1012856E-08 4 2.0645999E-08 4.4466224E-09 5 -6.2632539E-07 -1.9627513E-07 6 -5.6488273E-07 -1.8885651E-07 7 -1.9657254E-06 -6.1461568E-07 8 -3.3724193E-06 -1.1070860E-06 9 -8.7607727E-06 -2.7562118E-06 10 -1.9451286E-05 -6.3222406E-06 11 -5.1813669E-05 -1.6438178E-05 12 -1.3531593E-04 -4.3691992E-05 13 -3.8665839E-04 -1.2351642E-04 14 -1.1030787E-03 -3.5546629E-04 15 -3.2274891E-03 -1.0373970E-03 16 -9.1059764E-03 -2.9452060E-03 17 -2.4106378E-02 -7.8168220E-03 18 -5.7586371E-02 -1.8853176E-02 19 -1.2183960E-01 -4.0305211E-02 20 -2.0916873E-01 -6.8985007E-02 21 -2.8177407E-01 -8.9659120E-02 22 -2.8307459E-01 -8.0725035E-02 23 -1.7846420E-01 4.9463208E-03 24 -6.1831115E-02 1.4865303E-01 25 -1.0915028E-02 2.5317867E-01 26 -1.0010181E-03 2.7786248E-01 27 -1.9064467E-04 2.3919585E-01 28 2.1606577E-05 1.7029735E-01 29 -3.2189809E-05 9.6132973E-02 30 2.1941631E-05 3.8414268E-02 31 -1.5760674E-05 8.2123469E-03 32 1.0897101E-05 7.0165419E-04 33 -7.0182490E-06 -3.7078278E-05 34 3.9942463E-06 2.9611082E-05 35 -1.7820657E-06 -1.4111303E-05 36 4.6013875E-07 3.8152569E-06 *** Small-Component *** 37 -1.5824891E-08 -4.5237190E-09 38 9.3230806E-09 1.0293264E-09 39 -5.3302258E-08 -1.2859786E-08 40 -7.9420273E-09 -9.8215854E-09 41 -1.6972226E-07 -4.3025494E-08 42 -1.7006765E-07 -7.1203430E-08 43 -6.8724493E-07 -1.9606048E-07 44 -1.1858493E-06 -4.1403408E-07 45 -3.3896193E-06 -1.0377974E-06 46 -7.2848883E-06 -2.4020512E-06 47 -1.8698136E-05 -5.8982478E-06 48 -4.3484501E-05 -1.4077634E-05 49 -1.0660367E-04 -3.4023691E-05 50 -2.4979249E-04 -8.0527357E-05 51 -5.8501653E-04 -1.8801530E-04 52 -1.2961577E-03 -4.1925072E-04 53 -2.6636233E-03 -8.6370854E-04 54 -4.9009135E-03 -1.6045411E-03 55 -7.9501577E-03 -2.6301133E-03 56 -1.0436856E-02 -3.4427129E-03 57 -1.0734918E-02 -3.4164920E-03 58 -8.2264347E-03 -2.3467605E-03 59 -3.9527919E-03 1.0950602E-04 60 -1.0420572E-03 2.5121594E-03 61 -1.3888077E-04 3.2613238E-03 62 -8.9138183E-06 2.7280207E-03 63 -9.6850490E-07 1.7897920E-03 64 3.6080211E-07 9.7113660E-04 65 -2.3599548E-08 4.1778975E-04 66 1.3523660E-07 1.2722530E-04 67 -1.1465411E-08 2.0721984E-05 68 3.8860324E-08 1.3447895E-06 69 -5.1167897E-09 -5.6278366E-08 70 1.1380216E-08 3.1100990E-08 71 -2.3205818E-09 -1.1846597E-08 72 3.2917213E-09 1.5638991E-09 3D+ 4D+ -1.4385361E+01 -5.0149728E-01 ------------ ------------ *** Large-Component *** 1 -2.5806230E-08 7.9482728E-09 2 9.3009862E-09 -1.8333811E-09 3 -1.1030496E-07 3.1860922E-08 4 -1.4046211E-07 5.1471802E-08 5 -5.7922035E-07 1.7005172E-07 6 -1.5236917E-06 5.0874277E-07 7 -4.5331848E-06 1.3924023E-06 8 -1.3320656E-05 4.3079297E-06 9 -3.8904069E-05 1.2205816E-05 10 -1.1451744E-04 3.6615499E-05 11 -3.3165032E-04 1.0496034E-04 12 -9.5411997E-04 3.0436439E-04 13 -2.6831389E-03 8.5412888E-04 14 -7.2835008E-03 2.3314504E-03 15 -1.8431100E-02 5.9129326E-03 16 -4.2679272E-02 1.3800591E-02 17 -8.9181962E-02 2.9122334E-02 18 -1.5951993E-01 5.2383268E-02 19 -2.3203279E-01 7.4609084E-02 20 -2.7297986E-01 8.4151621E-02 21 -2.3566540E-01 5.5399752E-02 22 -1.2958605E-01 -4.0306751E-02 23 -4.2279857E-02 -1.5996629E-01 24 -7.4273601E-03 -2.3765246E-01 25 -9.5814007E-04 -2.5355665E-01 26 -6.6051721E-05 -2.2248418E-01 27 -7.7737012E-05 -1.6655859E-01 28 4.0647783E-05 -1.0401768E-01 29 -3.4094318E-05 -4.9997005E-02 30 2.5435790E-05 -1.5603794E-02 31 -1.8453008E-05 -2.3658236E-03 32 1.2785464E-05 -1.1158241E-04 33 -8.1706242E-06 -1.6940305E-06 34 4.5386013E-06 6.8101940E-08 35 -1.9388240E-06 5.5517017E-09 36 4.6983537E-07 -2.3203974E-09 *** Small-Component *** 37 -4.8353150E-08 1.4532471E-08 38 7.6500688E-10 2.8105283E-09 39 -1.4837588E-07 4.0204034E-08 40 -2.1577418E-07 8.0448217E-08 41 -6.1177859E-07 1.7516946E-07 42 -1.4182811E-06 4.7718452E-07 43 -3.3493293E-06 1.0231936E-06 44 -8.0361870E-06 2.6027169E-06 45 -1.8759262E-05 5.8771723E-06 46 -4.4079151E-05 1.4092359E-05 47 -1.0117737E-04 3.1999782E-05 48 -2.2986683E-04 7.3298682E-05 49 -5.0858797E-04 1.6182315E-04 50 -1.0832389E-03 3.4660509E-04 51 -2.1456085E-03 6.8807251E-04 52 -3.8822930E-03 1.2549166E-03 53 -6.3318774E-03 2.0669952E-03 54 -8.8313403E-03 2.8992327E-03 55 -1.0008403E-02 3.2174054E-03 56 -9.1704966E-03 2.8264632E-03 57 -6.1649401E-03 1.4493102E-03 58 -2.6392128E-03 -8.2007222E-04 59 -6.7032586E-04 -2.5349520E-03 60 -9.1659257E-05 -2.9318026E-03 61 -9.2063737E-06 -2.4349555E-03 62 -4.9189640E-07 -1.6631428E-03 63 -4.5387564E-07 -9.6918961E-04 64 1.8521108E-07 -4.7114910E-04 65 -1.2100422E-07 -1.7628068E-04 66 7.0377346E-08 -4.2825141E-05 67 -3.9821543E-08 -5.0543423E-06 68 2.1532959E-08 -1.8552453E-07 69 -1.0749469E-08 -2.2150124E-09 70 4.6708518E-09 8.1201876E-11 71 -1.5641254E-09 -1.2058204E-12 72 2.9811782E-10 -5.8517619E-15 RADIAL MOMENTS Sym Orb S+ 1 5.22981E+03 4.94366E+01 3.11021E-02 1.30786E-03 6.94158E-05 4.45527E-06 2 5.92696E+02 1.14127E+01 1.34323E-01 2.13376E-02 3.86174E-03 7.87942E-04 3 1.14005E+02 4.00464E+00 3.66223E-01 1.53484E-01 7.10755E-02 3.60846E-02 4 2.04708E+01 1.49035E+00 9.20273E-01 9.59470E-01 1.10389E+00 1.39463E+00 5 1.11530E+00 3.67968E-01 3.45117E+00 1.39003E+01 6.43341E+01 3.38822E+02 P- 1 1.90330E+02 1.13556E+01 1.14212E-01 1.60273E-02 2.67386E-03 5.18385E-04 2 3.64311E+01 3.90096E+00 3.58619E-01 1.49473E-01 6.96360E-02 3.59431E-02 3 6.14198E+00 1.36833E+00 9.89953E-01 1.12347E+00 1.42571E+00 2.01610E+00 P+ 1 1.55266E+02 1.06757E+01 1.19238E-01 1.73419E-02 2.98772E-03 5.96935E-04 2 3.00189E+01 3.73904E+00 3.69091E-01 1.58135E-01 7.56927E-02 4.01269E-02 3 5.09341E+00 1.31995E+00 1.01931E+00 1.19158E+00 1.55896E+00 2.27511E+00 D- 1 1.60279E+01 3.56178E+00 3.42582E-01 1.39643E-01 6.64353E-02 3.63362E-02 2 1.84097E+00 9.84074E-01 1.37072E+00 2.29816E+00 4.64397E+00 1.12519E+01 D+ 1 1.55741E+01 3.51928E+00 3.46013E-01 1.42307E-01 6.82700E-02 3.76389E-02 2 1.76510E+00 9.66520E-01 1.39594E+00 2.38906E+00 4.94072E+00 1.22777E+01 ******************************************************************************************* ******************************************************************************************* Cd [Kr]5s(2)4d(10) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 48.0 Atomic Mass = 114.0 Nuclear Radius = 1.127986E-04 Speed of Light = 137.0359955 S+ P- P+ D- D+ Number of Closed Shells 5 3 3 2 2 Open Shells 0 0 0 0 0 ENERGIES Total Energy = -5.59331829675243E+03 Mass Energy = -5.59308087842581E+03 Kinetic Energy = 1.14589493182077E+04 Potential Energy = -1.14591867365343E+04 NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 2.4700000E+08 1.0000000E+00 1.0000000E+00 2 1.3984373E+08 1.0000000E+00 1.0000000E+00 3 7.9175181E+07 1.0000000E+00 1.0000000E+00 4 4.4826530E+07 1.0000000E+00 1.0000000E+00 5 2.5379390E+07 1.0000000E+00 1.0000000E+00 6 1.4369023E+07 1.0000000E+00 1.0000000E+00 7 8.1352946E+06 1.0000000E+00 1.0000000E+00 8 4.6059513E+06 1.0000000E+00 1.0000000E+00 9 2.6077466E+06 1.0000000E+00 1.0000000E+00 10 1.4764252E+06 1.0000000E+00 1.0000000E+00 11 8.3590612E+05 1.0000000E+00 1.0000000E+00 12 4.7326410E+05 1.0000000E+00 1.0000000E+00 13 2.6794744E+05 1.0000000E+00 1.0000000E+00 14 1.5170352E+05 1.0000000E+00 1.0000000E+00 15 8.5889827E+04 1.0000000E+00 1.0000000E+00 16 4.8628154E+04 1.0000000E+00 1.0000000E+00 17 2.7531751E+04 1.0000000E+00 1.0000000E+00 18 1.5587623E+04 1.0000000E+00 1.0000000E+00 19 8.8252283E+03 1.0000000E+00 1.0000000E+00 20 4.9965703E+03 1.0000000E+00 1.0000000E+00 21 2.8289030E+03 1.0000000E+00 1.0000000E+00 22 1.6016371E+03 1.0000000E+00 1.0000000E+00 23 9.0679719E+02 1.0000000E+00 1.0000000E+00 24 5.1340042E+02 1.0000000E+00 1.0000000E+00 25 2.9067138E+02 1.0000000E+00 1.0000000E+00 26 1.6456911E+02 1.0000000E+00 1.0000000E+00 27 9.3173924E+01 1.0000000E+00 1.0000000E+00 28 5.2752184E+01 1.0000000E+00 1.0000000E+00 29 2.9866649E+01 1.0000000E+00 1.0000000E+00 30 1.6909570E+01 1.0000000E+00 1.0000000E+00 31 9.5736734E+00 1.0000000E+00 1.0000000E+00 32 5.4203167E+00 1.0000000E+00 1.0000000E+00 33 3.0688151E+00 1.0000000E+00 1.0000000E+00 34 1.7374678E+00 1.0000000E+00 1.0000000E+00 35 9.8370036E-01 1.0000000E+00 1.0000000E+00 36 5.5694061E-01 1.0000000E+00 1.0000000E+00 37 3.1532248E-01 1.0000000E+00 1.0000000E+00 38 1.7852580E-01 1.0000000E+00 1.0000000E+00 39 1.0107577E-01 1.0000000E+00 1.0000000E+00 40 5.7225962E-02 1.0000000E+00 1.0000000E+00 41 3.2399564E-02 1.0000000E+00 1.0000000E+00 42 1.8343627E-02 1.0000000E+00 1.0000000E+00 43 1.0385592E-02 1.0000000E+00 1.0000000E+00 44 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.3985048E+08 1.0000000E+00 1.0000000E+00 3 7.8389406E+07 1.0000000E+00 1.0000000E+00 4 4.3939063E+07 1.0000000E+00 1.0000000E+00 5 2.4628854E+07 1.0000000E+00 1.0000000E+00 6 1.3805038E+07 1.0000000E+00 1.0000000E+00 7 7.7380410E+06 1.0000000E+00 1.0000000E+00 8 4.3373497E+06 1.0000000E+00 1.0000000E+00 9 2.4311841E+06 1.0000000E+00 1.0000000E+00 10 1.3627345E+06 1.0000000E+00 1.0000000E+00 11 7.6384401E+05 1.0000000E+00 1.0000000E+00 12 4.2815211E+05 1.0000000E+00 1.0000000E+00 13 2.3998909E+05 1.0000000E+00 1.0000000E+00 14 1.3451940E+05 1.0000000E+00 1.0000000E+00 15 7.5401213E+04 1.0000000E+00 1.0000000E+00 16 4.2264112E+04 1.0000000E+00 1.0000000E+00 17 2.3690005E+04 1.0000000E+00 1.0000000E+00 18 1.3278792E+04 1.0000000E+00 1.0000000E+00 19 7.4430679E+03 1.0000000E+00 1.0000000E+00 20 4.1720105E+03 1.0000000E+00 1.0000000E+00 21 2.3385077E+03 1.0000000E+00 1.0000000E+00 22 1.3107873E+03 1.0000000E+00 1.0000000E+00 23 7.3472638E+02 1.0000000E+00 1.0000000E+00 24 4.1183101E+02 1.0000000E+00 1.0000000E+00 25 2.3084074E+02 1.0000000E+00 1.0000000E+00 26 1.2939154E+02 1.0000000E+00 1.0000000E+00 27 7.2526928E+01 1.0000000E+00 1.0000000E+00 28 4.0653009E+01 1.0000000E+00 1.0000000E+00 29 2.2786945E+01 1.0000000E+00 1.0000000E+00 30 1.2772606E+01 1.0000000E+00 1.0000000E+00 31 7.1593392E+00 1.0000000E+00 1.0000000E+00 32 4.0129740E+00 1.0000000E+00 1.0000000E+00 33 2.2493641E+00 1.0000000E+00 1.0000000E+00 34 1.2608203E+00 1.0000000E+00 1.0000000E+00 35 7.0671871E-01 1.0000000E+00 1.0000000E+00 36 3.9613207E-01 1.0000000E+00 1.0000000E+00 37 2.2204112E-01 1.0000000E+00 1.0000000E+00 38 1.2445915E-01 1.0000000E+00 1.0000000E+00 39 6.9762212E-02 1.0000000E+00 1.0000000E+00 40 3.9103322E-02 1.0000000E+00 1.0000000E+00 41 2.1918310E-02 1.0000000E+00 1.0000000E+00 42 1.2285716E-02 1.0000000E+00 1.0000000E+00 43 6.8864261E-03 1.0000000E+00 1.0000000E+00 44 3.8600000E-03 1.0000000E+00 1.0000000E+00 P+ 1 2.0100000E+07 1.0000000E+00 1.0000000E+00 2 1.1922144E+07 1.0000000E+00 1.0000000E+00 3 7.0715183E+06 1.0000000E+00 1.0000000E+00 4 4.1944110E+06 1.0000000E+00 1.0000000E+00 5 2.4878792E+06 1.0000000E+00 1.0000000E+00 6 1.4756644E+06 1.0000000E+00 1.0000000E+00 7 8.7527777E+05 1.0000000E+00 1.0000000E+00 8 5.1916357E+05 1.0000000E+00 1.0000000E+00 9 3.0793745E+05 1.0000000E+00 1.0000000E+00 10 1.8265048E+05 1.0000000E+00 1.0000000E+00 11 1.0833758E+05 1.0000000E+00 1.0000000E+00 12 6.4259514E+04 1.0000000E+00 1.0000000E+00 13 3.8114984E+04 1.0000000E+00 1.0000000E+00 14 2.2607579E+04 1.0000000E+00 1.0000000E+00 15 1.3409493E+04 1.0000000E+00 1.0000000E+00 16 7.9537267E+03 1.0000000E+00 1.0000000E+00 17 4.7176853E+03 1.0000000E+00 1.0000000E+00 18 2.7982549E+03 1.0000000E+00 1.0000000E+00 19 1.6597611E+03 1.0000000E+00 1.0000000E+00 20 9.8447319E+02 1.0000000E+00 1.0000000E+00 21 5.8393190E+02 1.0000000E+00 1.0000000E+00 22 3.4635424E+02 1.0000000E+00 1.0000000E+00 23 2.0543707E+02 1.0000000E+00 1.0000000E+00 24 1.2185325E+02 1.0000000E+00 1.0000000E+00 25 7.2276219E+01 1.0000000E+00 1.0000000E+00 26 4.2870025E+01 1.0000000E+00 1.0000000E+00 27 2.5427991E+01 1.0000000E+00 1.0000000E+00 28 1.5082396E+01 1.0000000E+00 1.0000000E+00 29 8.9459951E+00 1.0000000E+00 1.0000000E+00 30 5.3062409E+00 1.0000000E+00 1.0000000E+00 31 3.1473517E+00 1.0000000E+00 1.0000000E+00 32 1.8668249E+00 1.0000000E+00 1.0000000E+00 33 1.1072913E+00 1.0000000E+00 1.0000000E+00 34 6.5678041E-01 1.0000000E+00 1.0000000E+00 35 3.8956371E-01 1.0000000E+00 1.0000000E+00 36 2.3106640E-01 1.0000000E+00 1.0000000E+00 37 1.3705507E-01 1.0000000E+00 1.0000000E+00 38 8.1293050E-02 1.0000000E+00 1.0000000E+00 39 4.8218281E-02 1.0000000E+00 1.0000000E+00 40 2.8600263E-02 1.0000000E+00 1.0000000E+00 41 1.6964003E-02 1.0000000E+00 1.0000000E+00 42 1.0062054E-02 1.0000000E+00 1.0000000E+00 43 5.9682218E-03 1.0000000E+00 1.0000000E+00 44 3.5400000E-03 1.0000000E+00 1.0000000E+00 D- 1 8.2000000E+05 1.0000000E+00 1.0000000E+00 2 4.7626832E+05 1.0000000E+00 1.0000000E+00 3 2.7662380E+05 1.0000000E+00 1.0000000E+00 4 1.6066726E+05 1.0000000E+00 1.0000000E+00 5 9.3317959E+04 1.0000000E+00 1.0000000E+00 6 5.4200473E+04 1.0000000E+00 1.0000000E+00 7 3.1480449E+04 1.0000000E+00 1.0000000E+00 8 1.8284318E+04 1.0000000E+00 1.0000000E+00 9 1.0619807E+04 1.0000000E+00 1.0000000E+00 10 6.1681434E+03 1.0000000E+00 1.0000000E+00 11 3.5825504E+03 1.0000000E+00 1.0000000E+00 12 2.0807991E+03 1.0000000E+00 1.0000000E+00 13 1.2085594E+03 1.0000000E+00 1.0000000E+00 14 7.0194945E+02 1.0000000E+00 1.0000000E+00 15 4.0770279E+02 1.0000000E+00 1.0000000E+00 16 2.3679991E+02 1.0000000E+00 1.0000000E+00 17 1.3753695E+02 1.0000000E+00 1.0000000E+00 18 7.9883525E+01 1.0000000E+00 1.0000000E+00 19 4.6397552E+01 1.0000000E+00 1.0000000E+00 20 2.6948395E+01 1.0000000E+00 1.0000000E+00 21 1.5652033E+01 1.0000000E+00 1.0000000E+00 22 9.0909360E+00 1.0000000E+00 1.0000000E+00 23 5.2801523E+00 1.0000000E+00 1.0000000E+00 24 3.0667918E+00 1.0000000E+00 1.0000000E+00 25 1.7812388E+00 1.0000000E+00 1.0000000E+00 26 1.0345702E+00 1.0000000E+00 1.0000000E+00 27 6.0089395E-01 1.0000000E+00 1.0000000E+00 28 3.4900823E-01 1.0000000E+00 1.0000000E+00 29 2.0270923E-01 1.0000000E+00 1.0000000E+00 30 1.1773657E-01 1.0000000E+00 1.0000000E+00 31 6.8383167E-02 1.0000000E+00 1.0000000E+00 32 3.9717971E-02 1.0000000E+00 1.0000000E+00 33 2.3068794E-02 1.0000000E+00 1.0000000E+00 34 1.3398703E-02 1.0000000E+00 1.0000000E+00 35 7.7821678E-03 1.0000000E+00 1.0000000E+00 36 4.5200000E-03 1.0000000E+00 1.0000000E+00 D+ 1 1.6500000E+05 1.0000000E+00 1.0000000E+00 2 9.9977070E+04 1.0000000E+00 1.0000000E+00 3 6.0578269E+04 1.0000000E+00 1.0000000E+00 4 3.6705684E+04 1.0000000E+00 1.0000000E+00 5 2.2240768E+04 1.0000000E+00 1.0000000E+00 6 1.3476162E+04 1.0000000E+00 1.0000000E+00 7 8.1654983E+03 1.0000000E+00 1.0000000E+00 8 4.9476521E+03 1.0000000E+00 1.0000000E+00 9 2.9978894E+03 1.0000000E+00 1.0000000E+00 10 1.8164861E+03 1.0000000E+00 1.0000000E+00 11 1.1006482E+03 1.0000000E+00 1.0000000E+00 12 6.6690656E+02 1.0000000E+00 1.0000000E+00 13 4.0409311E+02 1.0000000E+00 1.0000000E+00 14 2.4484876E+02 1.0000000E+00 1.0000000E+00 15 1.4835916E+02 1.0000000E+00 1.0000000E+00 16 8.9894024E+01 1.0000000E+00 1.0000000E+00 17 5.4468734E+01 1.0000000E+00 1.0000000E+00 18 3.3003784E+01 1.0000000E+00 1.0000000E+00 19 1.9997707E+01 1.0000000E+00 1.0000000E+00 20 1.2117043E+01 1.0000000E+00 1.0000000E+00 21 7.3419786E+00 1.0000000E+00 1.0000000E+00 22 4.4486637E+00 1.0000000E+00 1.0000000E+00 23 2.6955416E+00 1.0000000E+00 1.0000000E+00 24 1.6332869E+00 1.0000000E+00 1.0000000E+00 25 9.8964389E-01 1.0000000E+00 1.0000000E+00 26 5.9964664E-01 1.0000000E+00 1.0000000E+00 27 3.6333887E-01 1.0000000E+00 1.0000000E+00 28 2.2015488E-01 1.0000000E+00 1.0000000E+00 29 1.3339661E-01 1.0000000E+00 1.0000000E+00 30 8.0827890E-02 1.0000000E+00 1.0000000E+00 31 4.8975367E-02 1.0000000E+00 1.0000000E+00 32 2.9675234E-02 1.0000000E+00 1.0000000E+00 33 1.7980866E-02 1.0000000E+00 1.0000000E+00 34 1.0894996E-02 1.0000000E+00 1.0000000E+00 35 6.6015138E-03 1.0000000E+00 1.0000000E+00 36 4.0000000E-03 1.0000000E+00 1.0000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -9.8735842E+02 -1.4980401E+02 -2.9322084E+01 -4.7468932E+00 -2.8144032E-01 ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 -1.8634016E-06 6.3481369E-07 2.7768228E-07 -1.1755191E-07 2.9131730E-08 2 7.7575550E-06 -2.6420519E-06 -1.1556369E-06 4.8918097E-07 -1.2122611E-07 3 1.1232527E-06 -3.8333322E-07 -1.6812361E-07 7.2337264E-08 -1.8017202E-08 4 1.6476933E-05 -5.6165906E-06 -2.4565894E-06 1.0386880E-06 -2.5730857E-07 5 1.1896826E-05 -4.0602379E-06 -1.7779954E-06 7.5705680E-07 -1.8795334E-07 6 3.4204116E-05 -1.1679359E-05 -5.1090048E-06 2.1586379E-06 -5.3462320E-07 7 3.9052143E-05 -1.3350614E-05 -5.8468712E-06 2.4873389E-06 -6.1735421E-07 8 7.7073955E-05 -2.6388979E-05 -1.1547222E-05 4.8770536E-06 -1.2077234E-06 9 1.0811579E-04 -3.7065519E-05 -1.6238759E-05 6.9075034E-06 -1.7143678E-06 10 1.8915753E-04 -6.5016788E-05 -2.8464072E-05 1.2019277E-05 -2.9761017E-06 11 2.9468924E-04 -1.0144731E-04 -4.4471320E-05 1.8920487E-05 -4.6960934E-06 12 5.0394630E-04 -1.7411066E-04 -7.6277170E-05 3.2205001E-05 -7.9737867E-06 13 8.3807862E-04 -2.9010762E-04 -1.2727471E-04 5.4164362E-05 -1.3444573E-05 14 1.4579059E-03 -5.0696403E-04 -2.2229580E-04 9.3859262E-05 -2.3238678E-05 15 2.5447486E-03 -8.8721914E-04 -3.8962991E-04 1.6585168E-04 -4.1169058E-05 16 4.5546517E-03 -1.5974411E-03 -7.0130538E-04 2.9619166E-04 -7.3338072E-05 17 8.2275319E-03 -2.8996190E-03 -1.2753245E-03 5.4295571E-04 -1.3477822E-04 18 1.5028119E-02 -5.3499167E-03 -2.3538069E-03 9.9472225E-04 -2.4632878E-04 19 2.7445504E-02 -9.8924226E-03 -4.3649643E-03 1.8591282E-03 -4.6151007E-04 20 4.9609796E-02 -1.8308059E-02 -8.0976944E-03 3.4264067E-03 -8.4870681E-04 21 8.7016437E-02 -3.3304490E-02 -1.4825314E-02 6.3246502E-03 -1.5704238E-03 22 1.4366274E-01 -5.8702419E-02 -2.6361252E-02 1.1187913E-02 -2.7725840E-03 23 2.1198666E-01 -9.6460530E-02 -4.4085893E-02 1.8914087E-02 -4.7011043E-03 24 2.5547198E-01 -1.3885872E-01 -6.5235921E-02 2.7906827E-02 -6.9237784E-03 25 2.1611299E-01 -1.4656601E-01 -7.1906728E-02 3.1420670E-02 -7.8381720E-03 26 1.0056750E-01 -4.4552610E-02 -2.1493736E-02 8.8870806E-03 -2.1763379E-03 27 1.7327155E-02 2.2186899E-01 1.4477481E-01 -6.5624263E-02 1.6422273E-02 28 1.0337173E-03 4.7150986E-01 3.9690554E-01 -1.9448999E-01 4.9458820E-02 29 -4.6272189E-05 3.6679393E-01 4.0329158E-01 -2.0302040E-01 5.1678522E-02 30 4.9425073E-05 1.0429439E-01 -4.8345806E-02 2.1473398E-02 -4.6646324E-03 31 -1.1744282E-04 8.6305401E-03 -6.3906904E-01 5.0885454E-01 -1.4254733E-01 32 5.7021574E-05 8.4069101E-04 -5.2065074E-01 6.2915489E-01 -1.8556092E-01 33 -4.6638772E-05 -1.3599511E-04 -1.0440216E-01 -7.4135832E-02 3.8946654E-02 34 3.9486290E-05 -1.0157179E-04 -1.2777091E-02 -6.1661717E-01 2.3024146E-01 35 -2.7146319E-05 -2.4713145E-05 2.3714808E-03 -5.3573624E-01 2.5868209E-01 36 2.0955954E-05 -2.3112332E-05 -3.2946406E-03 -1.6235594E-01 1.4905164E-01 37 -1.5299264E-05 1.2296381E-05 2.2376815E-03 -1.9875756E-02 -3.4921153E-02 38 1.1101149E-05 -1.0719600E-05 -1.7088094E-03 1.8618212E-03 -2.4654500E-01 39 -7.8395862E-06 7.8406217E-06 1.2249546E-03 -2.2481921E-03 -3.9909509E-01 40 5.2902310E-06 -5.4312007E-06 -8.3712687E-04 1.5761875E-03 -3.6808688E-01 41 -3.2891031E-06 3.4163377E-06 5.2423676E-04 -1.0268120E-03 -1.4244578E-01 42 1.7597355E-06 -1.8380651E-06 -2.8165961E-04 5.6537196E-04 -1.3154528E-02 43 -7.0864998E-07 7.4329670E-07 1.1377792E-04 -2.3205272E-04 -4.9902681E-05 44 1.5607280E-07 -1.6473117E-07 -2.5150315E-05 5.1838571E-05 -2.4008243E-06 *** Small-Component *** 45 -2.6920015E-06 9.1720996E-07 4.0071716E-07 -1.6822092E-07 4.1576467E-08 46 4.8808434E-07 -1.7254367E-07 -7.3628667E-08 2.4853596E-08 -5.6587444E-09 47 1.8752263E-05 -6.3653496E-06 -2.7884762E-06 1.1961228E-06 -2.9766542E-07 48 2.0645058E-05 -7.0489899E-06 -3.0753603E-06 1.2763979E-06 -3.1429678E-07 49 4.8866263E-05 -1.6586092E-05 -7.2670614E-06 3.1207670E-06 -7.7690647E-07 50 6.7842509E-05 -2.3140829E-05 -1.0103444E-05 4.2185732E-06 -1.0408100E-06 51 1.1426691E-04 -3.8798953E-05 -1.6996841E-05 7.2892164E-06 -1.8138550E-06 52 1.6944100E-04 -5.7774520E-05 -2.5234592E-05 1.0568024E-05 -2.6098914E-06 53 2.6265985E-04 -8.9236012E-05 -3.9083648E-05 1.6728773E-05 -4.1602530E-06 54 3.9447665E-04 -1.3449759E-04 -5.8763736E-05 2.4662876E-05 -6.0950220E-06 55 5.9810219E-04 -2.0335575E-04 -8.9051878E-05 3.8049610E-05 -9.4572423E-06 56 8.9911668E-04 -3.0667889E-04 -1.3403344E-04 5.6349353E-05 -1.3933454E-05 57 1.3535853E-03 -4.6082922E-04 -2.0179613E-04 8.6098262E-05 -2.1389906E-05 58 2.0309431E-03 -6.9373273E-04 -3.0331956E-04 1.2769850E-04 -3.1589943E-05 59 3.0435385E-03 -1.0391783E-03 -4.5516332E-04 1.9398265E-04 -4.8174645E-05 60 4.5445170E-03 -1.5588652E-03 -6.8210966E-04 2.8751890E-04 -7.1152529E-05 61 6.7548290E-03 -2.3235828E-03 -1.0186983E-03 4.3383021E-04 -1.0771092E-04 62 9.9563956E-03 -3.4567629E-03 -1.5154441E-03 6.3954818E-04 -1.5832181E-04 63 1.4477453E-02 -5.0848824E-03 -2.2358902E-03 9.5209335E-04 -2.3635540E-04 64 2.0557206E-02 -7.3930039E-03 -3.2582562E-03 1.3772747E-03 -3.4107043E-04 65 2.8036045E-02 -1.0459761E-02 -4.6403471E-03 1.9787092E-03 -4.9129531E-04 66 3.5669161E-02 -1.4219654E-02 -6.3646451E-03 2.6991007E-03 -6.6878884E-04 67 4.0286795E-02 -1.7903753E-02 -8.1584256E-03 3.4984635E-03 -8.6948449E-04 68 3.6961273E-02 -1.9653708E-02 -9.2095164E-03 3.9375073E-03 -9.7681167E-04 69 2.3702622E-02 -1.5775093E-02 -7.7272879E-03 3.3755646E-03 -8.4202519E-04 70 8.3343049E-03 -3.7094575E-03 -1.8037873E-03 7.4832645E-04 -1.8342204E-04 71 1.0828136E-03 1.3460753E-02 8.7461489E-03 -3.9608205E-03 9.9101111E-04 72 4.8125516E-05 2.1661585E-02 1.8176492E-02 -8.9023950E-03 2.2637133E-03 73 -1.5463873E-06 1.2703501E-02 1.3934571E-02 -7.0134219E-03 1.7852047E-03 74 1.2311804E-06 2.7193682E-03 -1.2427530E-03 5.4805823E-04 -1.1853580E-04 75 -2.2691132E-06 1.6939011E-04 -1.2495863E-02 9.9431985E-03 -2.7851382E-03 76 8.0995697E-07 1.2316325E-05 -7.6654043E-03 9.2579452E-03 -2.7304283E-03 77 -4.9070581E-07 -1.4591797E-06 -1.1563748E-03 -8.1970471E-04 4.3068905E-04 78 3.0843424E-07 -8.8418735E-07 -1.0669139E-04 -5.1365710E-03 1.9178082E-03 79 -1.5361529E-07 -1.2865463E-07 1.5012655E-05 -3.3583344E-03 1.6214247E-03 80 8.6004234E-08 -1.2827430E-07 -1.5645753E-05 -7.6575583E-04 7.0297628E-04 81 -4.4534433E-08 5.7471016E-08 8.0161544E-06 -7.0571449E-05 -1.2390997E-04 82 2.2392317E-08 -3.8491193E-08 -4.6156566E-06 4.9941676E-06 -6.5833053E-04 83 -1.0501309E-08 2.2662209E-08 2.4975755E-06 -4.5330673E-06 -8.0185254E-04 84 4.3284292E-09 -1.2883746E-08 -1.2898723E-06 2.3936909E-06 -5.5647589E-04 85 -1.3193295E-09 6.8463341E-09 6.1151994E-07 -1.1748620E-06 -1.6203675E-04 86 8.0663064E-11 -3.2257030E-09 -2.4941541E-07 4.8770645E-07 -1.1260243E-05 87 1.8986034E-10 1.1935008E-09 7.6829735E-08 -1.5107886E-07 -3.1794262E-08 88 -8.7415408E-11 -2.5491026E-10 -1.3049976E-08 2.5517757E-08 -1.2480007E-09 2P- 3P- 4P- -1.3902264E+02 -2.4955000E+01 -3.2706865E+00 ------------ ------------ ------------ *** Large-Component *** 1 -9.8981763E-08 4.4896275E-08 -1.8057537E-08 2 -8.8471449E-08 4.0324895E-08 -1.6296719E-08 3 1.1774245E-06 -5.3492782E-07 2.1548923E-07 4 7.8049828E-07 -3.5362624E-07 1.4207460E-07 5 2.9391833E-06 -1.3356296E-06 5.3815111E-07 6 3.1743594E-06 -1.4391224E-06 5.7853653E-07 7 6.5578307E-06 -2.9807071E-06 1.2012274E-06 8 8.6864913E-06 -3.9381874E-06 1.5831851E-06 9 1.4826473E-05 -6.7411398E-06 2.7174110E-06 10 2.1420423E-05 -9.7095666E-06 3.9024553E-06 11 3.4246169E-05 -1.5578572E-05 6.2824282E-06 12 5.1574047E-05 -2.3370449E-05 9.3890897E-06 13 8.1231562E-05 -3.6983495E-05 1.4923714E-05 14 1.2625073E-04 -5.7193057E-05 2.2963860E-05 15 2.0226884E-04 -9.2220414E-05 3.7245122E-05 16 3.2928891E-04 -1.4920542E-04 5.9873520E-05 17 5.5773867E-04 -2.5488408E-04 1.0304165E-04 18 9.8779199E-04 -4.4846990E-04 1.7995878E-04 19 1.8543968E-03 -8.5073834E-04 3.4420690E-04 20 3.6987786E-03 -1.6892554E-03 6.7876386E-04 21 7.7830804E-03 -3.5985957E-03 1.4572956E-03 22 1.6966745E-02 -7.8612846E-03 3.1695115E-03 23 3.7224670E-02 -1.7582298E-02 7.1434317E-03 24 7.9070248E-02 -3.8047701E-02 1.5458203E-02 25 1.5296597E-01 -7.6442638E-02 3.1381344E-02 26 2.5004691E-01 -1.3002301E-01 5.3642534E-02 27 3.0793890E-01 -1.6650633E-01 6.9660514E-02 28 2.3359064E-01 -8.2046960E-02 2.8436490E-02 29 8.6935680E-02 1.6355665E-01 -9.3750647E-02 30 1.2072003E-02 4.2529316E-01 -2.5069279E-01 31 8.5054090E-04 3.9887652E-01 -2.6307781E-01 32 7.0230346E-06 1.3607839E-01 7.4322847E-02 33 -5.1589481E-05 1.7885986E-02 4.0798754E-01 34 -4.0015180E-05 4.6437396E-04 4.2981391E-01 35 -7.7962161E-06 1.1930323E-03 2.2514249E-01 36 -6.9323754E-06 -6.0507173E-04 5.4673021E-02 37 1.6003591E-06 5.1791221E-04 6.7593868E-03 38 -1.6365536E-06 -3.8066777E-04 1.0731961E-03 39 1.1455331E-06 2.6903111E-04 2.5745085E-04 40 -7.5358689E-07 -1.8574853E-04 -1.2726449E-06 41 4.7994107E-07 1.1850845E-04 2.1842212E-05 42 -2.6704319E-07 -6.6476615E-05 -1.2307395E-05 43 1.1496918E-07 2.8935891E-05 5.4543546E-06 44 -2.8123087E-08 -7.1673003E-06 -1.3489078E-06 *** Small-Component *** 45 -2.4975922E-08 1.0505701E-08 -3.9090683E-09 46 5.1041831E-08 -2.0080543E-08 6.8971534E-09 47 1.4763872E-07 -7.3800098E-08 3.2302655E-08 48 2.9128935E-07 -1.2048232E-07 4.3980765E-08 49 5.3063301E-07 -2.5943090E-07 1.1151858E-07 50 8.7358144E-07 -3.6941499E-07 1.3823259E-07 51 1.4215754E-06 -6.8518574E-07 2.9098504E-07 52 2.2598867E-06 -9.7058308E-07 3.6924218E-07 53 3.5869010E-06 -1.7092123E-06 7.1858215E-07 54 5.7084955E-06 -2.4830857E-06 9.5699603E-07 55 9.1289000E-06 -4.3075959E-06 1.7946991E-06 56 1.4800736E-05 -6.5120329E-06 2.5379165E-06 57 2.4258505E-05 -1.1348725E-05 4.6891069E-06 58 4.0544730E-05 -1.8027277E-05 7.0944953E-06 59 6.8836526E-05 -3.1973442E-05 1.3113367E-05 60 1.1943272E-04 -5.3603823E-05 2.1267844E-05 61 2.1079972E-04 -9.7416564E-05 3.9715348E-05 62 3.7922168E-04 -1.7161766E-04 6.8522104E-05 63 6.9096051E-04 -3.1873054E-04 1.2941878E-04 64 1.2708215E-03 -5.8015864E-04 2.3275048E-04 65 2.3344716E-03 -1.0816025E-03 4.3850208E-04 66 4.2359595E-03 -1.9629927E-03 7.9116175E-04 67 7.4500949E-03 -3.5213798E-03 1.4311129E-03 68 1.2357228E-02 -5.9481882E-03 2.4165815E-03 69 1.8347693E-02 -9.1763565E-03 3.7677417E-03 70 2.2769532E-02 -1.1853714E-02 4.8911694E-03 71 2.1135031E-02 -1.1454987E-02 4.7945230E-03 72 1.1996006E-02 -4.2326044E-03 1.4692784E-03 73 3.2769320E-03 6.3751524E-03 -3.6480882E-03 74 2.7614283E-04 1.2405327E-02 -7.3073004E-03 75 -3.1320547E-05 8.7142738E-03 -5.7454970E-03 76 -3.2209653E-05 2.2273697E-03 1.2105892E-03 77 -2.1540989E-05 2.2033272E-04 4.9898119E-03 78 -1.3991644E-05 5.1163315E-06 3.9361264E-03 79 -8.7397033E-06 8.7514983E-06 1.5433079E-03 80 -5.8770912E-06 -2.7408671E-06 2.8006939E-04 81 -3.4650159E-06 2.2188541E-06 2.5595139E-05 82 -2.6972862E-06 -9.2693630E-07 2.7676258E-06 83 -1.1250975E-06 6.5438949E-07 4.2911773E-07 84 -1.5673430E-06 -2.0098706E-07 -1.8806871E-07 85 7.3589579E-08 1.3945570E-07 3.7266730E-08 86 -1.2668875E-06 2.0438454E-08 -1.5991667E-07 87 5.5704448E-07 -1.5825318E-08 6.9142605E-08 88 -7.3270956E-07 4.3217012E-08 -8.6128492E-08 2P+ 3P+ 4P+ -1.3191537E+02 -2.3645920E+01 -3.0460348E+00 ------------ ------------ ------------ *** Large-Component *** 1 3.5676276E-08 -1.6465392E-08 6.5910881E-09 2 -4.6525279E-08 2.1845357E-08 -8.6902568E-09 3 1.1717848E-07 -5.5016349E-08 2.1888569E-08 4 -4.9085671E-08 2.5172574E-08 -9.7091402E-09 5 2.2823674E-07 -1.0945035E-07 4.3226975E-08 6 1.1425102E-07 -4.3961943E-08 1.8888690E-08 7 5.9027065E-07 -2.8493397E-07 1.1231296E-07 8 8.7722208E-07 -3.7814596E-07 1.5539309E-07 9 2.2043143E-06 -1.0523733E-06 4.1661614E-07 10 4.4123624E-06 -1.9553725E-06 7.9551304E-07 11 9.9824304E-06 -4.7031326E-06 1.8715301E-06 12 2.1918640E-05 -9.8636872E-06 3.9920224E-06 13 4.9792754E-05 -2.3240826E-05 9.2844799E-06 14 1.1378190E-04 -5.1718324E-05 2.0868438E-05 15 2.6348831E-04 -1.2236849E-04 4.9016178E-05 16 6.1441899E-04 -2.8137721E-04 1.1336733E-04 17 1.4371449E-03 -6.6715743E-04 2.6778553E-04 18 3.3531651E-03 -1.5485788E-03 6.2389187E-04 19 7.7359295E-03 -3.6157302E-03 1.4548208E-03 20 1.7472534E-02 -8.2016109E-03 3.3114620E-03 21 3.8038838E-02 -1.8198756E-02 7.3587382E-03 22 7.7861384E-02 -3.8021084E-02 1.5459268E-02 23 1.4359653E-01 -7.2637248E-02 2.9690369E-02 24 2.2668295E-01 -1.1923492E-01 4.9206200E-02 25 2.8138900E-01 -1.5457186E-01 6.4334987E-02 26 2.3691302E-01 -1.0586134E-01 4.1272270E-02 27 1.1584723E-01 7.1337534E-02 -4.6222370E-02 28 2.7171455E-02 3.0962602E-01 -1.7330483E-01 29 2.6406061E-03 4.2103679E-01 -2.7205125E-01 30 3.1897020E-04 2.5876361E-01 -1.3700037E-01 31 -9.0910414E-05 6.9871954E-02 1.8762847E-01 32 -2.3811122E-05 8.5412839E-03 3.9532999E-01 33 -4.9109032E-05 1.1739488E-03 3.7026394E-01 34 4.9128356E-06 3.0573704E-04 1.9803738E-01 35 -1.5390058E-05 7.1353222E-05 5.8114619E-02 36 7.9151978E-06 1.0608883E-05 8.8783842E-03 37 -6.5296380E-06 -2.8080376E-06 2.0096672E-03 38 4.7369717E-06 -2.1279385E-06 1.2978594E-04 39 -3.3342700E-06 -4.7998987E-07 2.7385518E-04 40 2.2710041E-06 -1.0282749E-07 -1.3331741E-04 41 -1.4211657E-06 4.0953843E-08 8.9907247E-05 42 7.6898781E-07 -2.7815466E-08 -4.9384243E-05 43 -3.1636581E-07 1.3287105E-08 2.0549815E-05 44 7.2524735E-08 -3.3681457E-09 -4.7489606E-06 *** Small-Component *** 45 8.7692370E-08 -4.1701909E-08 1.6512201E-08 46 -5.6417563E-08 3.2065281E-08 -1.1961219E-08 47 2.0689656E-07 -1.0903568E-07 4.1678629E-08 48 6.4846913E-08 -4.0815495E-09 5.3736492E-09 49 4.1807624E-07 -2.3160975E-07 8.7103485E-08 50 5.5693622E-07 -1.9595175E-07 8.7266304E-08 51 1.2448139E-06 -6.5322050E-07 2.5005428E-07 52 2.2376368E-06 -9.0897555E-07 3.8172152E-07 53 4.3535156E-06 -2.1511671E-06 8.4048021E-07 54 8.2354028E-06 -3.5555392E-06 1.4586867E-06 55 1.5700347E-05 -7.4811531E-06 2.9606661E-06 56 2.9879726E-05 -1.3289446E-05 5.3927668E-06 57 5.6760441E-05 -2.6538522E-05 1.0576543E-05 58 1.0782051E-04 -4.8695106E-05 1.9657219E-05 59 2.0406481E-04 -9.4584012E-05 3.7839152E-05 60 3.8508492E-04 -1.7553538E-04 7.0699269E-05 61 7.2124410E-04 -3.3373595E-04 1.3383942E-04 62 1.3366913E-03 -6.1485450E-04 2.4756896E-04 63 2.4322374E-03 -1.1328455E-03 4.5548248E-04 64 4.3083114E-03 -2.0150312E-03 8.1308523E-04 65 7.3218166E-03 -3.4913050E-03 1.4108407E-03 66 1.1655705E-02 -5.6736938E-03 2.3056347E-03 67 1.6666647E-02 -8.4070214E-03 3.4346417E-03 68 2.0352948E-02 -1.0678742E-02 4.4050798E-03 69 1.9516984E-02 -1.0699009E-02 4.4517513E-03 70 1.2678348E-02 -5.6614855E-03 2.2082290E-03 71 4.7784918E-03 2.9223400E-03 -1.8937744E-03 72 8.6352592E-04 9.8039178E-03 -5.4849523E-03 73 6.4550569E-05 1.0275836E-02 -6.6369503E-03 74 6.0345034E-06 4.8654667E-03 -2.5758337E-03 75 -1.3417339E-06 1.0118802E-03 2.7150777E-03 76 -2.4874821E-07 9.5271484E-05 4.4068119E-03 77 -4.3450810E-07 1.0075152E-05 3.1789397E-03 78 4.1649507E-08 2.0263607E-06 1.3094847E-03 79 -8.5113150E-08 3.6031147E-07 2.9595963E-04 80 3.5951574E-08 4.3788879E-08 3.4816418E-05 81 -2.3286921E-08 -1.0057716E-08 6.0739445E-06 82 1.3582961E-08 -3.8270424E-09 2.9927847E-07 83 -7.7828326E-09 -1.6502694E-09 4.9250079E-07 84 4.3655233E-09 3.9313900E-10 -1.8521773E-07 85 -2.2935566E-09 -2.9515267E-10 9.6343528E-08 86 1.0669543E-09 1.6624973E-10 -4.0864701E-08 87 -3.8939616E-10 -7.4092470E-11 1.3147801E-08 88 8.2496807E-11 1.9072484E-11 -2.3541574E-09 3D- 4D- -1.6000971E+01 -7.3824099E-01 ------------ ------------ *** Large-Component *** 1 -1.1195916E-07 -3.7907281E-08 2 1.0420829E-07 3.5201514E-08 3 -3.2488347E-07 -1.0980259E-07 4 2.4308111E-08 7.6522392E-09 5 -7.0840595E-07 -2.3888782E-07 6 -6.3367587E-07 -2.1687350E-07 7 -2.2226157E-06 -7.4921642E-07 8 -3.7904297E-06 -1.2919339E-06 9 -9.8909846E-06 -3.3394836E-06 10 -2.1863904E-05 -7.4376903E-06 11 -5.8344814E-05 -1.9745604E-05 12 -1.5185734E-04 -5.1619755E-05 13 -4.3376219E-04 -1.4719275E-04 14 -1.2338712E-03 -4.1999817E-04 15 -3.6009660E-03 -1.2273065E-03 16 -1.0097312E-02 -3.4556287E-03 17 -2.6514933E-02 -9.1151935E-03 18 -6.2770899E-02 -2.1779446E-02 19 -1.3085054E-01 -4.5916184E-02 20 -2.1945848E-01 -7.6462585E-02 21 -2.8850349E-01 -9.6813884E-02 22 -2.7674195E-01 -7.9508678E-02 23 -1.6161763E-01 2.5857788E-02 24 -5.1085489E-02 1.7911053E-01 25 -7.9297753E-03 2.7672345E-01 26 -7.3744796E-04 2.8643079E-01 27 -7.8462208E-05 2.2837721E-01 28 -1.7017607E-05 1.4223356E-01 29 6.6870556E-06 6.4278143E-02 30 -4.9937411E-06 1.8058644E-02 31 3.8971123E-06 2.1535872E-03 32 -2.6674130E-06 1.6172780E-04 33 1.7277085E-06 -4.8608889E-05 34 -9.8311491E-07 3.0166960E-05 35 4.3910990E-07 -1.3998382E-05 36 -1.1316985E-07 3.7128233E-06 *** Small-Component *** 37 -1.8316405E-08 -6.0589571E-09 38 1.1332769E-08 3.3075177E-09 39 -6.2331490E-08 -1.9977446E-08 40 -6.5189372E-09 -4.1941590E-09 41 -1.9718341E-07 -6.3745570E-08 42 -1.8714425E-07 -6.8004082E-08 43 -7.8815826E-07 -2.6062297E-07 44 -1.3293248E-06 -4.6002578E-07 45 -3.8484097E-06 -1.2918130E-06 46 -8.1902781E-06 -2.7962814E-06 47 -2.1091014E-05 -7.1294804E-06 48 -4.8815003E-05 -1.6605548E-05 49 -1.1964135E-04 -4.0592451E-05 50 -2.7944333E-04 -9.5131888E-05 51 -6.5280166E-04 -2.2248659E-04 52 -1.4374229E-03 -4.9194633E-04 53 -2.9300262E-03 -1.0072782E-03 54 -5.3423846E-03 -1.8536658E-03 55 -8.5384060E-03 -2.9964083E-03 56 -1.0950475E-02 -3.8160298E-03 57 -1.0991349E-02 -3.6892282E-03 58 -8.0421032E-03 -2.3115156E-03 59 -3.5790007E-03 5.7302051E-04 60 -8.6030399E-04 3.0269013E-03 61 -1.0037586E-04 3.5646178E-03 62 -6.3097481E-06 2.8121394E-03 63 -1.1978401E-07 1.7088286E-03 64 1.4420740E-07 8.1108752E-04 65 1.4791407E-07 2.7933534E-04 66 4.6851936E-08 5.9798450E-05 67 3.8873883E-08 5.4260077E-06 68 1.2953240E-08 3.0585706E-07 69 7.8850016E-09 -7.3479387E-08 70 5.8962814E-09 3.1653322E-08 71 -4.2243168E-10 -1.1776674E-08 72 2.9683193E-09 1.4378496E-09 3D+ 4D+ -1.5738280E+01 -7.0889316E-01 ------------ ------------ *** Large-Component *** 1 2.9666328E-08 9.5838227E-09 2 -1.2237965E-08 -2.2512788E-09 3 1.2946872E-07 3.8333734E-08 4 1.4870082E-07 6.1572277E-08 5 6.7326365E-07 2.0367171E-07 6 1.6814995E-06 6.0808540E-07 7 5.1674091E-06 1.6623381E-06 8 1.4863305E-05 5.1373533E-06 9 4.3878806E-05 1.4533904E-05 10 1.2804052E-04 4.3542822E-05 11 3.7181514E-04 1.2460954E-04 12 1.0649947E-03 3.6077196E-04 13 2.9916986E-03 1.0098173E-03 14 8.0729551E-03 2.7435202E-03 15 2.0292911E-02 6.9089316E-03 16 4.6602544E-02 1.6011498E-02 17 9.6318835E-02 3.3421164E-02 18 1.6891149E-01 5.8855428E-02 19 2.4061806E-01 8.1798016E-02 20 2.7510495E-01 8.9148420E-02 21 2.2471768E-01 4.8346285E-02 22 1.1458628E-01 -6.3594567E-02 23 3.4189415E-02 -1.8757372E-01 24 5.3135809E-03 -2.5841863E-01 25 6.9974675E-04 -2.6151369E-01 26 3.8600096E-06 -2.1396583E-01 27 7.7307025E-05 -1.4220090E-01 28 -5.1259941E-05 -7.3472796E-02 29 3.9495614E-05 -2.6228076E-02 30 -2.9834638E-05 -5.2118229E-03 31 2.1549997E-05 -4.0633339E-04 32 -1.4913031E-05 -2.1093877E-05 33 9.5328108E-06 5.7134090E-06 34 -5.3035984E-06 -3.2933984E-06 35 2.2706899E-06 1.4325048E-06 36 -5.5211514E-07 -3.5420511E-07 *** Small-Component *** 37 5.5505109E-08 1.7331491E-08 38 -5.1348717E-09 3.3703383E-09 39 1.7637906E-07 4.7890367E-08 40 2.2570950E-07 9.5988041E-08 41 7.1365163E-07 2.0858156E-07 42 1.5547735E-06 5.6870076E-07 43 3.8145889E-06 1.2179230E-06 44 8.9422472E-06 3.0979169E-06 45 2.1135328E-05 6.9874942E-06 46 4.9227463E-05 1.6741466E-05 47 1.1336268E-04 3.7963112E-05 48 2.5646465E-04 8.6844061E-05 49 5.6695033E-04 1.9126798E-04 50 1.2004989E-03 4.0780338E-04 51 2.3622151E-03 8.0390270E-04 52 4.2391804E-03 1.4559231E-03 53 6.8388957E-03 2.3721572E-03 54 9.3515833E-03 3.2574945E-03 55 1.0378976E-02 3.5274493E-03 56 9.2423028E-03 2.9944292E-03 57 5.8788359E-03 1.2650249E-03 58 2.3338029E-03 -1.2941259E-03 59 5.4207641E-04 -2.9724782E-03 60 6.5572621E-05 -3.1880016E-03 61 6.7255424E-06 -2.5113801E-03 62 2.6026473E-08 -1.5994749E-03 63 4.5200230E-07 -8.2745893E-04 64 -2.3374142E-07 -3.3279789E-04 65 1.4037994E-07 -9.2475959E-05 66 -8.2687548E-08 -1.4304191E-05 67 4.6602491E-08 -8.6803608E-07 68 -2.5179375E-08 -3.5112159E-08 69 1.2578450E-08 7.4171787E-09 70 -5.4780615E-09 -3.3305979E-09 71 1.8412741E-09 1.1290147E-09 72 -3.5326505E-10 -2.1770322E-10 RADIAL MOMENTS Sym Orb S+ 1 5.50405E+03 5.06423E+01 3.03899E-02 1.24918E-03 6.48244E-05 4.06842E-06 2 6.27759E+02 1.17165E+01 1.31056E-01 2.03159E-02 3.58779E-03 7.14231E-04 3 1.21900E+02 4.12690E+00 3.56088E-01 1.45096E-01 6.53044E-02 3.22097E-02 4 2.24948E+01 1.55358E+00 8.85227E-01 8.86890E-01 9.78685E-01 1.18306E+00 5 1.48986E+00 4.12831E-01 3.08879E+00 1.10942E+01 4.56661E+01 2.13744E+02 P- 1 2.01450E+02 1.16595E+01 1.11323E-01 1.52301E-02 2.47712E-03 4.68155E-04 2 3.89575E+01 4.02374E+00 3.48126E-01 1.40839E-01 6.36574E-02 3.18609E-02 3 6.77505E+00 1.43192E+00 9.47941E-01 1.02864E+00 1.24511E+00 1.67468E+00 P+ 1 1.62737E+02 1.09299E+01 1.16450E-01 1.65380E-02 2.78170E-03 5.42483E-04 2 3.18002E+01 3.84931E+00 3.58712E-01 1.49341E-01 6.94270E-02 3.57261E-02 3 5.57010E+00 1.37962E+00 9.76734E-01 1.09245E+00 1.36406E+00 1.89437E+00 D- 1 1.70516E+01 3.67584E+00 3.31545E-01 1.30634E-01 6.00069E-02 3.16552E-02 2 2.14190E+00 1.06639E+00 1.25408E+00 1.89472E+00 3.38876E+00 7.14391E+00 D+ 1 1.65479E+01 3.63016E+00 3.34993E-01 1.33219E-01 6.17241E-02 3.28303E-02 2 2.05778E+00 1.04892E+00 1.27424E+00 1.95881E+00 3.57053E+00 7.68262E+00 *******************************************************************************************