************************************************************************************************** B [He]2s(2)2p(1) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 5.0 Atomic Mass = 11.0 Nuclear Radius = 5.926454E-05 Speed of Light = 137.0359955 S+ P- P+ Number of Closed Shells 2 0 0 Open Shells 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.33333333 0.0 1.0 0.0 0.0 0.0 0.0 0.0 2 0.66666667 0.0 0.0 1.0 0.0 0.0 0.0 0.0 ENERGIES Total Energy = -2.45365542415953E+01 Mass Energy = -2.45365534427176E+01 Kinetic Energy = 4.90881066099544E+01 Potential Energy = -4.90881074088321E+01 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 SPINOR ENERGIES AND VECTORS 1S+ 2S+ -7.6976444E+00 -4.9491922E-01 ------------ ------------ *** Large-Component *** 1 2.4861961E-09 -5.0227555E-10 2 -1.7403034E-09 3.5166116E-10 3 6.9783092E-09 -1.4099422E-09 4 -7.4062477E-10 1.5018341E-10 5 1.3503599E-08 -2.7293446E-09 6 8.2062099E-09 -1.6554287E-09 7 3.1191039E-08 -6.3056546E-09 8 4.0875794E-08 -8.2525852E-09 9 9.2953559E-08 -1.8787292E-08 10 1.6016583E-07 -3.2351957E-08 11 3.2450474E-07 -6.5573599E-08 12 6.1586939E-07 -1.2442225E-07 13 1.2265669E-06 -2.4784301E-07 14 2.4142820E-06 -4.8778094E-07 15 4.8286422E-06 -9.7569438E-07 16 9.6562561E-06 -1.9510441E-06 17 1.9433136E-05 -3.9269268E-06 18 3.9166355E-05 -7.9143455E-06 19 7.9167099E-05 -1.6000065E-05 20 1.6017599E-04 -3.2375926E-05 21 3.2446375E-04 -6.5607447E-05 22 6.5721326E-04 -1.3295547E-04 23 1.3305537E-03 -2.6944794E-04 24 2.6879225E-03 -5.4522725E-04 25 5.4080974E-03 -1.1003367E-03 26 1.0793074E-02 -2.2074421E-03 27 2.1226295E-02 -4.3812952E-03 28 4.0646583E-02 -8.5220587E-03 29 7.4382187E-02 -1.6012967E-02 30 1.2664066E-01 -2.8494656E-02 31 1.9372826E-01 -4.7113791E-02 32 2.5109153E-01 -7.1088694E-02 33 2.4382366E-01 -9.3249700E-02 34 1.4275968E-01 -8.7616024E-02 35 3.7003428E-02 -1.3689152E-02 36 2.9587784E-03 1.2961913E-01 37 3.2454934E-04 2.8106826E-01 38 1.8318685E-04 3.5777895E-01 39 4.0571746E-05 2.7362399E-01 40 3.1179227E-05 9.2676056E-02 41 -1.0057790E-05 7.4482037E-03 42 6.2583682E-06 2.3770003E-04 43 -2.4779490E-06 -7.5481236E-05 44 5.3097727E-07 1.6517729E-05 *** Small-Component *** 45 1.6632050E-08 -3.3597703E-09 46 2.8596355E-08 -5.7759686E-09 47 3.9197244E-08 -7.9187499E-09 48 7.7955082E-08 -1.5745092E-08 49 1.0796474E-07 -2.1811439E-08 50 1.8091144E-07 -3.6539664E-08 51 2.6939567E-07 -5.4423647E-08 52 4.2248336E-07 -8.5332104E-08 53 6.4332000E-07 -1.2996247E-07 54 9.9107961E-07 -2.0017873E-07 55 1.5167734E-06 -3.0641217E-07 56 2.3263173E-06 -4.6987877E-07 57 3.5636685E-06 -7.1991165E-07 58 5.4597210E-06 -1.1028004E-06 59 8.3645589E-06 -1.6897684E-06 60 1.2811246E-05 -2.5878263E-06 61 1.9625578E-05 -3.9648294E-06 62 3.0053597E-05 -6.0713191E-06 63 4.6026877E-05 -9.2999045E-06 64 7.0454984E-05 -1.4237132E-05 65 1.0782041E-04 -2.1796004E-05 66 1.6483688E-04 -3.3338240E-05 67 2.5168189E-04 -5.0954773E-05 68 3.8323455E-04 -7.7717189E-05 69 5.8093675E-04 -1.1816919E-04 70 8.7322022E-04 -1.7855219E-04 71 1.2931138E-03 -2.6684940E-04 72 1.8641711E-03 -3.9076212E-04 73 2.5678097E-03 -5.5268516E-04 74 3.2903885E-03 -7.4021098E-04 75 3.7879966E-03 -9.2105694E-04 76 3.6946031E-03 -1.0458213E-03 77 2.6996997E-03 -1.0323031E-03 78 1.1894219E-03 -7.2986076E-04 79 2.3198074E-04 -8.5825285E-05 80 1.3957250E-05 6.1130796E-04 81 1.1516761E-06 9.9743472E-04 82 4.8936121E-07 9.5535172E-04 83 8.1404394E-08 5.4976508E-04 84 4.7198131E-08 1.4010850E-04 85 -1.1454197E-08 8.4727047E-06 86 5.3421156E-09 2.0344790E-07 87 -1.5818788E-09 -4.8606612E-08 88 2.5336823E-10 8.0027705E-09 2P- -3.0981348E-01 ------------ *** Large-Component *** 1 2.5481008E-11 2 5.8860120E-11 3 5.4269427E-11 4 1.5941300E-10 5 1.6967879E-10 6 3.5362177E-10 7 4.6426281E-10 8 8.0429199E-10 9 1.1654146E-09 10 1.8883548E-09 11 2.8417249E-09 12 4.5205057E-09 13 6.9481386E-09 14 1.1108375E-08 15 1.7582747E-08 16 2.9119866E-08 17 4.9196717E-08 18 8.9197070E-08 19 1.7133752E-07 20 3.6066835E-07 21 8.1362290E-07 22 1.9713367E-06 23 4.9845065E-06 24 1.3041431E-05 25 3.4658593E-05 26 9.2939622E-05 27 2.4838679E-04 28 6.5455719E-04 29 1.6695661E-03 30 4.0427473E-03 31 9.1657856E-03 32 1.9660476E-02 33 4.0995017E-02 34 8.1666426E-02 35 1.4405391E-01 36 2.1365177E-01 37 2.6219969E-01 38 2.5054857E-01 39 1.5698350E-01 40 4.6710272E-02 41 3.4957417E-03 42 1.0606021E-04 43 -3.7094796E-05 44 9.1355663E-06 *** Small-Component *** 45 9.5546594E-13 46 1.2678796E-12 47 1.6910023E-12 48 5.5947072E-12 49 4.3688519E-12 50 1.6061746E-11 51 1.5433049E-11 52 4.5376827E-11 53 5.6954956E-11 54 1.3983517E-10 55 2.1449276E-10 56 4.7637985E-10 57 8.3187971E-10 58 1.7610243E-09 59 3.3201081E-09 60 6.8894342E-09 61 1.3547935E-08 62 2.7923923E-08 63 5.6150850E-08 64 1.1549076E-07 65 2.3498167E-07 66 4.8295477E-07 67 9.8780110E-07 68 2.0274125E-06 69 4.1449842E-06 70 8.4528666E-06 71 1.7064238E-05 72 3.3836377E-05 73 6.4798056E-05 74 1.1765494E-04 75 1.9988115E-04 76 3.2113592E-04 77 5.0145450E-04 78 7.4800241E-04 79 9.8791470E-04 80 1.0970242E-03 81 1.0079767E-03 82 7.2111832E-04 83 3.3827387E-04 84 7.5340543E-05 85 4.2233958E-06 86 8.0019926E-08 87 -1.8132790E-08 88 -4.5611671E-09 2P+ -3.0972050E-01 ------------ *** Large-Component *** 1 6.4649079E-13 2 -7.8526315E-13 3 2.3075746E-12 4 -4.4837822E-13 5 6.0637892E-12 6 5.7400513E-12 7 2.3343866E-11 8 4.4898469E-11 9 1.1975051E-10 10 2.7989664E-10 11 6.9095897E-10 12 1.6956658E-09 13 4.1556072E-09 14 1.0313850E-08 15 2.5399459E-08 16 6.3201599E-08 17 1.5639430E-07 18 3.8938804E-07 19 9.6635346E-07 20 2.4055271E-06 21 5.9747995E-06 22 1.4848442E-05 23 3.6789066E-05 24 9.0839963E-05 25 2.2237498E-04 26 5.3630264E-04 27 1.2590717E-03 28 2.8380424E-03 29 6.0684780E-03 30 1.2317677E-02 31 2.4181356E-02 32 4.6519195E-02 33 8.4757862E-02 34 1.3796177E-01 35 1.9439844E-01 36 2.3487914E-01 37 2.3310727E-01 38 1.6959112E-01 39 7.3398010E-02 40 1.3183068E-02 41 5.3800632E-04 42 -9.0678486E-06 43 6.9349557E-06 44 -2.0081141E-06 *** Small-Component *** 45 9.3302865E-12 46 -6.3227198E-12 47 2.1285249E-11 48 7.7020381E-12 49 4.1130890E-11 50 6.2604556E-11 51 1.2563494E-10 52 2.4754436E-10 53 4.5688043E-10 54 9.1030653E-10 55 1.6992614E-09 56 3.3342216E-09 57 6.3081596E-09 58 1.2247993E-08 59 2.3350095E-08 60 4.5084361E-08 61 8.6273763E-08 62 1.6608905E-07 63 3.1831161E-07 64 6.1161221E-07 65 1.1719155E-06 66 2.2459361E-06 67 4.2899336E-06 68 8.1643243E-06 69 1.5401555E-05 70 2.8619375E-05 71 5.1763482E-05 72 8.9882324E-05 73 1.4804285E-04 74 2.3145416E-04 75 3.4996708E-04 76 5.1853393E-04 77 7.2763992E-04 78 9.1218268E-04 79 9.8991778E-04 80 9.2115427E-04 81 7.0408398E-04 82 3.9450448E-04 83 1.3149611E-04 84 1.8189671E-05 85 5.7170435E-07 86 -7.4175602E-09 87 4.3696338E-09 88 -9.7444602E-10 RADIAL MOMENTS Sym Orb

S+ 1 4.46226E+01 4.67722E+00 3.25737E-01 1.43262E-01 7.95937E-02 5.35623E-02 2 2.02924E+00 7.13269E-01 1.97638E+00 4.70605E+00 1.31744E+01 4.27489E+01 P- 1 5.30349E-01 6.05121E-01 2.20462E+00 6.14564E+00 2.08504E+01 8.36606E+01 P+ 1 5.29733E-01 6.04902E-01 2.20520E+00 6.14868E+00 2.08651E+01 8.37362E+01 ************************************************************************************************** ************************************************************************************************** C [He]2s(2)2p(2) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 6.0 Atomic Mass = 12.0 Nuclear Radius = 6.059938E-05 Speed of Light = 137.0359955 S+ P- P+ Number of Closed Shells 2 0 0 Open Shells 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.06666667 0.0 2.0 0.0 0.0 0.0 0.0 0.0 2 0.53333333 0.0 1.0 1.0 0.0 0.0 0.0 0.0 3 0.40000000 0.0 0.0 2.0 0.0 0.0 0.0 0.0 ENERGIES Total Energy = -3.76760407343220E+01 Mass Energy = -3.76760358042619E+01 Kinetic Energy = 7.53847941883320E+01 Potential Energy = -7.53847991183921E+01 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 SPINOR ENERGIES AND VECTORS 1S+ 2S+ -1.1343600E+01 -7.1260280E-01 ------------ ------------ *** Large-Component *** 1 4.3950024E-09 -9.3943924E-10 2 -2.7693144E-09 5.9196571E-10 3 1.2077328E-08 -2.5817500E-09 4 -7.2928385E-10 1.5612851E-10 5 2.3358730E-08 -4.9940441E-09 6 1.4779051E-08 -3.1582433E-09 7 5.3480631E-08 -1.1435912E-08 8 6.9863901E-08 -1.4931400E-08 9 1.5644085E-07 -3.3456338E-08 10 2.6715709E-07 -5.7100899E-08 11 5.3621810E-07 -1.1468134E-07 12 1.0106142E-06 -2.1602020E-07 13 1.9995082E-06 -4.2763981E-07 14 3.9183876E-06 -8.3763007E-07 15 7.8017687E-06 -1.6685904E-06 16 1.5561562E-05 -3.3269202E-06 17 3.1224319E-05 -6.6783766E-06 18 6.2836765E-05 -1.3436375E-05 19 1.2675314E-04 -2.7116150E-05 20 2.5619801E-04 -5.4807782E-05 21 5.1809929E-04 -1.1091571E-04 22 1.0481981E-03 -2.2453779E-04 23 2.1173768E-03 -4.5432805E-04 24 4.2659119E-03 -9.1755199E-04 25 8.5395419E-03 -1.8454390E-03 26 1.6904220E-02 -3.6817300E-03 27 3.2757598E-02 -7.2344444E-03 28 6.1197892E-02 -1.3834550E-02 29 1.0756006E-01 -2.5298563E-02 30 1.7216436E-01 -4.3339904E-02 31 2.3830516E-01 -6.8097330E-02 32 2.5768841E-01 -9.3990964E-02 33 1.8040416E-01 -9.8031013E-02 34 6.2503984E-02 -3.7806725E-02 35 7.6822316E-03 9.8784146E-02 36 8.3289710E-04 2.5436378E-01 37 3.0037511E-04 3.4666323E-01 38 1.7545759E-04 3.0065521E-01 39 1.8920002E-05 1.3402318E-01 40 2.0169391E-05 1.9294254E-02 41 -8.4651202E-06 5.8495785E-04 42 4.6178493E-06 -1.0403372E-04 43 -1.7364442E-06 4.9069256E-05 44 3.1203027E-07 -1.1372679E-05 *** Small-Component *** 45 2.2722316E-08 -4.8575444E-09 46 5.0390817E-08 -1.0766562E-08 47 5.6643913E-08 -1.2115849E-08 48 1.2925116E-07 -2.7609733E-08 49 1.6795896E-07 -3.5924525E-08 50 2.9211797E-07 -6.2399047E-08 51 4.2735303E-07 -9.1394734E-08 52 6.7684484E-07 -1.4459272E-07 53 1.0252675E-06 -2.1924118E-07 54 1.5844267E-06 -3.3851091E-07 55 2.4198784E-06 -5.1741418E-07 56 3.7164903E-06 -7.9409466E-07 57 5.6866286E-06 -1.2158221E-06 58 8.7192122E-06 -1.8631704E-06 59 1.3346946E-05 -2.8535248E-06 60 2.0453421E-05 -4.3710359E-06 61 3.1310614E-05 -6.6942850E-06 62 4.7963802E-05 -1.0252043E-05 63 7.3406138E-05 -1.5697588E-05 64 1.1237212E-04 -2.4030029E-05 65 1.7181421E-04 -3.6768043E-05 66 2.6252233E-04 -5.6213971E-05 67 4.0011752E-04 -8.5821028E-05 68 6.0782334E-04 -1.3068737E-04 69 9.1694752E-04 -1.9808491E-04 70 1.3673464E-03 -2.9770240E-04 71 1.9954213E-03 -4.4053625E-04 72 2.8066907E-03 -6.3428628E-04 73 3.7133254E-03 -8.7313042E-04 74 4.4735087E-03 -1.1258267E-03 75 4.6600539E-03 -1.3312768E-03 76 3.7920908E-03 -1.3827727E-03 77 1.9977233E-03 -1.0852776E-03 78 5.2081465E-04 -3.1498120E-04 79 4.8165416E-05 6.1914513E-04 80 3.9290170E-06 1.1996469E-03 81 1.0659291E-06 1.2302231E-03 82 4.6879428E-07 8.0282343E-04 83 3.7787494E-08 2.6928099E-04 84 3.0672597E-08 2.9169338E-05 85 -9.7366243E-09 6.6545349E-07 86 3.9866696E-09 -8.9058864E-08 87 -1.1255949E-09 3.1606355E-08 88 1.5459780E-10 -5.5125197E-09 2P- -4.0693060E-01 ------------ *** Large-Component *** 1 4.6360917E-11 2 1.4496877E-10 3 9.9090371E-11 4 3.7518202E-10 5 3.5096872E-10 6 8.0818299E-10 7 1.0020812E-09 8 1.8075707E-09 9 2.5587868E-09 10 4.2001640E-09 11 6.2929536E-09 12 1.0004847E-08 13 1.5441982E-08 14 2.4553235E-08 15 3.9134373E-08 16 6.4392102E-08 17 1.0956950E-07 18 1.9746568E-07 19 3.8139846E-07 20 7.9903490E-07 21 1.8075479E-06 22 4.3645899E-06 23 1.1041378E-05 24 2.8805892E-05 25 7.6407837E-05 26 2.0381705E-04 27 5.4012874E-04 28 1.4009668E-03 29 3.4894452E-03 30 8.2129591E-03 31 1.8247625E-02 32 3.8815444E-02 33 7.7762652E-02 34 1.3727171E-01 35 2.0259914E-01 36 2.4785050E-01 37 2.4623862E-01 38 1.7903597E-01 39 7.5390797E-02 40 1.1884697E-02 41 3.4575013E-04 42 -2.9655697E-05 43 1.7596398E-05 44 -5.0232591E-06 *** Small-Component *** 45 2.5338164E-12 46 2.2983719E-12 47 6.7548406E-12 48 9.6920406E-12 49 1.8005665E-11 50 2.9940341E-11 51 5.1983616E-11 52 9.1453545E-11 53 1.6223604E-10 54 2.9737890E-10 55 5.4857873E-10 56 1.0422791E-09 57 1.9944392E-09 58 3.8988695E-09 59 7.6711504E-09 60 1.5302717E-08 61 3.0677013E-08 62 6.2004285E-08 63 1.2573920E-07 64 2.5617301E-07 65 5.2286814E-07 66 1.0696388E-06 67 2.1888904E-06 68 4.4785942E-06 69 9.1389058E-06 70 1.8538121E-05 71 3.7108990E-05 72 7.2423569E-05 73 1.3543311E-04 74 2.3902000E-04 75 3.9792523E-04 76 6.3400426E-04 77 9.5119354E-04 78 1.2573001E-03 79 1.3894026E-03 80 1.2726021E-03 81 9.4659701E-04 82 5.1526956E-04 83 1.6244130E-04 84 1.9145229E-05 85 4.1901125E-07 86 -5.0303646E-08 87 2.2241287E-08 88 -1.6122752E-08 2P+ -4.0664192E-01 ------------ *** Large-Component *** 1 1.5131397E-12 2 -1.7990775E-12 3 5.3624307E-12 4 -5.7811801E-13 5 1.2832438E-11 6 1.5797799E-11 7 4.9580150E-11 8 1.0716019E-10 9 2.6581842E-10 10 6.3323894E-10 11 1.5530961E-09 12 3.7731316E-09 13 9.3158784E-09 14 2.2850859E-08 15 5.6655660E-08 16 1.3986310E-07 17 3.4749142E-07 18 8.6115716E-07 19 2.1412529E-06 20 5.3150187E-06 21 1.3205829E-05 22 3.2734610E-05 23 8.0955005E-05 24 1.9889422E-04 25 4.8315863E-04 26 1.1491275E-03 27 2.6434117E-03 28 5.8084507E-03 29 1.2147283E-02 30 2.4402491E-02 31 4.7304379E-02 32 8.5631376E-02 33 1.3729447E-01 34 1.8939929E-01 35 2.2427529E-01 36 2.2416573E-01 37 1.7561814E-01 38 9.2089007E-02 39 2.4504182E-02 40 2.0173421E-03 41 4.2654726E-05 42 -9.9656603E-06 43 3.8856420E-06 44 -9.4175340E-07 *** Small-Component *** 45 2.1082365E-11 46 -1.5906553E-11 47 5.1679803E-11 48 8.7131245E-12 49 1.0402082E-10 50 1.1956616E-10 51 3.0418253E-10 52 5.1168663E-10 53 1.0586379E-09 54 1.9486773E-09 55 3.8438421E-09 56 7.2584492E-09 57 1.4101382E-08 58 2.6878528E-08 59 5.1896196E-08 60 9.9312339E-08 61 1.9118447E-07 62 3.6644603E-07 63 7.0416395E-07 64 1.3496522E-06 65 2.5878530E-06 66 4.9480946E-06 67 9.4356516E-06 68 1.7870193E-05 69 3.3456309E-05 70 6.1314523E-05 71 1.0866887E-04 72 1.8394956E-04 73 2.9633224E-04 74 4.5852920E-04 75 6.8461735E-04 76 9.5451032E-04 77 1.1786712E-03 78 1.2522871E-03 79 1.1420621E-03 80 8.7914154E-04 81 5.3044391E-04 82 2.1421898E-04 83 4.3900568E-05 84 2.7834784E-06 85 4.5334498E-08 86 -8.1633806E-09 87 2.4556819E-09 88 -4.6047122E-10 RADIAL MOMENTS Sym Orb

S+ 1 6.54187E+01 5.66979E+00 2.68265E-01 9.70804E-02 4.43715E-02 2.45793E-02 2 3.28200E+00 8.99639E-01 1.58494E+00 3.03478E+00 6.84781E+00 1.79601E+01 P- 1 8.79163E-01 7.75498E-01 1.74204E+00 3.88789E+00 1.06889E+01 3.51181E+01 P+ 1 8.77363E-01 7.74974E-01 1.74297E+00 3.89182E+00 1.07046E+01 3.51853E+01 ************************************************************************************************** ************************************************************************************************** N [He]2s(2)2p(3) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 7.0 Atomic Mass = 14.0 Nuclear Radius = 6.306137E-05 Speed of Light = 137.0359955 S+ P- P+ Number of Closed Shells 2 0 0 Open Shells 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.20000000 0.0 2.0 1.0 0.0 0.0 0.0 0.0 2 0.60000000 0.0 1.0 2.0 0.0 0.0 0.0 0.0 3 0.20000000 0.0 0.0 3.0 0.0 0.0 0.0 0.0 ENERGIES Total Energy = -5.43277218963246E+01 Mass Energy = -5.43277104485186E+01 Kinetic Energy = 1.08718620268857E+02 Potential Energy = -1.08718631716663E+02 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 SPINOR ENERGIES AND VECTORS 1S+ 2S+ -1.5676411E+01 -9.6478825E-01 ------------ ------------ *** Large-Component *** 1 6.5892715E-09 -1.4606975E-09 2 -2.8929986E-09 6.4111274E-10 3 1.7445872E-08 -3.8671075E-09 4 1.7887297E-09 -3.9766381E-10 5 3.4882954E-08 -7.7322494E-09 6 2.6868452E-08 -5.9603236E-09 7 8.2342505E-08 -1.8252626E-08 8 1.1280243E-07 -2.5023196E-08 9 2.4180165E-07 -5.3599104E-08 10 4.1524737E-07 -9.2123568E-08 11 8.2079858E-07 -1.8195094E-07 12 1.5407240E-06 -3.4182521E-07 13 3.0275664E-06 -6.7120326E-07 14 5.9052928E-06 -1.3101555E-06 15 1.1716429E-05 -2.5978237E-06 16 2.3286737E-05 -5.1665734E-06 17 4.6635203E-05 -1.0342104E-05 18 9.3615507E-05 -2.0773421E-05 19 1.8862374E-04 -4.1846914E-05 20 3.8052937E-04 -8.4487189E-05 21 7.6874994E-04 -1.7073652E-04 22 1.5521758E-03 -3.4524832E-04 23 3.1295078E-03 -6.9734244E-04 24 6.2816859E-03 -1.4052204E-03 25 1.2507072E-02 -2.8151982E-03 26 2.4511453E-02 -5.5803947E-03 27 4.6717832E-02 -1.0840529E-02 28 8.4851238E-02 -2.0346843E-02 29 1.4269282E-01 -3.6167038E-02 30 2.1278925E-01 -5.9564914E-02 31 2.6031359E-01 -8.7822185E-02 32 2.2471022E-01 -1.0490256E-01 33 1.0866039E-01 -7.1213661E-02 34 2.1770719E-02 4.3809686E-02 35 2.0143695E-03 2.0312019E-01 36 5.4710416E-04 3.2371151E-01 37 3.3336607E-04 3.3125529E-01 38 4.7561230E-05 1.9984170E-01 39 5.6400839E-05 5.1072459E-02 40 -2.3212338E-05 3.0440249E-03 41 1.5995864E-05 7.8411579E-05 42 -8.6507461E-06 -1.4404792E-05 43 3.5240410E-06 2.4410642E-06 44 -7.8613628E-07 -1.5401752E-07 *** Small-Component *** 45 2.3813702E-08 -5.2766087E-09 46 8.6150191E-08 -1.9104945E-08 47 6.9650174E-08 -1.5419275E-08 48 2.0268704E-07 -4.4964186E-08 49 2.3906641E-07 -5.2936470E-08 50 4.4003994E-07 -9.7624395E-08 51 6.2864505E-07 -1.3923088E-07 52 1.0074827E-06 -2.2348828E-07 53 1.5192325E-06 -3.3653482E-07 54 2.3516110E-06 -5.2158292E-07 55 3.5909996E-06 -7.9557874E-07 56 5.5121847E-06 -1.2224532E-06 57 8.4396022E-06 -1.8700065E-06 58 1.2929006E-05 -2.8670828E-06 59 1.9803999E-05 -4.3886198E-06 60 3.0323028E-05 -6.7242126E-06 61 4.6442390E-05 -1.0293622E-05 62 7.1087690E-05 -1.5765972E-05 63 1.0882428E-04 -2.4129690E-05 64 1.6644471E-04 -3.6934805E-05 65 2.5443649E-04 -5.6478429E-05 66 3.8821127E-04 -8.6302732E-05 67 5.9083569E-04 -1.3158462E-04 68 8.9451286E-04 -1.9999940E-04 69 1.3425108E-03 -3.0203072E-04 70 1.9823507E-03 -4.5109196E-04 71 2.8456765E-03 -6.6001287E-04 72 3.8916103E-03 -9.3278103E-04 73 4.9265944E-03 -1.2481904E-03 74 5.5296880E-03 -1.5472907E-03 75 5.0910849E-03 -1.7169208E-03 76 3.3072429E-03 -1.5433676E-03 77 1.2034157E-03 -7.8845985E-04 78 1.8142476E-04 3.6487146E-04 79 1.2630068E-05 1.2731289E-03 80 2.5807894E-06 1.5267251E-03 81 1.1832695E-06 1.1755531E-03 82 1.2699949E-07 5.3363039E-04 83 1.1333484E-07 1.0261601E-04 84 -3.5085954E-08 4.6020673E-06 85 1.8179116E-08 8.9165005E-08 86 -7.3870808E-09 -1.2303156E-08 87 2.2577185E-09 1.5558546E-09 88 -3.7666727E-10 -6.9069315E-11 2P- -5.0888151E-01 ------------ *** Large-Component *** 1 5.5253284E-11 2 3.1891698E-10 3 1.2381071E-10 4 7.7526253E-10 5 5.9443476E-10 6 1.5989188E-09 7 1.8315190E-09 8 3.4917124E-09 9 4.7880568E-09 10 8.0256163E-09 11 1.1878544E-08 12 1.9026819E-08 13 2.9258534E-08 14 4.6618539E-08 15 7.4286349E-08 16 1.2225672E-07 17 2.0821345E-07 18 3.7509338E-07 19 7.2492318E-07 20 1.5174237E-06 21 3.4316418E-06 22 8.2755897E-06 23 2.0910983E-05 24 5.4442692E-05 25 1.4396972E-04 26 3.8189606E-04 27 1.0020665E-03 28 2.5569222E-03 29 6.2301419E-03 30 1.4352928E-02 31 3.1394991E-02 32 6.4629867E-02 33 1.1853884E-01 34 1.8260249E-01 35 2.3261887E-01 36 2.4558526E-01 37 2.0525960E-01 38 1.1693211E-01 39 3.3734682E-02 40 2.7656277E-03 41 7.5368449E-05 42 -2.8216107E-05 43 1.0695587E-05 44 -2.1197101E-06 *** Small-Component *** 45 4.7497753E-12 46 5.4157871E-12 47 1.4162097E-11 48 2.0232465E-11 49 3.9298597E-11 50 6.1005491E-11 51 1.1148472E-10 52 1.8452084E-10 53 3.3734323E-10 54 5.9282896E-10 55 1.1075045E-09 56 2.0492550E-09 57 3.9346004E-09 58 7.5705028E-09 59 1.4891113E-08 60 2.9432941E-08 61 5.8933729E-08 62 1.1849023E-07 63 2.3999051E-07 64 4.8748325E-07 65 9.9382515E-07 66 2.0291631E-06 67 4.1466207E-06 68 8.4656109E-06 69 1.7221266E-05 70 3.4737416E-05 71 6.8849267E-05 72 1.3218567E-04 73 2.4180869E-04 74 4.1770683E-04 75 6.8461788E-04 76 1.0556436E-03 77 1.4499602E-03 78 1.6724751E-03 79 1.5952448E-03 80 1.2609359E-03 81 7.8903341E-04 82 3.3649923E-04 83 7.2667972E-05 84 4.4225548E-06 85 9.2945579E-08 86 -5.7374311E-08 87 2.1258739E-08 88 -1.9482025E-08 2P+ -5.0818386E-01 ------------ *** Large-Component *** 1 3.1949368E-12 2 -3.8586436E-12 3 1.1190168E-11 4 -1.7139205E-12 5 2.6440313E-11 6 2.9878303E-11 7 9.8619115E-11 8 2.0713560E-10 9 5.1458458E-10 10 1.2220435E-09 11 2.9714838E-09 12 7.2371420E-09 13 1.7733535E-08 14 4.3596803E-08 15 1.0756412E-07 16 2.6586271E-07 17 6.5862036E-07 18 1.6328893E-06 19 4.0526880E-06 20 1.0056999E-05 21 2.4945285E-05 22 6.1743975E-05 23 1.5219921E-04 24 3.7202599E-04 25 8.9543673E-04 26 2.0994641E-03 27 4.7367533E-03 28 1.0200666E-02 29 2.1009202E-02 30 4.1467805E-02 31 7.6460070E-02 32 1.2533181E-01 33 1.7667283E-01 34 2.1350595E-01 35 2.2131733E-01 36 1.8952893E-01 37 1.2051529E-01 38 4.6466174E-02 39 7.6299161E-03 40 3.0306463E-04 41 -1.0481268E-05 42 8.4259532E-06 43 -3.9271393E-06 44 9.2274924E-07 *** Small-Component *** 45 3.9582229E-11 46 -2.8841689E-11 47 9.4944896E-11 48 2.1586841E-11 49 1.8897729E-10 50 2.3775651E-10 51 5.5970940E-10 52 9.9023692E-10 53 1.9737879E-09 54 3.7273842E-09 55 7.2199570E-09 56 1.3805680E-08 57 2.6584121E-08 58 5.0980258E-08 59 9.8002653E-08 60 1.8808638E-07 61 3.6127992E-07 62 6.9333137E-07 63 1.3305426E-06 64 2.5506957E-06 65 4.8840273E-06 66 9.3272107E-06 67 1.7731758E-05 68 3.3415995E-05 69 6.1993140E-05 70 1.1200978E-04 71 1.9471312E-04 72 3.2303892E-04 73 5.1251306E-04 74 7.7919206E-04 75 1.1065861E-03 76 1.3970545E-03 77 1.5167450E-03 78 1.4116849E-03 79 1.1270040E-03 80 7.4330425E-04 81 3.6401025E-04 82 1.0809072E-04 83 1.3669444E-05 84 4.1815974E-07 85 -1.1131020E-08 86 6.8876216E-09 87 -2.4696408E-09 88 4.4593724E-10 RADIAL MOMENTS Sym Orb

S+ 1 9.01947E+01 6.66211E+00 2.28076E-01 7.01371E-02 2.72415E-02 1.28312E-02 2 4.82085E+00 1.08452E+00 1.32527E+00 2.12619E+00 4.02712E+00 8.88457E+00 P- 1 1.30794E+00 9.42879E-01 1.44580E+00 2.70442E+00 6.28958E+00 1.76218E+01 P+ 1 1.30377E+00 9.41843E-01 1.44712E+00 2.70917E+00 6.30586E+00 1.76819E+01 ************************************************************************************************** ************************************************************************************************** O [He]2s(2)2p(4) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 8.0 Atomic Mass = 16.0 Nuclear Radius = 6.529873E-05 Speed of Light = 137.0359955 S+ P- P+ Number of Closed Shells 2 0 0 Open Shells 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.40000000 0.0 2.0 2.0 0.0 0.0 0.0 0.0 2 0.53333333 0.0 1.0 3.0 0.0 0.0 0.0 0.0 3 0.06666667 0.0 0.0 4.0 0.0 0.0 0.0 0.0 ENERGIES Total Energy = -7.48249860962366E+01 Mass Energy = -7.48249569833408E+01 Kinetic Energy = 1.49761695683884E+02 Potential Energy = -1.49761724796779E+02 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 SPINOR ENERGIES AND VECTORS 1S+ 2S+ -2.0698555E+01 -1.2524122E+00 ------------ ------------ *** Large-Component *** 1 9.2163631E-09 -2.0963062E-09 2 -2.0757106E-09 4.7205908E-10 3 2.3455524E-08 -5.3352969E-09 4 7.0521368E-09 -1.6041846E-09 5 4.8835250E-08 -1.1110390E-08 6 4.5344414E-08 -1.0314191E-08 7 1.1941967E-07 -2.7173222E-08 8 1.7224054E-07 -3.9186111E-08 9 3.5303454E-07 -8.0331950E-08 10 6.1157564E-07 -1.3917021E-07 11 1.1889647E-06 -2.7055117E-07 12 2.2269340E-06 -5.0682903E-07 13 4.3420131E-06 -9.8810521E-07 14 8.4392127E-06 -1.9208488E-06 15 1.6671989E-05 -3.7944116E-06 16 3.3044466E-05 -7.5220810E-06 17 6.6006263E-05 -1.5025345E-05 18 1.3224748E-04 -3.0112208E-05 19 2.6600844E-04 -6.0581868E-05 20 5.3585300E-04 -1.2210933E-04 21 1.0808786E-03 -2.4651373E-04 22 2.1784952E-03 -4.9766284E-04 23 4.3813385E-03 -1.0036242E-03 24 8.7604173E-03 -2.0166824E-03 25 1.7329601E-02 -4.0235107E-03 26 3.3587541E-02 -7.9155003E-03 27 6.2819859E-02 -1.5187029E-02 28 1.1063531E-01 -2.7934665E-02 29 1.7715089E-01 -4.8218842E-02 30 2.4327059E-01 -7.5948130E-02 31 2.5634290E-01 -1.0258375E-01 32 1.7127988E-01 -9.8088764E-02 33 5.5963383E-02 -1.9267293E-02 34 6.9588989E-03 1.3037090E-01 35 1.1122968E-03 2.7820180E-01 36 4.6257535E-04 3.4261571E-01 37 2.1446250E-04 2.7205232E-01 38 4.7055793E-05 1.1334281E-01 39 1.5924993E-05 1.6107990E-02 40 -3.4899402E-06 6.1665366E-04 41 2.4044311E-06 -1.1354726E-04 42 -1.2710267E-06 6.9925048E-05 43 5.1777305E-07 -2.9939002E-05 44 -1.1295267E-07 6.7720245E-06 *** Small-Component *** 45 2.1828688E-08 -4.9639078E-09 46 1.3349387E-07 -3.0363224E-08 47 8.2154982E-08 -1.8678389E-08 48 2.9673358E-07 -6.7497599E-08 49 3.2517643E-07 -7.3937485E-08 50 6.2640235E-07 -1.4248923E-07 51 8.7803074E-07 -1.9965498E-07 52 1.4217202E-06 -3.2339411E-07 53 2.1340576E-06 -4.8528325E-07 54 3.3109939E-06 -7.5311993E-07 55 5.0501815E-06 -1.1484505E-06 56 7.7557018E-06 -1.7640848E-06 57 1.1870217E-05 -2.6994901E-06 58 1.8185023E-05 -4.1363319E-06 59 2.7849210E-05 -6.3338177E-06 60 4.2637057E-05 -9.6988190E-06 61 6.5288986E-05 -1.4851293E-05 62 9.9914520E-05 -2.2733594E-05 63 1.5290347E-04 -3.4797357E-05 64 2.3375652E-04 -5.3229131E-05 65 3.5706817E-04 -8.1376634E-05 66 5.4415176E-04 -1.2421848E-04 67 8.2647039E-04 -1.8918417E-04 68 1.2468314E-03 -2.8682745E-04 69 1.8596342E-03 -4.3147358E-04 70 2.7160629E-03 -6.3967942E-04 71 3.8264730E-03 -9.2451082E-04 72 5.0745069E-03 -1.2805525E-03 73 6.1169597E-03 -1.6640889E-03 74 6.3226905E-03 -1.9728938E-03 75 5.0142236E-03 -2.0055901E-03 76 2.5212560E-03 -1.4432260E-03 77 6.1988071E-04 -2.1343730E-04 78 5.7997669E-05 1.0859403E-03 79 6.9738147E-06 1.7437584E-03 80 2.1823593E-06 1.6158986E-03 81 7.6113662E-07 9.6546235E-04 82 1.2571105E-07 3.0265784E-04 83 3.1993933E-08 3.2364622E-05 84 -5.2929297E-09 9.3242506E-07 85 2.7607196E-09 -1.2928628E-07 86 -1.1075729E-09 5.9927481E-08 87 3.4526045E-10 -1.9319983E-08 88 -5.9144314E-11 3.2934497E-09 2P- -6.1681360E-01 ------------ *** Large-Component *** 1 4.8756508E-11 2 6.0199438E-10 3 1.3010970E-10 4 1.4055553E-09 5 9.3103504E-10 6 2.8162388E-09 7 3.0569402E-09 8 6.0512555E-09 9 8.1308553E-09 10 1.3809749E-08 11 2.0281014E-08 12 3.2665460E-08 13 5.0052591E-08 14 7.9981482E-08 15 1.2725838E-07 16 2.0975215E-07 17 3.5710285E-07 18 6.4364023E-07 19 1.2438669E-06 20 2.6022891E-06 21 5.8821074E-06 22 1.4166210E-05 23 3.5750565E-05 24 9.2858695E-05 25 2.4472178E-04 26 6.4503532E-04 27 1.6745513E-03 28 4.2038017E-03 29 1.0046989E-02 30 2.2740664E-02 31 4.8562375E-02 32 9.4165460E-02 33 1.5569478E-01 34 2.1258393E-01 35 2.4099633E-01 36 2.2547841E-01 37 1.6125701E-01 38 7.2647049E-02 39 1.4291770E-02 40 6.1441422E-04 41 -1.5722586E-07 42 5.3818123E-06 43 -2.9677028E-06 44 5.6226768E-07 *** Small-Component *** 45 7.8329908E-12 46 1.1518466E-11 47 2.5420233E-11 48 3.9681770E-11 49 7.3281487E-11 50 1.1550631E-10 51 2.0803352E-10 52 3.4129694E-10 53 6.2070225E-10 54 1.0741279E-09 55 2.0002899E-09 56 3.6478708E-09 57 6.9812602E-09 58 1.3288532E-08 59 2.6061682E-08 60 5.1143806E-08 61 1.0216768E-07 62 2.0451137E-07 63 4.1350403E-07 64 8.3766276E-07 65 1.7054596E-06 66 3.4753151E-06 67 7.0911809E-06 68 1.4441148E-05 69 2.9275461E-05 70 5.8676434E-05 71 1.1505913E-04 72 2.1733063E-04 73 3.8995216E-04 74 6.6180286E-04 75 1.0589681E-03 76 1.5380588E-03 77 1.9044271E-03 78 1.9470375E-03 79 1.6526472E-03 80 1.1576492E-03 81 6.1984277E-04 82 2.0901441E-04 83 3.0761712E-05 84 9.4070722E-07 85 2.1763246E-09 86 -3.5989425E-08 87 1.5953307E-08 88 -2.3349985E-08 2P+ -6.1537296E-01 ------------ *** Large-Component *** 1 6.0467404E-12 2 -7.4363785E-12 3 2.1064902E-11 4 -4.3670619E-12 5 4.9648000E-11 6 4.9567749E-11 7 1.7916331E-10 8 3.5730727E-10 9 9.0535314E-10 10 2.1181882E-09 11 5.1486165E-09 12 1.2503674E-08 13 3.0519453E-08 14 7.5015972E-08 15 1.8448871E-07 16 4.5602572E-07 17 1.1273065E-06 18 2.7944516E-06 19 6.9251720E-06 20 1.7174858E-05 21 4.2529768E-05 22 1.0507406E-04 23 2.5807329E-04 24 6.2713826E-04 25 1.4946066E-03 26 3.4545026E-03 27 7.6598386E-03 28 1.6228464E-02 29 3.2858073E-02 30 6.2537549E-02 31 1.0706670E-01 32 1.5837194E-01 33 2.0025815E-01 34 2.1805146E-01 35 2.0255025E-01 36 1.5101104E-01 37 7.8667219E-02 38 2.2337482E-02 39 2.2264989E-03 40 5.4149763E-05 41 -1.0698745E-05 42 5.7556661E-06 43 -2.3162222E-06 44 5.2325265E-07 *** Small-Component *** 45 6.7269714E-11 46 -4.7795792E-11 47 1.5885924E-10 48 4.2924645E-11 49 3.1365591E-10 50 4.1966949E-10 51 9.3797602E-10 52 1.7170651E-09 53 3.3389656E-09 54 6.4131082E-09 55 1.2275484E-08 56 2.3663778E-08 57 4.5307143E-08 58 8.7218354E-08 59 1.6719985E-07 60 3.2144730E-07 61 6.1655861E-07 62 1.1839959E-06 63 2.2699431E-06 64 4.3508080E-06 65 8.3198121E-06 66 1.5863249E-05 67 3.0054274E-05 68 5.6315651E-05 69 1.0345827E-04 70 1.8428614E-04 71 3.1485757E-04 72 5.1392069E-04 73 8.0156237E-04 74 1.1751113E-03 75 1.5495680E-03 76 1.7653650E-03 77 1.7192372E-03 78 1.4417461E-03 79 1.0314412E-03 80 5.9224486E-04 81 2.3761108E-04 82 5.1962139E-05 83 3.9889159E-06 84 7.4716948E-08 85 -1.1371593E-08 86 4.7129496E-09 87 -1.4612902E-09 88 2.5432932E-10 RADIAL MOMENTS Sym Orb

S+ 1 1.18974E+02 7.65478E+00 1.98370E-01 5.30418E-02 1.79150E-02 7.34174E-03 2 6.64937E+00 1.26882E+00 1.13949E+00 1.57439E+00 2.57170E+00 4.90118E+00 P- 1 1.81748E+00 1.10883E+00 1.23791E+00 1.99791E+00 4.03887E+00 9.90032E+00 P+ 1 1.80912E+00 1.10701E+00 1.23965E+00 2.00343E+00 4.05547E+00 9.95438E+00 ************************************************************************************************** ************************************************************************************************** F [He]2s(2)2p(5) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 9.0 Atomic Mass = 19.0 Nuclear Radius = 6.832864E-05 Speed of Light = 137.0359955 S+ P- P+ Number of Closed Shells 2 0 0 Open Shells 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.66666667 0.0 2.0 3.0 0.0 0.0 0.0 0.0 2 0.33333333 0.0 1.0 4.0 0.0 0.0 0.0 0.0 ENERGIES Total Energy = -9.95016152831752E+01 Mass Energy = -9.95015703287346E+01 Kinetic Energy = 1.99188110288615E+02 Potential Energy = -1.99188155243055E+02 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 SPINOR ENERGIES AND VECTORS 1S+ 2S+ -2.6411746E+01 -1.5759827E+00 ------------ ------------ *** Large-Component *** 1 1.1400953E-08 -2.6434802E-09 2 1.8278264E-09 -4.2391559E-10 3 2.7253172E-08 -6.3199115E-09 4 1.9115286E-08 -4.4321788E-09 5 6.1780528E-08 -1.4329747E-08 6 7.5395697E-08 -1.7482688E-08 7 1.6211710E-07 -3.7610849E-08 8 2.5500909E-07 -5.9136986E-08 9 4.9028615E-07 -1.1376871E-07 10 8.6731631E-07 -2.0115579E-07 11 1.6483753E-06 -3.8255420E-07 12 3.0933181E-06 -7.1753110E-07 13 5.9727124E-06 -1.3862769E-06 14 1.1584980E-05 -2.6876828E-06 15 2.2769849E-05 -5.2854102E-06 16 4.5036675E-05 -1.0450489E-05 17 8.9685733E-05 -2.0822157E-05 18 1.7941865E-04 -4.1649749E-05 19 3.6013988E-04 -8.3660953E-05 20 7.2458252E-04 -1.6838420E-04 21 1.4588049E-03 -3.3949198E-04 22 2.9351892E-03 -6.8431129E-04 23 5.8856211E-03 -1.3774102E-03 24 1.1719506E-02 -2.7595509E-03 25 2.3011040E-02 -5.4793647E-03 26 4.4056724E-02 -1.0691261E-02 27 8.0695318E-02 -2.0235809E-02 28 1.3744274E-01 -3.6440452E-02 29 2.0831558E-01 -6.0950818E-02 30 2.5985996E-01 -9.0951228E-02 31 2.3069188E-01 -1.0888437E-01 32 1.1705622E-01 -7.3292750E-02 33 2.5731847E-02 4.5305818E-02 34 2.7398676E-03 2.0576483E-01 35 7.8843906E-04 3.2168497E-01 36 4.2562657E-04 3.2477344E-01 37 9.3398972E-05 2.0058394E-01 38 6.6607713E-05 5.6890009E-02 39 -2.0599401E-05 4.5197640E-03 40 1.7289586E-05 1.5397107E-04 41 -1.0817904E-05 -3.5791413E-05 42 5.8369129E-06 1.4771705E-05 43 -2.3625156E-06 -4.7579664E-06 44 5.2262473E-07 8.8044219E-07 *** Small-Component *** 45 1.0208592E-08 -2.3698285E-09 46 1.9805027E-07 -4.5903862E-08 47 8.7375252E-08 -2.0286266E-08 48 4.1688254E-07 -9.6598616E-08 49 4.2288004E-07 -9.8123929E-08 50 8.5660898E-07 -1.9847621E-07 51 1.1764159E-06 -2.7291627E-07 52 1.9277023E-06 -4.4668158E-07 53 2.8772900E-06 -6.6741326E-07 54 4.4790854E-06 -1.0379889E-06 55 6.8182823E-06 -1.5814104E-06 56 1.0483865E-05 -2.4297904E-06 57 1.6029017E-05 -3.7174958E-06 58 2.4571175E-05 -5.6953561E-06 59 3.7601130E-05 -8.7205581E-06 60 5.7587141E-05 -1.3350390E-05 61 8.8124497E-05 -2.0440999E-05 62 1.3487871E-04 -3.1280894E-05 63 2.0626509E-04 -4.7870928E-05 64 3.1526578E-04 -7.3195028E-05 65 4.8104266E-04 -1.1184388E-04 66 7.3226178E-04 -1.7056253E-04 67 1.1093555E-03 -2.5938806E-04 68 1.6672137E-03 -3.9222764E-04 69 2.4687418E-03 -5.8735617E-04 70 3.5624169E-03 -8.6379388E-04 71 4.9154850E-03 -1.2317077E-03 72 6.3047276E-03 -1.6703879E-03 73 7.1941092E-03 -2.1034812E-03 74 6.7550344E-03 -2.3627038E-03 75 4.5132943E-03 -2.1289102E-03 76 1.7233680E-03 -1.0785343E-03 77 2.8506055E-04 5.0140316E-04 78 2.2836059E-05 1.7140053E-03 79 4.9434232E-06 2.0163355E-03 80 2.0082030E-06 1.5317624E-03 81 3.3137365E-07 7.1184096E-04 82 1.7799779E-07 1.5191377E-04 83 -4.1465438E-08 9.0813547E-06 84 2.6185817E-08 2.3276847E-07 85 -1.2331731E-08 -4.0703494E-08 86 5.0081607E-09 1.2633462E-08 87 -1.5256785E-09 -3.0572036E-09 88 2.5394754E-10 4.2394191E-10 2P- -7.3133126E-01 ------------ *** Large-Component *** 1 -9.3664794E-12 2 1.0480837E-09 3 7.3936423E-11 4 2.3544002E-09 5 1.3488965E-09 6 4.5986435E-09 7 4.7490965E-09 8 9.7392152E-09 9 1.2849574E-08 10 2.2081070E-08 11 3.2226705E-08 12 5.2103097E-08 13 7.9689066E-08 14 1.2751853E-07 15 2.0280653E-07 16 3.3452505E-07 17 5.6958646E-07 18 1.0268334E-06 19 1.9844745E-06 20 4.1492053E-06 21 9.3732645E-06 22 2.2543618E-05 23 5.6809966E-05 24 1.4718431E-04 25 3.8639131E-04 26 1.0114145E-03 27 2.5965070E-03 28 6.4171690E-03 29 1.5076914E-02 30 3.3489744E-02 31 6.8861882E-02 32 1.2385619E-01 33 1.8530048E-01 34 2.2875989E-01 35 2.3575044E-01 36 1.9828872E-01 37 1.2215103E-01 38 4.3520577E-02 39 5.7364433E-03 40 1.5929848E-04 41 -2.8410708E-05 42 1.8498552E-05 43 -8.9457386E-06 44 2.5033735E-06 *** Small-Component *** 45 1.0822327E-11 46 2.2817601E-11 47 4.0658374E-11 48 7.2470123E-11 49 1.2427025E-10 50 2.0334587E-10 51 3.5582926E-10 52 5.8690244E-10 53 1.0524360E-09 54 1.8101480E-09 55 3.3423243E-09 56 6.0389953E-09 57 1.1491701E-08 58 2.1691180E-08 59 4.2368807E-08 60 8.2642480E-08 61 1.6461763E-07 62 3.2822035E-07 63 6.6232743E-07 64 1.3382752E-06 65 2.7207408E-06 66 5.5332779E-06 67 1.1271390E-05 68 2.2892837E-05 69 4.6227187E-05 70 9.2010315E-05 71 1.7841475E-04 72 3.3176512E-04 73 5.8517559E-04 74 9.7461297E-04 75 1.5016146E-03 76 2.0229937E-03 77 2.2665117E-03 78 2.0951270E-03 79 1.6166068E-03 80 1.0179881E-03 81 4.6947434E-04 82 1.2515878E-04 83 1.2316857E-05 84 1.9435660E-07 85 -3.1347586E-08 86 -3.3896624E-08 87 1.6199274E-08 88 -2.7999474E-08 2P+ -7.2866280E-01 ------------ *** Large-Component *** 1 1.0421590E-11 2 -1.2922977E-11 3 3.6177791E-11 4 -8.2944180E-12 5 8.3844437E-11 6 8.0202375E-11 7 2.9594840E-10 8 5.7962332E-10 9 1.4736546E-09 10 3.4137109E-09 11 8.3027517E-09 12 2.0042001E-08 13 4.8916202E-08 14 1.1979432E-07 15 2.9452365E-07 16 7.2640313E-07 17 1.7949271E-06 18 4.4429407E-06 19 1.1003560E-05 20 2.7252674E-05 21 6.7395833E-05 22 1.6610208E-04 23 4.0642022E-04 24 9.8115188E-04 25 2.3146175E-03 26 5.2759838E-03 27 1.1520456E-02 28 2.4027568E-02 29 4.7430900E-02 30 8.5645429E-02 31 1.3519110E-01 32 1.8231831E-01 33 2.1092103E-01 34 2.1081134E-01 35 1.7770314E-01 36 1.1610852E-01 37 4.9618600E-02 38 1.0297648E-02 39 6.1794748E-04 40 4.6090273E-06 41 1.8423749E-06 42 -1.7393176E-06 43 9.0132138E-07 44 -2.3065453E-07 *** Small-Component *** 45 1.0697721E-10 46 -7.6651267E-11 47 2.5446405E-10 48 6.4193822E-11 49 5.0495917E-10 50 6.5690227E-10 51 1.5041871E-09 52 2.7083063E-09 53 5.3304638E-09 54 1.0150692E-08 55 1.9545578E-08 56 3.7517383E-08 57 7.2038621E-08 58 1.3837943E-07 59 2.6563363E-07 60 5.1010678E-07 61 9.7893487E-07 62 1.8784504E-06 63 3.6010972E-06 64 6.8958435E-06 65 1.3173396E-05 66 2.5062518E-05 67 4.7312238E-05 68 8.8084052E-05 69 1.6019732E-04 70 2.8143449E-04 71 4.7353243E-04 72 7.6089636E-04 73 1.1570733E-03 74 1.6093461E-03 75 1.9566369E-03 76 2.0323120E-03 77 1.8107895E-03 78 1.3938807E-03 79 9.0491637E-04 80 4.5536346E-04 81 1.4987143E-04 82 2.3954784E-05 83 1.1070948E-06 84 6.3608428E-09 85 1.9568451E-09 86 -1.4230199E-09 87 5.6802429E-10 88 -1.1200218E-10 RADIAL MOMENTS Sym Orb

S+ 1 1.51786E+02 8.64823E+00 1.75509E-01 4.15138E-02 1.24049E-02 4.49972E-03 2 8.77090E+00 1.45293E+00 9.99682E-01 1.21330E+00 1.74291E+00 2.92507E+00 P- 1 2.40859E+00 1.27407E+00 1.08325E+00 1.53942E+00 2.75693E+00 6.01923E+00 P+ 1 2.39348E+00 1.27115E+00 1.08545E+00 1.54563E+00 2.77365E+00 6.06811E+00 ************************************************************************************************** ************************************************************************************************** Ne [He]2s(2)2p(6) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 10.0 Atomic Mass = 20.0 Nuclear Radius = 6.926715E-05 Speed of Light = 137.0359955 S+ P- P+ Number of Closed Shells 2 1 1 Open Shells 0 0 0 ENERGIES Total Energy = -1.28691930537442E+02 Mass Energy = -1.28691852747803E+02 Kinetic Energy = 2.57674206284758E+02 Potential Energy = -2.57674284074397E+02 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 SPINOR ENERGIES AND VECTORS 1S+ 2S+ -3.2817454E+01 -1.9358448E+00 ------------ ------------ *** Large-Component *** 1 1.5483415E-08 -3.6443951E-09 2 4.4755292E-09 -1.0536152E-09 3 3.6052534E-08 -8.4869796E-09 4 3.0334220E-08 -7.1401358E-09 5 8.3540113E-08 -1.9671228E-08 6 1.0896975E-07 -2.5650635E-08 7 2.2175987E-07 -5.2230726E-08 8 3.5474406E-07 -8.3519251E-08 9 6.6760525E-07 -1.5726540E-07 10 1.1808452E-06 -2.7807652E-07 11 2.2208835E-06 -5.2323695E-07 12 4.1510323E-06 -9.7771855E-07 13 7.9654330E-06 -1.8768904E-06 14 1.5391771E-05 -3.6259745E-06 15 3.0132806E-05 -7.1012207E-06 16 5.9436404E-05 -1.4005200E-05 17 1.1805767E-04 -2.7829593E-05 18 2.3573092E-04 -5.5572835E-05 19 4.7231347E-04 -1.1142113E-04 20 9.4881510E-04 -2.2397877E-04 21 1.9068724E-03 -4.5086591E-04 22 3.8288603E-03 -9.0750227E-04 23 7.6539848E-03 -1.8225368E-03 24 1.5168316E-02 -3.6400447E-03 25 2.9542580E-02 -7.1885892E-03 26 5.5798776E-02 -1.3902875E-02 27 9.9919185E-02 -2.5931749E-02 28 1.6408131E-01 -4.5670751E-02 29 2.3382464E-01 -7.3755433E-02 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28 3.3591019E-02 29 6.4014290E-02 30 1.0870576E-01 31 1.5866382E-01 32 1.9762356E-01 33 2.1238398E-01 34 1.9713161E-01 35 1.5177241E-01 36 8.7070568E-02 37 3.0438810E-02 38 4.5583410E-03 39 1.7226787E-04 40 -9.9742138E-06 41 8.1364337E-06 42 -4.8874022E-06 43 2.1466797E-06 44 -5.2279355E-07 *** Small-Component *** 45 1.6115065E-10 46 -1.1640108E-10 47 3.8552303E-10 48 9.1424341E-11 49 7.6764802E-10 50 9.7589011E-10 51 2.2789615E-09 52 4.0491887E-09 53 8.0466228E-09 54 1.5218770E-08 55 2.9442287E-08 56 5.6321589E-08 57 1.0838878E-07 58 2.0784601E-07 59 3.9939026E-07 60 7.6624474E-07 61 1.4710003E-06 62 2.8207295E-06 63 5.4064552E-06 64 1.0343058E-05 65 1.9735423E-05 66 3.7456253E-05 67 7.0425846E-05 68 1.3021752E-04 69 2.3441402E-04 70 4.0645747E-04 71 6.7423354E-04 72 1.0637528E-03 73 1.5616516E-03 74 2.0427056E-03 75 2.2963895E-03 76 2.2029375E-03 77 1.8233586E-03 78 1.3034360E-03 79 7.7287241E-04 80 3.4148139E-04 81 9.1939775E-05 82 1.0603837E-05 83 3.0861765E-07 84 -1.3752390E-08 85 8.6411745E-09 86 -4.0003873E-09 87 1.3560896E-09 88 -2.5557987E-10 RADIAL MOMENTS Sym Orb

S+ 1 1.88661E+02 9.64275E+00 1.57365E-01 3.33714E-02 8.94142E-03 2.90940E-03 2 1.11889E+01 1.63708E+00 8.90526E-01 9.63811E-01 1.23578E+00 1.85321E+00 P- 1 3.08217E+00 1.43901E+00 9.63353E-01 1.22380E+00 1.96925E+00 3.88071E+00 P+ 1 3.05680E+00 1.43460E+00 9.66041E-01 1.23066E+00 1.98597E+00 3.92512E+00 **************************************************************************************************