**************************************************************************************************** Li [He]2s(1) TW-Mod set27 (62s62p36d36f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 3.0 Atomic Mass = 7.0 Nuclear Radius = 5.292062E-05 Speed of Light = 137.0359955 S+ Number of Closed Shells 1 Open Shells 1 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 = -7.43353313511225E+00 Mass Energy = -7.43353280143716E+00 Kinetic Energy = 1.48686786598458E+01 Potential Energy = -1.48686789935209E+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 1.6540330E+08 1.0000000E+00 1.0000000E+00 3 1.1076215E+08 1.0000000E+00 1.0000000E+00 4 7.4171765E+07 1.0000000E+00 1.0000000E+00 5 4.9669047E+07 1.0000000E+00 1.0000000E+00 6 3.3260827E+07 1.0000000E+00 1.0000000E+00 7 2.2273080E+07 1.0000000E+00 1.0000000E+00 8 1.4915145E+07 1.0000000E+00 1.0000000E+00 9 9.9879120E+06 1.0000000E+00 1.0000000E+00 10 6.6883952E+06 1.0000000E+00 1.0000000E+00 11 4.4788771E+06 1.0000000E+00 1.0000000E+00 12 2.9992755E+06 1.0000000E+00 1.0000000E+00 13 2.0084618E+06 1.0000000E+00 1.0000000E+00 14 1.3449644E+06 1.0000000E+00 1.0000000E+00 15 9.0065408E+05 1.0000000E+00 1.0000000E+00 16 6.0312210E+05 1.0000000E+00 1.0000000E+00 17 4.0388011E+05 1.0000000E+00 1.0000000E+00 18 2.7045791E+05 1.0000000E+00 1.0000000E+00 19 1.8111186E+05 1.0000000E+00 1.0000000E+00 20 1.2128138E+05 1.0000000E+00 1.0000000E+00 21 8.1215952E+04 1.0000000E+00 1.0000000E+00 22 5.4386180E+04 1.0000000E+00 1.0000000E+00 23 3.6419651E+04 1.0000000E+00 1.0000000E+00 24 2.4388382E+04 1.0000000E+00 1.0000000E+00 25 1.6331656E+04 1.0000000E+00 1.0000000E+00 26 1.0936477E+04 1.0000000E+00 1.0000000E+00 27 7.3236006E+03 1.0000000E+00 1.0000000E+00 28 4.9042418E+03 1.0000000E+00 1.0000000E+00 29 3.2841206E+03 1.0000000E+00 1.0000000E+00 30 2.1992080E+03 1.0000000E+00 1.0000000E+00 31 1.4726974E+03 1.0000000E+00 1.0000000E+00 32 9.8619035E+02 1.0000000E+00 1.0000000E+00 33 6.6040137E+02 1.0000000E+00 1.0000000E+00 34 4.4223711E+02 1.0000000E+00 1.0000000E+00 35 2.9614364E+02 1.0000000E+00 1.0000000E+00 36 1.9831229E+02 1.0000000E+00 1.0000000E+00 37 1.3279962E+02 1.0000000E+00 1.0000000E+00 38 8.8929134E+01 1.0000000E+00 1.0000000E+00 39 5.9551305E+01 1.0000000E+00 1.0000000E+00 40 3.9878471E+01 1.0000000E+00 1.0000000E+00 41 2.6704578E+01 1.0000000E+00 1.0000000E+00 42 1.7882694E+01 1.0000000E+00 1.0000000E+00 43 1.1975128E+01 1.0000000E+00 1.0000000E+00 44 8.0191323E+00 1.0000000E+00 1.0000000E+00 45 5.3700039E+00 1.0000000E+00 1.0000000E+00 46 3.5960177E+00 1.0000000E+00 1.0000000E+00 47 2.4080696E+00 1.0000000E+00 1.0000000E+00 48 1.6125614E+00 1.0000000E+00 1.0000000E+00 49 1.0798501E+00 1.0000000E+00 1.0000000E+00 50 7.2312054E-01 1.0000000E+00 1.0000000E+00 51 4.8423694E-01 1.0000000E+00 1.0000000E+00 52 3.2426878E-01 1.0000000E+00 1.0000000E+00 53 2.1714626E-01 1.0000000E+00 1.0000000E+00 54 1.4541177E-01 1.0000000E+00 1.0000000E+00 55 9.7374848E-02 1.0000000E+00 1.0000000E+00 56 6.5206969E-02 1.0000000E+00 1.0000000E+00 57 4.3665781E-02 1.0000000E+00 1.0000000E+00 58 2.9240746E-02 1.0000000E+00 1.0000000E+00 59 1.9581036E-02 1.0000000E+00 1.0000000E+00 60 1.3112421E-02 1.0000000E+00 1.0000000E+00 61 8.7807196E-03 1.0000000E+00 1.0000000E+00 62 5.8800000E-03 1.0000000E+00 1.0000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ -2.4779781E+00 -1.9633891E-01 ------------ ------------ *** Large-Component *** 1 1.1143921E-09 -1.7438870E-10 2 -2.9969888E-09 4.7035573E-10 3 6.4586492E-09 -1.0158934E-09 4 -9.0976580E-09 1.4352812E-09 5 1.2964073E-08 -2.0446808E-09 6 -1.3818424E-08 2.1743477E-09 7 1.7667770E-08 -2.7583588E-09 8 -1.5379520E-08 2.3705715E-09 9 2.1280922E-08 -3.2530548E-09 10 -1.3492489E-08 1.9858327E-09 11 2.6439341E-08 -3.9436796E-09 12 -6.2380648E-09 7.1420236E-10 13 3.8285384E-08 -5.6457898E-09 14 1.3215895E-08 -2.5108037E-09 15 6.9073238E-08 -1.0161738E-08 16 6.4231354E-08 -1.0941659E-08 17 1.5096464E-07 -2.2358774E-08 18 1.9927551E-07 -3.2691652E-08 19 3.7046994E-07 -5.6074246E-08 20 5.6027744E-07 -8.9543228E-08 21 9.6137107E-07 -1.4810351E-07 22 1.5319963E-06 -2.4168560E-07 23 2.5573367E-06 -3.9710831E-07 24 4.1586148E-06 -6.5248913E-07 25 6.8793211E-06 -1.0723885E-06 26 1.1276847E-05 -1.7648288E-06 27 1.8604103E-05 -2.9043113E-06 28 3.0598007E-05 -4.7860500E-06 29 5.0443622E-05 -7.8771749E-06 30 8.3077198E-05 -1.2994829E-05 31 1.3692621E-04 -2.1391275E-05 32 2.2557528E-04 -3.5283155E-05 33 3.7160505E-04 -5.8101044E-05 34 6.1178635E-04 -9.5735450E-05 35 1.0064090E-03 -1.5752925E-04 36 1.6532570E-03 -2.5911038E-04 37 2.7100220E-03 -4.2513742E-04 38 4.4275615E-03 -6.9629004E-04 39 7.1964785E-03 -1.1346950E-03 40 1.1605664E-02 -1.8387143E-03 41 1.8493783E-02 -2.9480064E-03 42 2.8952805E-02 -4.6602115E-03 43 4.4188626E-02 -7.2048695E-03 44 6.5151621E-02 -1.0826435E-02 45 9.1882615E-02 -1.5667185E-02 46 1.2268884E-01 -2.1745613E-02 47 1.5305580E-01 -2.8833935E-02 48 1.7420233E-01 -3.6621770E-02 49 1.7304149E-01 -4.4509774E-02 50 1.3967308E-01 -5.1086321E-02 51 8.2748851E-02 -5.2833665E-02 52 3.1383198E-02 -4.2704088E-02 53 6.2939353E-03 -1.0029636E-02 54 5.3601687E-04 5.6891760E-02 55 1.1052542E-04 1.5814201E-01 56 1.6394668E-04 2.6332283E-01 57 1.9269100E-04 3.0307709E-01 58 1.4035004E-04 2.2871071E-01 59 6.3604744E-05 9.6221370E-02 60 8.7089809E-06 1.7800963E-02 61 1.8446652E-06 8.5011798E-04 62 -3.1679637E-07 3.2231463E-05 *** Small-Component *** 63 8.9886451E-09 -1.4039830E-09 64 -3.7161688E-09 5.7789669E-10 65 1.3312957E-08 -2.0726025E-09 66 4.8650363E-09 -7.7432346E-10 67 1.4092475E-08 -2.1808670E-09 68 1.7646513E-08 -2.7841526E-09 69 2.2336314E-08 -3.4594509E-09 70 3.4043523E-08 -5.3522753E-09 71 4.2001585E-08 -6.5270843E-09 72 6.1145024E-08 -9.5942039E-09 73 7.8977689E-08 -1.2292771E-08 74 1.1019298E-07 -1.7278142E-08 75 1.4618584E-07 -2.2754273E-08 76 1.9999117E-07 -3.1382833E-08 77 2.6829673E-07 -4.1717267E-08 78 3.6421256E-07 -5.7209221E-08 79 4.9065988E-07 -7.6240126E-08 80 6.6413140E-07 -1.0432550E-07 81 8.9609760E-07 -1.3935922E-07 82 1.2115101E-06 -1.9001114E-07 83 1.6357017E-06 -2.5485744E-07 84 2.2103239E-06 -3.4605822E-07 85 2.9850338E-06 -4.6580094E-07 86 4.0327105E-06 -6.3064681E-07 87 5.4466470E-06 -8.5053951E-07 88 7.3573957E-06 -1.1504305E-06 89 9.9365980E-06 -1.5513769E-06 90 1.3421094E-05 -2.0993958E-06 91 1.8123287E-05 -2.8292688E-06 92 2.4473235E-05 -3.8286160E-06 93 3.3037430E-05 -5.1598975E-06 94 4.4590496E-05 -6.9754344E-06 95 6.0152527E-05 -9.4024830E-06 96 8.1098425E-05 -1.2691893E-05 97 1.0922548E-04 -1.7093489E-05 98 1.4689788E-04 -2.3022734E-05 99 1.9711506E-04 -3.0919931E-05 100 2.6361198E-04 -4.1453354E-05 101 3.5070719E-04 -5.5294596E-05 102 4.6291554E-04 -7.3335008E-05 103 6.0373559E-04 -9.6234014E-05 104 7.7354851E-04 -1.2450134E-04 105 9.6620859E-04 -1.5753034E-04 106 1.1658408E-03 -1.9372069E-04 107 1.3455271E-03 -2.2941888E-04 108 1.4702903E-03 -2.6058494E-04 109 1.5010051E-03 -2.8275808E-04 110 1.3980354E-03 -2.9388897E-04 111 1.1364335E-03 -2.9229684E-04 112 7.5064552E-04 -2.7453848E-04 113 3.6392378E-04 -2.3234434E-04 114 1.1294635E-04 -1.5368183E-04 115 1.8536044E-05 -2.9537048E-05 116 1.2918756E-06 1.3710041E-04 117 2.1804882E-07 3.1186346E-04 118 2.6435454E-07 4.2494487E-04 119 2.5473079E-07 4.0023853E-04 120 1.5146097E-07 2.4716098E-04 121 5.6359800E-08 8.5091063E-05 122 6.2651407E-09 1.2882169E-05 123 1.0989543E-09 5.0340435E-07 124 -1.5381322E-10 1.5619887E-08 RADIAL MOMENTS Sym Orb

S+ 1 1.48981E+01 2.68560E+00 5.73049E-01 4.46700E-01 4.42171E-01 5.32079E-01 2 4.35718E-01 3.45437E-01 3.87333E+00 1.77356E+01 9.38495E+01 5.65714E+02 **************************************************************************************************** **************************************************************************************************** Be [He]2s(2) TW-Mod set27 (62s62p36d36f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 4.0 Atomic Mass = 9.0 Nuclear Radius = 5.632974E-05 Speed of Light = 137.0359955 S+ Number of Closed Shells 2 Open Shells 0 ENERGIES Total Energy = -1.45758916982108E+01 Mass Energy = -1.45758903639427E+01 Kinetic Energy = 2.91575212145477E+01 Potential Energy = -2.91575225488158E+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 1.6540330E+08 1.0000000E+00 1.0000000E+00 3 1.1076215E+08 1.0000000E+00 1.0000000E+00 4 7.4171765E+07 1.0000000E+00 1.0000000E+00 5 4.9669047E+07 1.0000000E+00 1.0000000E+00 6 3.3260827E+07 1.0000000E+00 1.0000000E+00 7 2.2273080E+07 1.0000000E+00 1.0000000E+00 8 1.4915145E+07 1.0000000E+00 1.0000000E+00 9 9.9879120E+06 1.0000000E+00 1.0000000E+00 10 6.6883952E+06 1.0000000E+00 1.0000000E+00 11 4.4788771E+06 1.0000000E+00 1.0000000E+00 12 2.9992755E+06 1.0000000E+00 1.0000000E+00 13 2.0084618E+06 1.0000000E+00 1.0000000E+00 14 1.3449644E+06 1.0000000E+00 1.0000000E+00 15 9.0065408E+05 1.0000000E+00 1.0000000E+00 16 6.0312210E+05 1.0000000E+00 1.0000000E+00 17 4.0388011E+05 1.0000000E+00 1.0000000E+00 18 2.7045791E+05 1.0000000E+00 1.0000000E+00 19 1.8111186E+05 1.0000000E+00 1.0000000E+00 20 1.2128138E+05 1.0000000E+00 1.0000000E+00 21 8.1215952E+04 1.0000000E+00 1.0000000E+00 22 5.4386180E+04 1.0000000E+00 1.0000000E+00 23 3.6419651E+04 1.0000000E+00 1.0000000E+00 24 2.4388382E+04 1.0000000E+00 1.0000000E+00 25 1.6331656E+04 1.0000000E+00 1.0000000E+00 26 1.0936477E+04 1.0000000E+00 1.0000000E+00 27 7.3236006E+03 1.0000000E+00 1.0000000E+00 28 4.9042418E+03 1.0000000E+00 1.0000000E+00 29 3.2841206E+03 1.0000000E+00 1.0000000E+00 30 2.1992080E+03 1.0000000E+00 1.0000000E+00 31 1.4726974E+03 1.0000000E+00 1.0000000E+00 32 9.8619035E+02 1.0000000E+00 1.0000000E+00 33 6.6040137E+02 1.0000000E+00 1.0000000E+00 34 4.4223711E+02 1.0000000E+00 1.0000000E+00 35 2.9614364E+02 1.0000000E+00 1.0000000E+00 36 1.9831229E+02 1.0000000E+00 1.0000000E+00 37 1.3279962E+02 1.0000000E+00 1.0000000E+00 38 8.8929134E+01 1.0000000E+00 1.0000000E+00 39 5.9551305E+01 1.0000000E+00 1.0000000E+00 40 3.9878471E+01 1.0000000E+00 1.0000000E+00 41 2.6704578E+01 1.0000000E+00 1.0000000E+00 42 1.7882694E+01 1.0000000E+00 1.0000000E+00 43 1.1975128E+01 1.0000000E+00 1.0000000E+00 44 8.0191323E+00 1.0000000E+00 1.0000000E+00 45 5.3700039E+00 1.0000000E+00 1.0000000E+00 46 3.5960177E+00 1.0000000E+00 1.0000000E+00 47 2.4080696E+00 1.0000000E+00 1.0000000E+00 48 1.6125614E+00 1.0000000E+00 1.0000000E+00 49 1.0798501E+00 1.0000000E+00 1.0000000E+00 50 7.2312054E-01 1.0000000E+00 1.0000000E+00 51 4.8423694E-01 1.0000000E+00 1.0000000E+00 52 3.2426878E-01 1.0000000E+00 1.0000000E+00 53 2.1714626E-01 1.0000000E+00 1.0000000E+00 54 1.4541177E-01 1.0000000E+00 1.0000000E+00 55 9.7374848E-02 1.0000000E+00 1.0000000E+00 56 6.5206969E-02 1.0000000E+00 1.0000000E+00 57 4.3665781E-02 1.0000000E+00 1.0000000E+00 58 2.9240746E-02 1.0000000E+00 1.0000000E+00 59 1.9581036E-02 1.0000000E+00 1.0000000E+00 60 1.3112421E-02 1.0000000E+00 1.0000000E+00 61 8.7807196E-03 1.0000000E+00 1.0000000E+00 62 5.8800000E-03 1.0000000E+00 1.0000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ -4.7334978E+00 -3.0932211E-01 ------------ ------------ *** Large-Component *** 1 2.4097827E-09 -4.3948467E-10 2 -5.9602380E-09 1.0874134E-09 3 1.2821314E-08 -2.3396199E-09 4 -1.7379046E-08 3.1736655E-09 5 2.5145997E-08 -4.5960376E-09 6 -2.5876692E-08 4.7407023E-09 7 3.4216889E-08 -6.2783273E-09 8 -2.8207348E-08 5.2062313E-09 9 4.1697362E-08 -7.6948237E-09 10 -2.3506499E-08 4.4142491E-09 11 5.3032622E-08 -9.8383668E-09 12 -7.3308336E-09 1.5544989E-09 13 7.9123585E-08 -1.4696509E-08 14 3.5184448E-08 -6.0806638E-09 15 1.4622287E-07 -2.7051119E-08 16 1.4544348E-07 -2.6071271E-08 17 3.2310301E-07 -5.9367124E-08 18 4.3528982E-07 -7.8903652E-08 19 7.9383656E-07 -1.4511471E-07 20 1.2065477E-06 -2.1965767E-07 21 2.0547687E-06 -3.7475785E-07 22 3.2754313E-06 -5.9715169E-07 23 5.4493117E-06 -9.9319905E-07 24 8.8537736E-06 -1.6147109E-06 25 1.4620806E-05 -2.6646473E-06 26 2.3943766E-05 -4.3669650E-06 27 3.9459646E-05 -7.1926634E-06 28 6.4841788E-05 -1.1826625E-05 29 1.0681446E-04 -1.9475712E-05 30 1.7576437E-04 -3.2064730E-05 31 2.8945947E-04 -5.2804975E-05 32 4.7635838E-04 -8.6954516E-05 33 7.8378180E-04 -1.4312959E-04 34 1.2881353E-03 -2.3546925E-04 35 2.1140329E-03 -3.8691935E-04 36 3.4607124E-03 -6.3464281E-04 37 5.6439185E-03 -1.0380094E-03 38 9.1502380E-03 -1.6900780E-03 39 1.4702361E-02 -2.7327492E-03 40 2.3305327E-02 -4.3716649E-03 41 3.6213915E-02 -6.8838213E-03 42 5.4709868E-02 -1.0597746E-02 43 7.9575970E-02 -1.5835645E-02 44 1.1022155E-01 -2.2809984E-02 45 1.4341578E-01 -3.1531420E-02 46 1.7145957E-01 -4.1707496E-02 47 1.8089735E-01 -5.2386793E-02 48 1.5769770E-01 -6.0638892E-02 49 1.0364918E-01 -5.9613333E-02 50 4.5664708E-02 -3.9202313E-02 51 1.1492067E-02 7.3494698E-03 52 1.2907146E-03 7.6192548E-02 53 4.6070573E-05 1.5451245E-01 54 -5.2380066E-07 2.2548392E-01 55 -1.2851752E-06 2.6111103E-01 56 4.2468239E-06 2.2816875E-01 57 -7.0777421E-06 1.3359383E-01 58 8.4034604E-06 4.3611183E-02 59 -7.6184230E-06 5.9286349E-03 60 5.2519685E-06 2.5521568E-04 61 -2.4691949E-06 -1.5176246E-05 62 5.6782929E-07 4.1735787E-06 *** Small-Component *** 63 9.4230245E-09 -1.7174057E-09 64 1.7676376E-08 -3.2231244E-09 65 -1.4974594E-08 2.7332899E-09 66 6.4491630E-08 -1.1763708E-08 67 -2.9169760E-08 5.3320035E-09 68 9.4443831E-08 -1.7237861E-08 69 -5.2376313E-09 9.8687387E-10 70 1.1761924E-07 -2.1481197E-08 71 4.9771523E-08 -9.0190716E-09 72 1.6171639E-07 -2.9541904E-08 73 1.4009739E-07 -2.5457840E-08 74 2.5490527E-07 -4.6556402E-08 75 2.9121254E-07 -5.2970187E-08 76 4.3731442E-07 -7.9841560E-08 77 5.5564993E-07 -1.0112941E-07 78 7.7944465E-07 -1.4225032E-07 79 1.0300425E-06 -1.8754646E-07 80 1.4100968E-06 -2.5726463E-07 81 1.8900708E-06 -3.4423951E-07 82 2.5649993E-06 -4.6785885E-07 83 3.4554691E-06 -6.2948825E-07 84 4.6748390E-06 -8.5254668E-07 85 6.3088211E-06 -1.1494984E-06 86 8.5255439E-06 -1.5546146E-06 87 1.1511900E-05 -2.0978761E-06 88 1.5549894E-05 -2.8353498E-06 89 2.0998632E-05 -3.8273964E-06 90 2.8356113E-05 -5.1707002E-06 91 3.8284939E-05 -6.9799958E-06 92 5.1678117E-05 -9.4257382E-06 93 6.9735167E-05 -1.2720078E-05 94 9.4051240E-05 -1.7165102E-05 95 1.2675533E-04 -2.3144296E-05 96 1.7063290E-04 -3.1186541E-05 97 2.2931316E-04 -4.1964023E-05 98 3.0737485E-04 -5.6359700E-05 99 4.1039856E-04 -7.5468790E-05 100 5.4469204E-04 -1.0059224E-04 101 7.1640805E-04 -1.3314255E-04 102 9.2952337E-04 -1.7433950E-04 103 1.1821886E-03 -2.2469232E-04 104 1.4617236E-03 -2.8311461E-04 105 1.7400126E-03 -3.4622531E-04 106 1.9724033E-03 -4.0813879E-04 107 2.1002675E-03 -4.6171827E-04 108 2.0548600E-03 -4.9979055E-04 109 1.7741496E-03 -5.1372792E-04 110 1.2656638E-03 -4.8662485E-04 111 6.8075131E-04 -3.9148977E-04 112 2.4543308E-04 -2.1067857E-04 113 5.0543890E-05 3.2314398E-05 114 4.6459501E-06 2.7419213E-04 115 1.3543925E-07 4.5502319E-04 116 -1.2052684E-09 5.4338956E-04 117 -2.4221637E-09 5.1492719E-04 118 6.6334802E-09 3.6821433E-04 119 -9.0867737E-09 1.7642338E-04 120 8.8232280E-09 4.7128998E-05 121 -6.5100880E-09 5.2431492E-06 122 3.6324683E-09 1.8450855E-07 123 -1.3755430E-09 -8.8931598E-09 124 2.5356025E-10 1.9991305E-09 RADIAL MOMENTS Sym Orb

S+ 1 2.77867E+01 3.68330E+00 4.14891E-01 2.32855E-01 1.65222E-01 1.41962E-01 2 1.05707E+00 5.22671E-01 2.64894E+00 8.42364E+00 3.13954E+01 1.35106E+02 ****************************************************************************************************