**************************************************************************************************** B [He]2s(2)2p(1) TW-Mod set27 (62s62p36d36f) 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 = -2.45365542418328E+01 Mass Energy = -2.45365536170096E+01 Kinetic Energy = 4.90881069612965E+01 Potential Energy = -4.90881075861196E+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 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.6590119E+08 1.0000000E+00 1.0000000E+00 3 1.1031345E+08 1.0000000E+00 1.0000000E+00 4 7.3351237E+07 1.0000000E+00 1.0000000E+00 5 4.8773779E+07 1.0000000E+00 1.0000000E+00 6 3.2431375E+07 1.0000000E+00 1.0000000E+00 7 2.1564745E+07 1.0000000E+00 1.0000000E+00 8 1.4339146E+07 1.0000000E+00 1.0000000E+00 9 9.5345951E+06 1.0000000E+00 1.0000000E+00 10 6.3398826E+06 1.0000000E+00 1.0000000E+00 11 4.2156076E+06 1.0000000E+00 1.0000000E+00 12 2.8031036E+06 1.0000000E+00 1.0000000E+00 13 1.8638807E+06 1.0000000E+00 1.0000000E+00 14 1.2393588E+06 1.0000000E+00 1.0000000E+00 15 8.2409264E+05 1.0000000E+00 1.0000000E+00 16 5.4796775E+05 1.0000000E+00 1.0000000E+00 17 3.6436274E+05 1.0000000E+00 1.0000000E+00 18 2.4227741E+05 1.0000000E+00 1.0000000E+00 19 1.6109864E+05 1.0000000E+00 1.0000000E+00 20 1.0712007E+05 1.0000000E+00 1.0000000E+00 21 7.1227846E+04 1.0000000E+00 1.0000000E+00 22 4.7361863E+04 1.0000000E+00 1.0000000E+00 23 3.1492544E+04 1.0000000E+00 1.0000000E+00 24 2.0940483E+04 1.0000000E+00 1.0000000E+00 25 1.3924053E+04 1.0000000E+00 1.0000000E+00 26 9.2585852E+03 1.0000000E+00 1.0000000E+00 27 6.1563541E+03 1.0000000E+00 1.0000000E+00 28 4.0935732E+03 1.0000000E+00 1.0000000E+00 29 2.7219586E+03 1.0000000E+00 1.0000000E+00 30 1.8099246E+03 1.0000000E+00 1.0000000E+00 31 1.2034816E+03 1.0000000E+00 1.0000000E+00 32 8.0023660E+02 1.0000000E+00 1.0000000E+00 33 5.3210504E+02 1.0000000E+00 1.0000000E+00 34 3.5381508E+02 1.0000000E+00 1.0000000E+00 35 2.3526390E+02 1.0000000E+00 1.0000000E+00 36 1.5643512E+02 1.0000000E+00 1.0000000E+00 37 1.0401913E+02 1.0000000E+00 1.0000000E+00 38 6.9165925E+01 1.0000000E+00 1.0000000E+00 39 4.5990820E+01 1.0000000E+00 1.0000000E+00 40 3.0580890E+01 1.0000000E+00 1.0000000E+00 41 2.0334293E+01 1.0000000E+00 1.0000000E+00 42 1.3520976E+01 1.0000000E+00 1.0000000E+00 43 8.9905654E+00 1.0000000E+00 1.0000000E+00 44 5.9781384E+00 1.0000000E+00 1.0000000E+00 45 3.9750714E+00 1.0000000E+00 1.0000000E+00 46 2.6431627E+00 1.0000000E+00 1.0000000E+00 47 1.7575304E+00 1.0000000E+00 1.0000000E+00 48 1.1686429E+00 1.0000000E+00 1.0000000E+00 49 7.7707115E-01 1.0000000E+00 1.0000000E+00 50 5.1670153E-01 1.0000000E+00 1.0000000E+00 51 3.4357275E-01 1.0000000E+00 1.0000000E+00 52 2.2845342E-01 1.0000000E+00 1.0000000E+00 53 1.5190660E-01 1.0000000E+00 1.0000000E+00 54 1.0100796E-01 1.0000000E+00 1.0000000E+00 55 6.7163692E-02 1.0000000E+00 1.0000000E+00 56 4.4659466E-02 1.0000000E+00 1.0000000E+00 57 2.9695626E-02 1.0000000E+00 1.0000000E+00 58 1.9745651E-02 1.0000000E+00 1.0000000E+00 59 1.3129567E-02 1.0000000E+00 1.0000000E+00 60 8.7303042E-03 1.0000000E+00 1.0000000E+00 61 5.8050818E-03 1.0000000E+00 1.0000000E+00 62 3.8600000E-03 1.0000000E+00 1.0000000E+00 P+ 1 2.0100000E+07 1.0000000E+00 1.0000000E+00 2 1.3908851E+07 1.0000000E+00 1.0000000E+00 3 9.6246835E+06 1.0000000E+00 1.0000000E+00 4 6.6601139E+06 1.0000000E+00 1.0000000E+00 5 4.6086832E+06 1.0000000E+00 1.0000000E+00 6 3.1891288E+06 1.0000000E+00 1.0000000E+00 7 2.2068218E+06 1.0000000E+00 1.0000000E+00 8 1.5270824E+06 1.0000000E+00 1.0000000E+00 9 1.0567145E+06 1.0000000E+00 1.0000000E+00 10 7.3122808E+05 1.0000000E+00 1.0000000E+00 11 5.0599714E+05 1.0000000E+00 1.0000000E+00 12 3.5014123E+05 1.0000000E+00 1.0000000E+00 13 2.4229166E+05 1.0000000E+00 1.0000000E+00 14 1.6766162E+05 1.0000000E+00 1.0000000E+00 15 1.1601893E+05 1.0000000E+00 1.0000000E+00 16 8.0283086E+04 1.0000000E+00 1.0000000E+00 17 5.5554502E+04 1.0000000E+00 1.0000000E+00 18 3.8442751E+04 1.0000000E+00 1.0000000E+00 19 2.6601716E+04 1.0000000E+00 1.0000000E+00 20 1.8407926E+04 1.0000000E+00 1.0000000E+00 21 1.2737965E+04 1.0000000E+00 1.0000000E+00 22 8.8144508E+03 1.0000000E+00 1.0000000E+00 23 6.0994470E+03 1.0000000E+00 1.0000000E+00 24 4.2207114E+03 1.0000000E+00 1.0000000E+00 25 2.9206590E+03 1.0000000E+00 1.0000000E+00 26 2.0210454E+03 1.0000000E+00 1.0000000E+00 27 1.3985283E+03 1.0000000E+00 1.0000000E+00 28 9.6775731E+02 1.0000000E+00 1.0000000E+00 29 6.6967126E+02 1.0000000E+00 1.0000000E+00 30 4.6340089E+02 1.0000000E+00 1.0000000E+00 31 3.2066537E+02 1.0000000E+00 1.0000000E+00 32 2.2189487E+02 1.0000000E+00 1.0000000E+00 33 1.5354740E+02 1.0000000E+00 1.0000000E+00 34 1.0625213E+02 1.0000000E+00 1.0000000E+00 35 7.3524632E+01 1.0000000E+00 1.0000000E+00 36 5.0877769E+01 1.0000000E+00 1.0000000E+00 37 3.5206533E+01 1.0000000E+00 1.0000000E+00 38 2.4362310E+01 1.0000000E+00 1.0000000E+00 39 1.6858295E+01 1.0000000E+00 1.0000000E+00 40 1.1665648E+01 1.0000000E+00 1.0000000E+00 41 8.0724258E+00 1.0000000E+00 1.0000000E+00 42 5.5859785E+00 1.0000000E+00 1.0000000E+00 43 3.8654002E+00 1.0000000E+00 1.0000000E+00 44 2.6747898E+00 1.0000000E+00 1.0000000E+00 45 1.8509081E+00 1.0000000E+00 1.0000000E+00 46 1.2807963E+00 1.0000000E+00 1.0000000E+00 47 8.8628880E-01 1.0000000E+00 1.0000000E+00 48 6.1329646E-01 1.0000000E+00 1.0000000E+00 49 4.2439051E-01 1.0000000E+00 1.0000000E+00 50 2.9367086E-01 1.0000000E+00 1.0000000E+00 51 2.0321514E-01 1.0000000E+00 1.0000000E+00 52 1.4062135E-01 1.0000000E+00 1.0000000E+00 53 9.7307533E-02 1.0000000E+00 1.0000000E+00 54 6.7335124E-02 1.0000000E+00 1.0000000E+00 55 4.6594737E-02 1.0000000E+00 1.0000000E+00 56 3.2242749E-02 1.0000000E+00 1.0000000E+00 57 2.2311423E-02 1.0000000E+00 1.0000000E+00 58 1.5439117E-02 1.0000000E+00 1.0000000E+00 59 1.0683601E-02 1.0000000E+00 1.0000000E+00 60 7.3928665E-03 1.0000000E+00 1.0000000E+00 61 5.1157353E-03 1.0000000E+00 1.0000000E+00 62 3.5400000E-03 1.0000000E+00 1.0000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ -7.6976443E+00 -4.9491922E-01 ------------ ------------ *** Large-Component *** 1 4.1672104E-09 -8.4193569E-10 2 -9.1883601E-09 1.8566625E-09 3 1.9786130E-08 -3.9983974E-09 4 -2.5227206E-08 5.0994212E-09 5 3.7551543E-08 -7.5929882E-09 6 -3.6349880E-08 7.3570075E-09 7 5.1120212E-08 -1.0351243E-08 8 -3.8091613E-08 7.7330868E-09 9 6.3733708E-08 -1.2931141E-08 10 -2.8274238E-08 5.7884750E-09 11 8.4600120E-08 -1.7193164E-08 12 1.9155822E-09 -2.5773622E-10 13 1.3297801E-07 -2.7028578E-08 14 7.9773682E-08 -1.5919355E-08 15 2.5596878E-07 -5.1951743E-08 16 2.8001473E-07 -5.6311664E-08 17 5.7688848E-07 -1.1683566E-07 18 8.0324431E-07 -1.6202554E-07 19 1.4250082E-06 -2.8815970E-07 20 2.1889277E-06 -4.4209754E-07 21 3.6863236E-06 -7.4493716E-07 22 5.8927666E-06 -1.1906866E-06 23 9.7547783E-06 -1.9709202E-06 24 1.5853567E-05 -3.2038182E-06 25 2.6114033E-05 -5.2764800E-06 26 4.2746620E-05 -8.6394390E-06 27 7.0343382E-05 -1.4215773E-05 28 1.1551792E-04 -2.3351833E-05 29 1.9009205E-04 -3.8430007E-05 30 3.1255700E-04 -6.3213792E-05 31 5.1418997E-04 -1.0403212E-04 32 8.4523592E-04 -1.7113732E-04 33 1.3885352E-03 -2.8140921E-04 34 2.2773055E-03 -4.6224597E-04 35 3.7261850E-03 -7.5801389E-04 36 6.0732280E-03 -1.2396012E-03 37 9.8403559E-03 -2.0184140E-03 38 1.5799855E-02 -3.2644142E-03 39 2.5024376E-02 -5.2254639E-03 40 3.8845905E-02 -8.2372194E-03 41 5.8607961E-02 -1.2705347E-02 42 8.5067729E-02 -1.9036602E-02 43 1.1734740E-01 -2.7519306E-02 44 1.5131650E-01 -3.8162188E-02 45 1.7741171E-01 -5.0406887E-02 46 1.8032747E-01 -6.2218133E-02 47 1.4785985E-01 -6.8141223E-02 48 8.9006005E-02 -5.8179593E-02 49 3.4975012E-02 -2.2156163E-02 50 7.7733950E-03 4.1007568E-02 51 9.8630142E-04 1.1919741E-01 52 2.4877133E-04 1.9361504E-01 53 1.4761976E-04 2.4378954E-01 54 8.5132837E-05 2.4547232E-01 55 3.9090177E-05 1.8514465E-01 56 1.6669792E-05 9.2203464E-02 57 1.5718798E-06 2.4972231E-02 58 2.6565278E-06 2.8002227E-03 59 -1.4665362E-06 8.4574952E-05 60 6.4801090E-07 2.3556233E-07 61 -1.3051096E-07 1.7328988E-06 62 6.6847984E-09 -5.8924704E-07 *** Small-Component *** 63 4.1581280E-09 -8.3982289E-10 64 6.3177753E-08 -1.2762537E-08 65 -7.9137808E-08 1.5988093E-08 66 1.7940357E-07 -3.6244556E-08 67 -1.2174930E-07 2.4602614E-08 68 2.3504441E-07 -4.7493083E-08 69 -7.0832578E-08 1.4328273E-08 70 2.6241238E-07 -5.3033393E-08 71 4.2881400E-08 -8.6285450E-09 72 3.2535722E-07 -6.5762759E-08 73 2.1765112E-07 -4.3915509E-08 74 4.7885482E-07 -9.6787415E-08 75 4.9675523E-07 -1.0027337E-07 76 7.9460216E-07 -1.6059177E-07 77 9.7403724E-07 -1.9665706E-07 78 1.3971082E-06 -2.8232848E-07 79 1.8221365E-06 -3.6793810E-07 80 2.5144370E-06 -5.0807107E-07 81 3.3540112E-06 -6.7733297E-07 82 4.5648261E-06 -9.2231393E-07 83 6.1383067E-06 -1.2397171E-06 84 8.3129801E-06 -1.6795568E-06 85 1.1210247E-05 -2.2642561E-06 86 1.5154369E-05 -3.0617971E-06 87 2.0455221E-05 -4.1320173E-06 88 2.7631640E-05 -5.5830948E-06 89 3.7303742E-05 -7.5368558E-06 90 5.0367299E-05 -1.0179009E-05 91 6.7979838E-05 -1.3739682E-05 92 9.1726647E-05 -1.8546600E-05 93 1.2370025E-04 -2.5021049E-05 94 1.6669300E-04 -3.3742108E-05 95 2.2436685E-04 -4.5460337E-05 96 3.0146782E-04 -6.1176419E-05 97 4.0399672E-04 -8.2164755E-05 98 5.3923437E-04 -1.1003613E-04 99 7.1538562E-04 -1.4670301E-04 100 9.4040145E-04 -1.9425239E-04 101 1.2192915E-03 -2.5455087E-04 102 1.5493237E-03 -3.2846289E-04 103 1.9132623E-03 -4.1468461E-04 104 2.2729015E-03 -5.0853710E-04 105 2.5660601E-03 -6.0166084E-04 106 2.7079692E-03 -6.8283024E-04 107 2.5983250E-03 -7.3811213E-04 108 2.1613242E-03 -7.4558124E-04 109 1.4502670E-03 -6.6823504E-04 110 7.1441597E-04 -4.6690663E-04 111 2.2972951E-04 -1.4551849E-04 112 4.1783160E-05 2.2036344E-04 113 4.3378062E-06 5.2418634E-04 114 8.9561002E-07 6.9676565E-04 115 4.3460946E-07 7.1794056E-04 116 2.0533524E-07 5.9156294E-04 117 7.6868431E-08 3.6511861E-04 118 2.7230030E-08 1.4879731E-04 119 1.6735209E-09 3.2978028E-05 120 3.2611765E-09 3.0264253E-06 121 -1.5854870E-09 7.4572680E-08 122 6.1999498E-10 2.8602451E-10 123 -1.2724834E-10 9.8811022E-10 124 1.1457316E-11 -2.7932970E-10 2P- -3.0981346E-01 ------------ *** Large-Component *** 1 -2.8569239E-12 2 1.5342499E-10 3 -2.4656324E-10 4 5.1519813E-10 5 -5.1592993E-10 6 8.1779847E-10 7 -6.0944918E-10 8 1.0243302E-09 9 -5.2234661E-10 10 1.2306404E-09 11 -2.5756327E-10 12 1.5563343E-09 13 2.5283486E-10 14 2.1611952E-09 15 1.1849609E-09 16 3.3157189E-09 17 2.9006615E-09 18 5.5381159E-09 19 6.1401672E-09 20 9.9119677E-09 21 1.2536929E-08 22 1.8976769E-08 23 2.6198628E-08 24 3.9648434E-08 25 5.9226340E-08 26 9.3905599E-08 27 1.5270162E-07 28 2.6048492E-07 29 4.6023460E-07 30 8.4310529E-07 31 1.5878797E-06 32 3.0589006E-06 33 5.9885426E-06 34 1.1861461E-05 35 2.3664553E-05 36 4.7397756E-05 37 9.4982764E-05 38 1.8973735E-04 39 3.7606240E-04 40 7.3513113E-04 41 1.4072835E-03 42 2.6196103E-03 43 4.7192291E-03 44 8.2332290E-03 45 1.4028780E-02 46 2.3601608E-02 47 3.9135745E-02 48 6.2550074E-02 49 9.3572582E-02 50 1.2855549E-01 51 1.6132285E-01 52 1.8390402E-01 53 1.8602472E-01 54 1.5867780E-01 55 1.0510755E-01 56 4.7571990E-02 57 1.2123719E-02 58 1.2868198E-03 59 3.8382461E-05 60 1.3842920E-06 61 -1.9482807E-06 62 8.0757043E-07 *** Small-Component *** 63 1.3346088E-12 64 -7.1060829E-13 65 2.8243120E-12 66 2.9989544E-13 67 3.5535717E-12 68 3.4665626E-12 69 5.3153872E-12 70 9.0359704E-12 71 1.0898165E-11 72 1.9647768E-11 73 2.5508009E-11 74 4.2853924E-11 75 6.1836897E-11 76 9.8230756E-11 77 1.5268522E-10 78 2.3731387E-10 79 3.8452357E-10 80 5.9812222E-10 81 9.8866196E-10 82 1.5545146E-09 83 2.5907929E-09 84 4.1267810E-09 85 6.8971306E-09 86 1.1112100E-08 87 1.8587178E-08 88 3.0214898E-08 89 5.0499875E-08 90 8.2740676E-08 91 1.3797229E-07 92 2.2745537E-07 93 3.7852730E-07 94 6.2621644E-07 95 1.0405357E-06 96 1.7229295E-06 97 2.8564452E-06 98 4.7186701E-06 99 7.7779082E-06 100 1.2734094E-05 101 2.0661931E-05 102 3.3009002E-05 103 5.1618821E-05 104 7.8426143E-05 105 1.1530037E-04 106 1.6408764E-04 107 2.2807245E-04 108 3.1292103E-04 109 4.2319398E-04 110 5.5156334E-04 111 6.7291160E-04 112 7.5383918E-04 113 7.7146608E-04 114 7.1707777E-04 115 5.9155870E-04 116 4.1137141E-04 117 2.2229895E-04 118 8.1928248E-05 119 1.7133253E-05 120 1.3685929E-06 121 1.3015526E-07 122 -8.3252736E-08 123 4.8595268E-08 124 -2.1136208E-08 2P+ -3.0972050E-01 ------------ *** Large-Component *** 1 1.6276478E-12 2 -5.2379750E-12 3 1.1673609E-11 4 -1.7534325E-11 5 2.5162866E-11 6 -2.7269275E-11 7 3.5365750E-11 8 -2.8384664E-11 9 4.5160766E-11 10 -1.5295023E-11 11 6.9082766E-11 12 3.3995964E-11 13 1.5328041E-10 14 2.0281147E-10 15 4.5753202E-10 16 7.9169304E-10 17 1.5515007E-09 18 2.8795981E-09 19 5.4812982E-09 20 1.0349062E-08 21 1.9618872E-08 22 3.7202626E-08 23 7.0573665E-08 24 1.3401497E-07 25 2.5449383E-07 26 4.8357149E-07 27 9.1886323E-07 28 1.7462654E-06 29 3.3182005E-06 30 6.3032282E-06 31 1.1965960E-05 32 2.2690961E-05 33 4.2950921E-05 34 8.1059940E-05 35 1.5226350E-04 36 2.8391482E-04 37 5.2356216E-04 38 9.5036758E-04 39 1.6893393E-03 40 2.9275620E-03 41 4.9356818E-03 42 8.1140982E-03 43 1.3104074E-02 44 2.0955427E-02 45 3.3135520E-02 46 5.1007187E-02 47 7.4762392E-02 48 1.0258790E-01 49 1.3087365E-01 50 1.5492764E-01 51 1.6881991E-01 52 1.6537721E-01 53 1.3960733E-01 54 9.5231493E-02 55 4.7738429E-02 56 1.5299986E-02 57 2.5595267E-03 58 1.6630632E-04 59 2.9126120E-06 60 -1.3273116E-07 61 5.9356289E-08 62 -6.5293167E-09 *** Small-Component *** 63 2.3057942E-11 64 -5.9674075E-11 65 1.1413350E-10 66 -1.3910231E-10 67 1.7569974E-10 68 -1.4853963E-10 69 1.8454363E-10 70 -9.6232120E-11 71 1.9301125E-10 72 6.6868541E-12 73 2.6519786E-10 74 2.0570481E-10 75 5.0552287E-10 76 6.5084208E-10 77 1.1566416E-09 78 1.7273123E-09 79 2.8253066E-09 80 4.4010176E-09 81 7.0369299E-09 82 1.1093166E-08 83 1.7622757E-08 84 2.7876712E-08 85 4.4197880E-08 86 6.9983551E-08 87 1.1087593E-07 88 1.7559103E-07 89 2.7806390E-07 90 4.4022887E-07 91 6.9670561E-07 92 1.1020603E-06 93 1.7418022E-06 94 2.7495629E-06 95 4.3319168E-06 96 6.8041801E-06 97 1.0636146E-05 98 1.6503241E-05 99 2.5322825E-05 100 3.8245291E-05 101 5.6561973E-05 102 8.1549297E-05 103 1.1438096E-04 104 1.5643312E-04 105 2.1016816E-04 106 2.7959038E-04 107 3.6777284E-04 108 4.7094925E-04 109 5.7422229E-04 110 6.5545827E-04 111 6.9558726E-04 112 6.8498001E-04 113 6.2090000E-04 114 5.0596715E-04 115 3.5530658E-04 116 2.0161545E-04 117 8.4073548E-05 118 2.2414555E-05 119 3.1192287E-06 120 1.6859015E-07 121 2.4601504E-09 122 -9.5883028E-11 123 3.5886488E-11 124 -3.4221286E-12 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 8.36605E+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 set27 (62s62p36d36f) 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 = -3.76760407346764E+01 Mass Energy = -3.76760363405579E+01 Kinetic Energy = 7.53847952655240E+01 Potential Energy = -7.53847996596425E+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 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.6590119E+08 1.0000000E+00 1.0000000E+00 3 1.1031345E+08 1.0000000E+00 1.0000000E+00 4 7.3351237E+07 1.0000000E+00 1.0000000E+00 5 4.8773779E+07 1.0000000E+00 1.0000000E+00 6 3.2431375E+07 1.0000000E+00 1.0000000E+00 7 2.1564745E+07 1.0000000E+00 1.0000000E+00 8 1.4339146E+07 1.0000000E+00 1.0000000E+00 9 9.5345951E+06 1.0000000E+00 1.0000000E+00 10 6.3398826E+06 1.0000000E+00 1.0000000E+00 11 4.2156076E+06 1.0000000E+00 1.0000000E+00 12 2.8031036E+06 1.0000000E+00 1.0000000E+00 13 1.8638807E+06 1.0000000E+00 1.0000000E+00 14 1.2393588E+06 1.0000000E+00 1.0000000E+00 15 8.2409264E+05 1.0000000E+00 1.0000000E+00 16 5.4796775E+05 1.0000000E+00 1.0000000E+00 17 3.6436274E+05 1.0000000E+00 1.0000000E+00 18 2.4227741E+05 1.0000000E+00 1.0000000E+00 19 1.6109864E+05 1.0000000E+00 1.0000000E+00 20 1.0712007E+05 1.0000000E+00 1.0000000E+00 21 7.1227846E+04 1.0000000E+00 1.0000000E+00 22 4.7361863E+04 1.0000000E+00 1.0000000E+00 23 3.1492544E+04 1.0000000E+00 1.0000000E+00 24 2.0940483E+04 1.0000000E+00 1.0000000E+00 25 1.3924053E+04 1.0000000E+00 1.0000000E+00 26 9.2585852E+03 1.0000000E+00 1.0000000E+00 27 6.1563541E+03 1.0000000E+00 1.0000000E+00 28 4.0935732E+03 1.0000000E+00 1.0000000E+00 29 2.7219586E+03 1.0000000E+00 1.0000000E+00 30 1.8099246E+03 1.0000000E+00 1.0000000E+00 31 1.2034816E+03 1.0000000E+00 1.0000000E+00 32 8.0023660E+02 1.0000000E+00 1.0000000E+00 33 5.3210504E+02 1.0000000E+00 1.0000000E+00 34 3.5381508E+02 1.0000000E+00 1.0000000E+00 35 2.3526390E+02 1.0000000E+00 1.0000000E+00 36 1.5643512E+02 1.0000000E+00 1.0000000E+00 37 1.0401913E+02 1.0000000E+00 1.0000000E+00 38 6.9165925E+01 1.0000000E+00 1.0000000E+00 39 4.5990820E+01 1.0000000E+00 1.0000000E+00 40 3.0580890E+01 1.0000000E+00 1.0000000E+00 41 2.0334293E+01 1.0000000E+00 1.0000000E+00 42 1.3520976E+01 1.0000000E+00 1.0000000E+00 43 8.9905654E+00 1.0000000E+00 1.0000000E+00 44 5.9781384E+00 1.0000000E+00 1.0000000E+00 45 3.9750714E+00 1.0000000E+00 1.0000000E+00 46 2.6431627E+00 1.0000000E+00 1.0000000E+00 47 1.7575304E+00 1.0000000E+00 1.0000000E+00 48 1.1686429E+00 1.0000000E+00 1.0000000E+00 49 7.7707115E-01 1.0000000E+00 1.0000000E+00 50 5.1670153E-01 1.0000000E+00 1.0000000E+00 51 3.4357275E-01 1.0000000E+00 1.0000000E+00 52 2.2845342E-01 1.0000000E+00 1.0000000E+00 53 1.5190660E-01 1.0000000E+00 1.0000000E+00 54 1.0100796E-01 1.0000000E+00 1.0000000E+00 55 6.7163692E-02 1.0000000E+00 1.0000000E+00 56 4.4659466E-02 1.0000000E+00 1.0000000E+00 57 2.9695626E-02 1.0000000E+00 1.0000000E+00 58 1.9745651E-02 1.0000000E+00 1.0000000E+00 59 1.3129567E-02 1.0000000E+00 1.0000000E+00 60 8.7303042E-03 1.0000000E+00 1.0000000E+00 61 5.8050818E-03 1.0000000E+00 1.0000000E+00 62 3.8600000E-03 1.0000000E+00 1.0000000E+00 P+ 1 2.0100000E+07 1.0000000E+00 1.0000000E+00 2 1.3908851E+07 1.0000000E+00 1.0000000E+00 3 9.6246835E+06 1.0000000E+00 1.0000000E+00 4 6.6601139E+06 1.0000000E+00 1.0000000E+00 5 4.6086832E+06 1.0000000E+00 1.0000000E+00 6 3.1891288E+06 1.0000000E+00 1.0000000E+00 7 2.2068218E+06 1.0000000E+00 1.0000000E+00 8 1.5270824E+06 1.0000000E+00 1.0000000E+00 9 1.0567145E+06 1.0000000E+00 1.0000000E+00 10 7.3122808E+05 1.0000000E+00 1.0000000E+00 11 5.0599714E+05 1.0000000E+00 1.0000000E+00 12 3.5014123E+05 1.0000000E+00 1.0000000E+00 13 2.4229166E+05 1.0000000E+00 1.0000000E+00 14 1.6766162E+05 1.0000000E+00 1.0000000E+00 15 1.1601893E+05 1.0000000E+00 1.0000000E+00 16 8.0283086E+04 1.0000000E+00 1.0000000E+00 17 5.5554502E+04 1.0000000E+00 1.0000000E+00 18 3.8442751E+04 1.0000000E+00 1.0000000E+00 19 2.6601716E+04 1.0000000E+00 1.0000000E+00 20 1.8407926E+04 1.0000000E+00 1.0000000E+00 21 1.2737965E+04 1.0000000E+00 1.0000000E+00 22 8.8144508E+03 1.0000000E+00 1.0000000E+00 23 6.0994470E+03 1.0000000E+00 1.0000000E+00 24 4.2207114E+03 1.0000000E+00 1.0000000E+00 25 2.9206590E+03 1.0000000E+00 1.0000000E+00 26 2.0210454E+03 1.0000000E+00 1.0000000E+00 27 1.3985283E+03 1.0000000E+00 1.0000000E+00 28 9.6775731E+02 1.0000000E+00 1.0000000E+00 29 6.6967126E+02 1.0000000E+00 1.0000000E+00 30 4.6340089E+02 1.0000000E+00 1.0000000E+00 31 3.2066537E+02 1.0000000E+00 1.0000000E+00 32 2.2189487E+02 1.0000000E+00 1.0000000E+00 33 1.5354740E+02 1.0000000E+00 1.0000000E+00 34 1.0625213E+02 1.0000000E+00 1.0000000E+00 35 7.3524632E+01 1.0000000E+00 1.0000000E+00 36 5.0877769E+01 1.0000000E+00 1.0000000E+00 37 3.5206533E+01 1.0000000E+00 1.0000000E+00 38 2.4362310E+01 1.0000000E+00 1.0000000E+00 39 1.6858295E+01 1.0000000E+00 1.0000000E+00 40 1.1665648E+01 1.0000000E+00 1.0000000E+00 41 8.0724258E+00 1.0000000E+00 1.0000000E+00 42 5.5859785E+00 1.0000000E+00 1.0000000E+00 43 3.8654002E+00 1.0000000E+00 1.0000000E+00 44 2.6747898E+00 1.0000000E+00 1.0000000E+00 45 1.8509081E+00 1.0000000E+00 1.0000000E+00 46 1.2807963E+00 1.0000000E+00 1.0000000E+00 47 8.8628880E-01 1.0000000E+00 1.0000000E+00 48 6.1329646E-01 1.0000000E+00 1.0000000E+00 49 4.2439051E-01 1.0000000E+00 1.0000000E+00 50 2.9367086E-01 1.0000000E+00 1.0000000E+00 51 2.0321514E-01 1.0000000E+00 1.0000000E+00 52 1.4062135E-01 1.0000000E+00 1.0000000E+00 53 9.7307533E-02 1.0000000E+00 1.0000000E+00 54 6.7335124E-02 1.0000000E+00 1.0000000E+00 55 4.6594737E-02 1.0000000E+00 1.0000000E+00 56 3.2242749E-02 1.0000000E+00 1.0000000E+00 57 2.2311423E-02 1.0000000E+00 1.0000000E+00 58 1.5439117E-02 1.0000000E+00 1.0000000E+00 59 1.0683601E-02 1.0000000E+00 1.0000000E+00 60 7.3928665E-03 1.0000000E+00 1.0000000E+00 61 5.1157353E-03 1.0000000E+00 1.0000000E+00 62 3.5400000E-03 1.0000000E+00 1.0000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ -1.1343600E+01 -7.1260280E-01 ------------ ------------ *** Large-Component *** 1 7.0527048E-09 -1.5077923E-09 2 -1.4557760E-08 3.1128996E-09 3 3.1341245E-08 -6.7023495E-09 4 -3.8441253E-08 8.2240980E-09 5 5.8215047E-08 -1.2459470E-08 6 -5.4240558E-08 1.1624763E-08 7 7.9172355E-08 -1.6977146E-08 8 -5.5565607E-08 1.1961224E-08 9 9.9781611E-08 -2.1452478E-08 10 -3.8518887E-08 8.4018751E-09 11 1.3477270E-07 -2.9034523E-08 12 1.1711186E-08 -2.2212921E-09 13 2.1525951E-07 -4.6375162E-08 14 1.3967210E-07 -2.9432017E-08 15 4.1739292E-07 -8.9749113E-08 16 4.6623959E-07 -9.9121765E-08 17 9.3973672E-07 -2.0151333E-07 18 1.3144783E-06 -2.8050539E-07 19 2.3110563E-06 -4.9460751E-07 20 3.5501064E-06 -7.5879355E-07 21 5.9512454E-06 -1.2726067E-06 22 9.5040202E-06 -2.0325068E-06 23 1.5690174E-05 -3.3545032E-06 24 2.5473356E-05 -5.4486720E-06 25 4.1885970E-05 -8.9558604E-06 26 6.8502377E-05 -1.4654460E-05 27 1.1258554E-04 -2.4079252E-05 28 1.8473842E-04 -3.9532238E-05 29 3.0367915E-04 -6.4986491E-05 30 4.9887697E-04 -1.0683268E-04 31 8.1973797E-04 -1.7563119E-04 32 1.3457279E-03 -2.8866990E-04 33 2.2066412E-03 -4.7400500E-04 34 3.6101083E-03 -7.7734740E-04 35 5.8855213E-03 -1.2714952E-03 36 9.5422001E-03 -2.0720498E-03 37 1.5340129E-02 -3.3557414E-03 38 2.4346824E-02 -5.3847380E-03 39 3.7915815E-02 -8.5197853E-03 40 5.7466116E-02 -1.3213028E-02 41 8.3897198E-02 -1.9940748E-02 42 1.1649031E-01 -2.9076172E-02 43 1.5113254E-01 -4.0668467E-02 44 1.7799017E-01 -5.4015171E-02 45 1.8132121E-01 -6.6495873E-02 46 1.4883149E-01 -7.1528505E-02 47 8.9859447E-02 -5.8127083E-02 48 3.5723227E-02 -1.6671211E-02 49 8.2982681E-03 5.1395418E-02 50 1.2863633E-03 1.3106550E-01 51 4.2802650E-04 2.0161725E-01 52 2.5047422E-04 2.4307389E-01 53 1.4177667E-04 2.3616104E-01 54 7.0400385E-05 1.7416888E-01 55 1.9517178E-05 8.6734563E-02 56 1.6827713E-05 2.4253633E-02 57 -1.0043379E-05 3.1014973E-03 58 9.9013553E-06 5.0307746E-05 59 -6.4529573E-06 4.6997361E-05 60 3.0456972E-06 -1.7341625E-05 61 -9.2816434E-07 3.1078487E-06 62 1.4447100E-07 -3.5932598E-08 *** Small-Component *** 63 -1.4499422E-09 3.1017932E-10 64 1.2030386E-07 -2.5715187E-08 65 -1.5786486E-07 3.3747282E-08 66 3.2460822E-07 -6.9393509E-08 67 -2.3525107E-07 5.0304285E-08 68 4.1425270E-07 -8.8575551E-08 69 -1.4868470E-07 3.1827327E-08 70 4.4977427E-07 -9.6196517E-08 71 4.2178761E-08 -8.9356133E-09 72 5.4139137E-07 -1.1581379E-07 73 3.2938951E-07 -7.0283855E-08 74 7.7955176E-07 -1.6676252E-07 75 7.8096675E-07 -1.6675187E-07 76 1.2788597E-06 -2.7354243E-07 77 1.5469885E-06 -3.3041354E-07 78 2.2375600E-06 -4.7853130E-07 79 2.9034820E-06 -6.2026237E-07 80 4.0191118E-06 -8.5942736E-07 81 5.3502362E-06 -1.1431200E-06 82 7.2904478E-06 -1.5588083E-06 83 9.7947060E-06 -2.0929683E-06 84 1.3271070E-05 -2.8374074E-06 85 1.7888031E-05 -3.8228530E-06 86 2.4185710E-05 -5.1710296E-06 87 3.2635334E-05 -6.9756514E-06 88 4.4084851E-05 -9.4265712E-06 89 5.9497977E-05 -1.2720958E-05 90 8.0320174E-05 -1.7180146E-05 91 1.0836013E-04 -2.3180571E-05 92 1.4614783E-04 -3.1284122E-05 93 1.9693898E-04 -4.2179105E-05 94 2.6511816E-04 -5.6847745E-05 95 3.5628103E-04 -7.6503994E-05 96 4.7762565E-04 -1.0280579E-04 97 6.3785498E-04 -1.3775135E-04 98 8.4700818E-04 -1.8385817E-04 99 1.1150305E-03 -2.4383507E-04 100 1.4489924E-03 -3.2036356E-04 101 1.8473729E-03 -4.1497546E-04 102 2.2920154E-03 -5.2683627E-04 103 2.7389636E-03 -6.5080719E-04 104 3.1126893E-03 -7.7671544E-04 105 3.3051282E-03 -8.8913579E-04 106 3.1856444E-03 -9.6649188E-04 107 2.6558754E-03 -9.7372011E-04 108 1.7840330E-03 -8.5718124E-04 109 8.8147185E-04 -5.7006006E-04 110 2.8676700E-04 -1.3382266E-04 111 5.4509904E-05 3.3749807E-04 112 6.9162490E-06 7.0433844E-04 113 1.8808143E-06 8.8665164E-04 114 9.0344624E-07 8.7475884E-04 115 4.1575548E-07 6.9548194E-04 116 1.7121274E-07 4.1973005E-04 117 3.7333911E-08 1.7104910E-04 118 2.7848781E-08 3.9139851E-05 119 -1.3493390E-08 4.0960087E-06 120 1.0631878E-08 5.4533469E-08 121 -5.5471635E-09 4.1319121E-08 122 2.0920223E-09 -1.2388645E-08 123 -5.1306937E-10 1.7858970E-09 124 6.7665631E-11 -1.2150003E-11 2P- -4.0693057E-01 ------------ *** Large-Component *** 1 -2.6339817E-11 2 3.9116205E-10 3 -6.3722486E-10 4 1.2651068E-09 5 -1.2932285E-09 6 1.9766168E-09 7 -1.5233165E-09 8 2.4425110E-09 9 -1.3270170E-09 10 2.8878619E-09 11 -7.2161906E-10 12 3.5852202E-09 13 4.3912025E-10 14 4.8906411E-09 15 2.5457301E-09 16 7.4027951E-09 17 6.4032338E-09 18 1.2269222E-08 19 1.3658123E-08 20 2.1894326E-08 21 2.7941605E-08 22 4.1922364E-08 23 5.8378765E-08 24 8.7733438E-08 25 1.3183320E-07 26 2.0814747E-07 27 3.3944829E-07 28 5.7780149E-07 29 1.0215281E-06 30 1.8694029E-06 31 3.5186309E-06 32 6.7730587E-06 33 1.3243272E-05 34 2.6199575E-05 35 5.2155325E-05 36 1.0416862E-04 37 2.0776763E-04 38 4.1214191E-04 39 8.0820337E-04 40 1.5566980E-03 41 2.9249179E-03 42 5.3363928E-03 43 9.4524507E-03 44 1.6341508E-02 45 2.7691930E-02 46 4.5595069E-02 47 7.1227096E-02 48 1.0292926E-01 49 1.3573411E-01 50 1.6303063E-01 51 1.7822138E-01 52 1.7468241E-01 53 1.4755751E-01 54 1.0010177E-01 55 4.8837471E-02 56 1.4443860E-02 57 2.0068687E-03 58 8.7303977E-05 59 -1.9000283E-06 60 2.9374203E-06 61 -1.4502380E-06 62 3.9161306E-07 *** Small-Component *** 63 2.9647247E-12 64 -6.0329825E-13 65 4.9283390E-12 66 4.2396853E-12 67 4.2626447E-12 68 1.4867114E-11 69 5.8110944E-12 70 3.1637013E-11 71 1.6127470E-11 72 6.0997177E-11 73 4.6986134E-11 74 1.2080568E-10 75 1.2718423E-10 76 2.5611564E-10 77 3.3106181E-10 78 5.8366602E-10 79 8.5374389E-10 80 1.4131789E-09 81 2.2148009E-09 82 3.5787079E-09 83 5.8143360E-09 84 9.3476293E-09 85 1.5461240E-08 86 2.4914627E-08 87 4.1572988E-08 88 6.7367996E-08 89 1.1257438E-07 90 1.8397185E-07 91 3.0663366E-07 92 5.0474687E-07 93 8.3920223E-07 94 1.3869887E-06 95 2.3015152E-06 96 3.8060152E-06 97 6.2959852E-06 98 1.0371253E-05 99 1.7014246E-05 100 2.7662569E-05 101 4.4405792E-05 102 6.9902785E-05 103 1.0728552E-04 104 1.5976431E-04 105 2.3093771E-04 106 3.2568211E-04 107 4.5018932E-04 108 6.0451967E-04 109 7.7020683E-04 110 9.0762352E-04 111 9.7610249E-04 112 9.5598103E-04 113 8.5227463E-04 114 6.8108458E-04 115 4.6925085E-04 116 2.5944876E-04 117 1.0334857E-04 118 2.4765504E-05 119 2.9509214E-06 120 -5.6987915E-08 121 1.3706359E-07 122 -1.2203310E-07 123 7.2553760E-08 124 -3.1595714E-08 2P+ -4.0664193E-01 ------------ *** Large-Component *** 1 3.8556815E-12 2 -1.2249054E-11 3 2.6978573E-11 4 -3.9130898E-11 5 5.2994868E-11 6 -5.0092241E-11 7 5.6651392E-11 8 -2.3369494E-11 9 4.0038590E-11 10 5.5224169E-11 11 3.5340409E-11 12 2.3600713E-10 13 1.4372957E-10 14 7.0848526E-10 15 7.1732589E-10 16 2.1465227E-09 17 3.0190892E-09 18 6.9503934E-09 19 1.1591013E-08 20 2.3729032E-08 21 4.2785612E-08 22 8.3486319E-08 23 1.5555982E-07 24 2.9810844E-07 25 5.6269240E-07 26 1.0716401E-06 27 2.0322062E-06 28 3.8621065E-06 29 7.3318571E-06 30 1.3914572E-05 31 2.6384744E-05 32 4.9937163E-05 33 9.4285614E-05 34 1.7720973E-04 35 3.3089958E-04 36 6.1157875E-04 37 1.1141929E-03 38 1.9912028E-03 39 3.4768010E-03 40 5.9201890E-03 41 9.8490338E-03 42 1.6084411E-02 43 2.5839098E-02 44 4.0514832E-02 45 6.0900023E-02 46 8.6094187E-02 47 1.1311259E-01 48 1.3769817E-01 49 1.5541621E-01 50 1.6191030E-01 51 1.5289779E-01 52 1.2625365E-01 53 8.6041473E-02 54 4.4409911E-02 55 1.5295480E-02 56 2.9188142E-03 57 2.4424317E-04 58 -3.3164056E-06 59 8.2472010E-06 60 -6.1227605E-06 61 2.9871725E-06 62 -6.5786538E-07 *** Small-Component *** 63 5.1050485E-11 64 -1.3252474E-10 65 2.5455211E-10 66 -3.1282879E-10 67 3.9823389E-10 68 -3.4362989E-10 69 4.2937754E-10 70 -2.4052939E-10 71 4.6135872E-10 72 -2.6728977E-11 73 6.3547782E-10 74 3.9814417E-10 75 1.1831723E-09 76 1.3652525E-09 77 2.6413953E-09 78 3.7263033E-09 79 6.3511572E-09 80 9.6181989E-09 81 1.5682199E-08 82 2.4397911E-08 83 3.9096058E-08 84 6.1499952E-08 85 9.7821632E-08 86 1.5461157E-07 87 2.4508408E-07 88 3.8805430E-07 89 6.1421804E-07 90 9.7240329E-07 91 1.5377694E-06 92 2.4311560E-06 93 3.8378551E-06 94 6.0486107E-06 95 9.5052402E-06 96 1.4871447E-05 97 2.3108914E-05 98 3.5545011E-05 99 5.3882895E-05 100 8.0126568E-05 101 1.1640288E-04 102 1.6490755E-04 103 2.2824006E-04 104 3.1009230E-04 105 4.1441548E-04 106 5.4055666E-04 107 6.7593630E-04 108 7.9491373E-04 109 8.6878139E-04 110 8.7979134E-04 111 8.2603318E-04 112 7.1585570E-04 113 5.6234200E-04 114 3.8627118E-04 115 2.1897983E-04 116 9.4020846E-05 117 2.6937507E-05 118 4.2759745E-06 119 2.9775849E-07 120 -3.4583208E-09 121 7.0331715E-09 122 -4.3432014E-09 123 1.7614302E-09 124 -3.2234156E-10 RADIAL MOMENTS Sym Orb S+ 1 6.54187E+01 5.66979E+00 2.68265E-01 9.70805E-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 set27 (62s62p36d36f) 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 = -5.43277218968260E+01 Mass Energy = -5.43277099981759E+01 Kinetic Energy = 1.08718619372211E+02 Potential Energy = -1.08718631270861E+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 1.6540330E+08 1.0000000E+00 1.0000000E+00 3 1.1076215E+08 1.0000000E+00 1.0000000E+00 4 7.4171765E+07 1.0000000E+00 1.0000000E+00 5 4.9669047E+07 1.0000000E+00 1.0000000E+00 6 3.3260827E+07 1.0000000E+00 1.0000000E+00 7 2.2273080E+07 1.0000000E+00 1.0000000E+00 8 1.4915145E+07 1.0000000E+00 1.0000000E+00 9 9.9879120E+06 1.0000000E+00 1.0000000E+00 10 6.6883952E+06 1.0000000E+00 1.0000000E+00 11 4.4788771E+06 1.0000000E+00 1.0000000E+00 12 2.9992755E+06 1.0000000E+00 1.0000000E+00 13 2.0084618E+06 1.0000000E+00 1.0000000E+00 14 1.3449644E+06 1.0000000E+00 1.0000000E+00 15 9.0065408E+05 1.0000000E+00 1.0000000E+00 16 6.0312210E+05 1.0000000E+00 1.0000000E+00 17 4.0388011E+05 1.0000000E+00 1.0000000E+00 18 2.7045791E+05 1.0000000E+00 1.0000000E+00 19 1.8111186E+05 1.0000000E+00 1.0000000E+00 20 1.2128138E+05 1.0000000E+00 1.0000000E+00 21 8.1215952E+04 1.0000000E+00 1.0000000E+00 22 5.4386180E+04 1.0000000E+00 1.0000000E+00 23 3.6419651E+04 1.0000000E+00 1.0000000E+00 24 2.4388382E+04 1.0000000E+00 1.0000000E+00 25 1.6331656E+04 1.0000000E+00 1.0000000E+00 26 1.0936477E+04 1.0000000E+00 1.0000000E+00 27 7.3236006E+03 1.0000000E+00 1.0000000E+00 28 4.9042418E+03 1.0000000E+00 1.0000000E+00 29 3.2841206E+03 1.0000000E+00 1.0000000E+00 30 2.1992080E+03 1.0000000E+00 1.0000000E+00 31 1.4726974E+03 1.0000000E+00 1.0000000E+00 32 9.8619035E+02 1.0000000E+00 1.0000000E+00 33 6.6040137E+02 1.0000000E+00 1.0000000E+00 34 4.4223711E+02 1.0000000E+00 1.0000000E+00 35 2.9614364E+02 1.0000000E+00 1.0000000E+00 36 1.9831229E+02 1.0000000E+00 1.0000000E+00 37 1.3279962E+02 1.0000000E+00 1.0000000E+00 38 8.8929134E+01 1.0000000E+00 1.0000000E+00 39 5.9551305E+01 1.0000000E+00 1.0000000E+00 40 3.9878471E+01 1.0000000E+00 1.0000000E+00 41 2.6704578E+01 1.0000000E+00 1.0000000E+00 42 1.7882694E+01 1.0000000E+00 1.0000000E+00 43 1.1975128E+01 1.0000000E+00 1.0000000E+00 44 8.0191323E+00 1.0000000E+00 1.0000000E+00 45 5.3700039E+00 1.0000000E+00 1.0000000E+00 46 3.5960177E+00 1.0000000E+00 1.0000000E+00 47 2.4080696E+00 1.0000000E+00 1.0000000E+00 48 1.6125614E+00 1.0000000E+00 1.0000000E+00 49 1.0798501E+00 1.0000000E+00 1.0000000E+00 50 7.2312054E-01 1.0000000E+00 1.0000000E+00 51 4.8423694E-01 1.0000000E+00 1.0000000E+00 52 3.2426878E-01 1.0000000E+00 1.0000000E+00 53 2.1714626E-01 1.0000000E+00 1.0000000E+00 54 1.4541177E-01 1.0000000E+00 1.0000000E+00 55 9.7374848E-02 1.0000000E+00 1.0000000E+00 56 6.5206969E-02 1.0000000E+00 1.0000000E+00 57 4.3665781E-02 1.0000000E+00 1.0000000E+00 58 2.9240746E-02 1.0000000E+00 1.0000000E+00 59 1.9581036E-02 1.0000000E+00 1.0000000E+00 60 1.3112421E-02 1.0000000E+00 1.0000000E+00 61 8.7807196E-03 1.0000000E+00 1.0000000E+00 62 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.6590119E+08 1.0000000E+00 1.0000000E+00 3 1.1031345E+08 1.0000000E+00 1.0000000E+00 4 7.3351237E+07 1.0000000E+00 1.0000000E+00 5 4.8773779E+07 1.0000000E+00 1.0000000E+00 6 3.2431375E+07 1.0000000E+00 1.0000000E+00 7 2.1564745E+07 1.0000000E+00 1.0000000E+00 8 1.4339146E+07 1.0000000E+00 1.0000000E+00 9 9.5345951E+06 1.0000000E+00 1.0000000E+00 10 6.3398826E+06 1.0000000E+00 1.0000000E+00 11 4.2156076E+06 1.0000000E+00 1.0000000E+00 12 2.8031036E+06 1.0000000E+00 1.0000000E+00 13 1.8638807E+06 1.0000000E+00 1.0000000E+00 14 1.2393588E+06 1.0000000E+00 1.0000000E+00 15 8.2409264E+05 1.0000000E+00 1.0000000E+00 16 5.4796775E+05 1.0000000E+00 1.0000000E+00 17 3.6436274E+05 1.0000000E+00 1.0000000E+00 18 2.4227741E+05 1.0000000E+00 1.0000000E+00 19 1.6109864E+05 1.0000000E+00 1.0000000E+00 20 1.0712007E+05 1.0000000E+00 1.0000000E+00 21 7.1227846E+04 1.0000000E+00 1.0000000E+00 22 4.7361863E+04 1.0000000E+00 1.0000000E+00 23 3.1492544E+04 1.0000000E+00 1.0000000E+00 24 2.0940483E+04 1.0000000E+00 1.0000000E+00 25 1.3924053E+04 1.0000000E+00 1.0000000E+00 26 9.2585852E+03 1.0000000E+00 1.0000000E+00 27 6.1563541E+03 1.0000000E+00 1.0000000E+00 28 4.0935732E+03 1.0000000E+00 1.0000000E+00 29 2.7219586E+03 1.0000000E+00 1.0000000E+00 30 1.8099246E+03 1.0000000E+00 1.0000000E+00 31 1.2034816E+03 1.0000000E+00 1.0000000E+00 32 8.0023660E+02 1.0000000E+00 1.0000000E+00 33 5.3210504E+02 1.0000000E+00 1.0000000E+00 34 3.5381508E+02 1.0000000E+00 1.0000000E+00 35 2.3526390E+02 1.0000000E+00 1.0000000E+00 36 1.5643512E+02 1.0000000E+00 1.0000000E+00 37 1.0401913E+02 1.0000000E+00 1.0000000E+00 38 6.9165925E+01 1.0000000E+00 1.0000000E+00 39 4.5990820E+01 1.0000000E+00 1.0000000E+00 40 3.0580890E+01 1.0000000E+00 1.0000000E+00 41 2.0334293E+01 1.0000000E+00 1.0000000E+00 42 1.3520976E+01 1.0000000E+00 1.0000000E+00 43 8.9905654E+00 1.0000000E+00 1.0000000E+00 44 5.9781384E+00 1.0000000E+00 1.0000000E+00 45 3.9750714E+00 1.0000000E+00 1.0000000E+00 46 2.6431627E+00 1.0000000E+00 1.0000000E+00 47 1.7575304E+00 1.0000000E+00 1.0000000E+00 48 1.1686429E+00 1.0000000E+00 1.0000000E+00 49 7.7707115E-01 1.0000000E+00 1.0000000E+00 50 5.1670153E-01 1.0000000E+00 1.0000000E+00 51 3.4357275E-01 1.0000000E+00 1.0000000E+00 52 2.2845342E-01 1.0000000E+00 1.0000000E+00 53 1.5190660E-01 1.0000000E+00 1.0000000E+00 54 1.0100796E-01 1.0000000E+00 1.0000000E+00 55 6.7163692E-02 1.0000000E+00 1.0000000E+00 56 4.4659466E-02 1.0000000E+00 1.0000000E+00 57 2.9695626E-02 1.0000000E+00 1.0000000E+00 58 1.9745651E-02 1.0000000E+00 1.0000000E+00 59 1.3129567E-02 1.0000000E+00 1.0000000E+00 60 8.7303042E-03 1.0000000E+00 1.0000000E+00 61 5.8050818E-03 1.0000000E+00 1.0000000E+00 62 3.8600000E-03 1.0000000E+00 1.0000000E+00 P+ 1 2.0100000E+07 1.0000000E+00 1.0000000E+00 2 1.3908851E+07 1.0000000E+00 1.0000000E+00 3 9.6246835E+06 1.0000000E+00 1.0000000E+00 4 6.6601139E+06 1.0000000E+00 1.0000000E+00 5 4.6086832E+06 1.0000000E+00 1.0000000E+00 6 3.1891288E+06 1.0000000E+00 1.0000000E+00 7 2.2068218E+06 1.0000000E+00 1.0000000E+00 8 1.5270824E+06 1.0000000E+00 1.0000000E+00 9 1.0567145E+06 1.0000000E+00 1.0000000E+00 10 7.3122808E+05 1.0000000E+00 1.0000000E+00 11 5.0599714E+05 1.0000000E+00 1.0000000E+00 12 3.5014123E+05 1.0000000E+00 1.0000000E+00 13 2.4229166E+05 1.0000000E+00 1.0000000E+00 14 1.6766162E+05 1.0000000E+00 1.0000000E+00 15 1.1601893E+05 1.0000000E+00 1.0000000E+00 16 8.0283086E+04 1.0000000E+00 1.0000000E+00 17 5.5554502E+04 1.0000000E+00 1.0000000E+00 18 3.8442751E+04 1.0000000E+00 1.0000000E+00 19 2.6601716E+04 1.0000000E+00 1.0000000E+00 20 1.8407926E+04 1.0000000E+00 1.0000000E+00 21 1.2737965E+04 1.0000000E+00 1.0000000E+00 22 8.8144508E+03 1.0000000E+00 1.0000000E+00 23 6.0994470E+03 1.0000000E+00 1.0000000E+00 24 4.2207114E+03 1.0000000E+00 1.0000000E+00 25 2.9206590E+03 1.0000000E+00 1.0000000E+00 26 2.0210454E+03 1.0000000E+00 1.0000000E+00 27 1.3985283E+03 1.0000000E+00 1.0000000E+00 28 9.6775731E+02 1.0000000E+00 1.0000000E+00 29 6.6967126E+02 1.0000000E+00 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1.8366767E-01 -6.7491433E-02 45 1.5739153E-01 -7.3935330E-02 46 1.0102334E-01 -6.2298930E-02 47 4.3814498E-02 -2.2426331E-02 48 1.1507683E-02 4.4996475E-02 49 2.0028548E-03 1.2504104E-01 50 6.1956753E-04 1.9619641E-01 51 3.5866606E-04 2.3865507E-01 52 2.0225120E-04 2.3565774E-01 53 1.0150373E-04 1.8089558E-01 54 4.0321082E-05 9.7437959E-02 55 1.3975043E-05 3.1452329E-02 56 1.1810963E-06 4.9576291E-03 57 1.7218292E-06 2.6744049E-04 58 -1.2470069E-06 4.2285608E-05 59 8.6024981E-07 -2.5881976E-05 60 -4.2149654E-07 1.2608239E-05 61 1.2202594E-07 -3.0037166E-06 62 -1.2663188E-08 3.8096978E-09 *** Small-Component *** 63 -2.1787911E-08 4.8293988E-09 64 2.2294862E-07 -4.9418538E-08 65 -3.0470664E-07 6.7538448E-08 66 5.6487851E-07 -1.2520418E-07 67 -4.3737621E-07 9.6934007E-08 68 6.9772354E-07 -1.5463489E-07 69 -2.9631011E-07 6.5645267E-08 70 7.3216526E-07 -1.6224772E-07 71 7.2063457E-09 -1.6578174E-09 72 8.4889320E-07 -1.8809556E-07 73 4.5093633E-07 -1.0004743E-07 74 1.1873544E-06 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-1.1817040E-03 106 3.2876963E-03 -1.2076489E-03 107 2.3056862E-03 -1.0827089E-03 108 1.2111181E-03 -7.4662416E-04 109 4.2984919E-04 -2.1998970E-04 110 9.2387342E-05 3.6105831E-04 111 1.3157242E-05 8.2114247E-04 112 3.3306486E-06 1.0543661E-03 113 1.5773938E-06 1.0495402E-03 114 7.2817866E-07 8.4807857E-04 115 2.9878015E-07 5.3273053E-04 116 9.7331908E-08 2.3481844E-04 117 2.7467194E-08 6.2027037E-05 118 1.9423502E-09 8.0008307E-06 119 2.2731649E-09 3.5296997E-07 120 -1.3511151E-09 4.5856106E-08 121 7.4983708E-10 -2.2931781E-08 122 -2.8487031E-10 9.0876812E-09 123 5.8238298E-11 -1.7390274E-09 124 -2.3570264E-12 -1.0071729E-11 2P- -5.0888149E-01 ------------ *** Large-Component *** 1 -1.1125559E-10 2 8.8863970E-10 3 -1.4624195E-09 4 2.7383087E-09 5 -2.8679936E-09 6 4.2150952E-09 7 -3.4024717E-09 8 5.1791910E-09 9 -3.1009728E-09 10 6.0939920E-09 11 -2.0276752E-09 12 7.5026134E-09 13 7.2477118E-11 14 1.0100803E-08 15 3.9214192E-09 16 1.5044050E-08 17 1.1028448E-08 18 2.4531854E-08 19 2.4502678E-08 20 4.3153407E-08 21 5.1233490E-08 22 8.1651935E-08 23 1.0858210E-07 24 1.6924222E-07 25 2.4767495E-07 26 3.9860304E-07 27 6.4165475E-07 28 1.1009935E-06 29 1.9359726E-06 30 3.5503611E-06 31 6.6684747E-06 32 1.2830846E-05 33 2.5055494E-05 34 4.9481691E-05 35 9.8289158E-05 36 1.9560457E-04 37 3.8811842E-04 38 7.6375257E-04 39 1.4811091E-03 40 2.8118424E-03 41 5.1985145E-03 42 9.3429641E-03 43 1.6360477E-02 44 2.7940253E-02 45 4.6066201E-02 46 7.1678800E-02 47 1.0282299E-01 48 1.3430368E-01 49 1.5960911E-01 50 1.7302170E-01 51 1.6990702E-01 52 1.4702164E-01 53 1.0602775E-01 54 5.8204390E-02 55 2.1124261E-02 56 4.0947941E-03 57 3.0537168E-04 58 3.7969788E-06 59 3.1874995E-06 60 -2.7387491E-06 61 1.1611970E-06 62 -2.1077587E-07 *** Small-Component *** 63 4.8813089E-12 64 1.2007960E-12 65 8.6711787E-12 66 7.4232419E-12 67 1.6275998E-11 68 1.7490655E-11 69 3.3829604E-11 70 3.7506051E-11 71 7.0449704E-11 72 8.2562860E-11 73 1.4877889E-10 74 1.8809791E-10 75 3.2523925E-10 76 4.4274341E-10 77 7.4289543E-10 78 1.0753125E-09 79 1.7735138E-09 80 2.6887951E-09 81 4.4023153E-09 82 6.8964123E-09 83 1.1277415E-08 84 1.8061769E-08 85 2.9585025E-08 86 4.8080981E-08 87 7.8967720E-08 88 1.2950158E-07 89 2.1338644E-07 90 3.5170048E-07 91 5.8118031E-07 92 9.6045609E-07 93 1.5898337E-06 94 2.6300674E-06 95 4.3527694E-06 96 7.1920220E-06 97 1.1862639E-05 98 1.9479969E-05 99 3.1781104E-05 100 5.1268715E-05 101 8.1377162E-05 102 1.2627089E-04 103 1.9067905E-04 104 2.7971707E-04 105 3.9970139E-04 106 5.5683788E-04 107 7.4889040E-04 108 9.5034864E-04 109 1.1118550E-03 110 1.1842661E-03 111 1.1477785E-03 112 1.0145329E-03 113 8.1250882E-04 114 5.7318230E-04 115 3.3720513E-04 116 1.5076856E-04 117 4.4782502E-05 118 6.8720231E-06 119 6.0554235E-07 120 -2.0936768E-07 121 1.9180655E-07 122 -1.7091738E-07 123 1.0044723E-07 124 -4.3233438E-08 2P+ -5.0818388E-01 ------------ *** Large-Component *** 1 8.4060101E-12 2 -2.7086188E-11 3 6.0041658E-11 4 -8.9933362E-11 5 1.2713276E-10 6 -1.3620803E-10 7 1.7076381E-10 8 -1.3333925E-10 9 2.0147518E-10 10 -5.7409619E-11 11 2.8355710E-10 12 1.8514738E-10 13 6.1531999E-10 14 9.5040492E-10 15 1.8758877E-09 16 3.5147625E-09 17 6.4757043E-09 18 1.2436259E-08 19 2.3043354E-08 20 4.4058247E-08 21 8.2580973E-08 22 1.5717628E-07 23 2.9673838E-07 24 5.6372311E-07 25 1.0681062E-06 26 2.0281041E-06 27 3.8482019E-06 28 7.3043292E-06 29 1.3857896E-05 30 2.6271479E-05 31 4.9740228E-05 32 9.3950611E-05 33 1.7681570E-04 34 3.3080871E-04 35 6.1350541E-04 36 1.1233051E-03 37 2.0216924E-03 38 3.5620814E-03 39 6.1304202E-03 40 1.0311380E-02 41 1.6990720E-02 42 2.7403665E-02 43 4.2844686E-02 44 6.3806248E-02 45 8.8959380E-02 46 1.1497132E-01 47 1.3751835E-01 48 1.5258199E-01 49 1.5686560E-01 50 1.4762953E-01 51 1.2359867E-01 52 8.7701656E-02 53 4.8985868E-02 54 1.9314584E-02 55 4.5828238E-03 56 5.1800483E-04 57 2.1932735E-05 58 -2.3869617E-06 59 3.0698910E-06 60 -2.8611866E-06 61 1.6361364E-06 62 -3.9907669E-07 *** Small-Component *** 63 9.6317627E-11 64 -2.4921158E-10 65 4.7709247E-10 66 -5.8220815E-10 67 7.3685808E-10 68 -6.2523263E-10 69 7.7850260E-10 70 -4.1155941E-10 71 8.1960158E-10 72 1.3347101E-11 73 1.1277629E-09 74 8.4002740E-10 75 2.1399075E-09 76 2.6960550E-09 77 4.8712066E-09 78 7.1930026E-09 79 1.1859153E-08 80 1.8371559E-08 81 2.9481349E-08 82 4.6358175E-08 83 7.3750633E-08 84 1.1654233E-07 85 1.8483110E-07 86 2.9255858E-07 87 4.6336371E-07 88 7.3363224E-07 89 1.1610163E-06 90 1.8369685E-06 91 2.9038598E-06 92 4.5863222E-06 93 7.2312713E-06 94 1.1373806E-05 95 1.7819961E-05 96 2.7753376E-05 97 4.2838220E-05 98 6.5276883E-05 99 9.7762666E-05 100 1.4332966E-04 101 2.0524033E-04 102 2.8721822E-04 103 3.9373863E-04 104 5.2831605E-04 105 6.8716196E-04 106 8.5132315E-04 107 9.8738060E-04 108 1.0615465E-03 109 1.0562410E-03 110 9.7489266E-04 111 8.3374027E-04 112 6.5271832E-04 113 4.5458449E-04 114 2.6832286E-04 115 1.2467174E-04 116 4.0891391E-05 117 8.0710019E-06 118 7.5881396E-07 119 2.6837107E-08 120 -2.5366148E-09 121 2.6829432E-09 122 -2.0625760E-09 123 9.7736032E-10 124 -1.9872800E-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 9.42878E-01 1.44580E+00 2.70442E+00 6.28958E+00 1.76219E+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 set27 (62s62p36d36f) 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 = -7.48249860969279E+01 Mass Energy = -7.48249611843970E+01 Kinetic Energy = 1.49761704118589E+02 Potential Energy = -1.49761729031120E+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 1.6540330E+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 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2.3980939E-07 122 -2.1242409E-07 123 1.2549638E-07 124 -5.4819670E-08 2P+ -6.1537294E-01 ------------ *** Large-Component *** 1 1.5932470E-11 2 -5.1575586E-11 3 1.1442075E-10 4 -1.7292355E-10 5 2.4662504E-10 6 -2.7212699E-10 7 3.4650124E-10 8 -2.9561080E-10 9 4.3569744E-10 10 -2.0417075E-10 11 6.2807159E-10 12 1.6179754E-10 13 1.2696020E-09 14 1.4129143E-09 15 3.5342612E-09 16 5.7406828E-09 17 1.1566891E-08 18 2.0965640E-08 19 4.0163527E-08 20 7.5094144E-08 21 1.4239963E-07 22 2.6875557E-07 23 5.0920058E-07 24 9.6426248E-07 25 1.8282971E-06 26 3.4668243E-06 27 6.5760195E-06 28 1.2470766E-05 29 2.3639376E-05 30 4.4761203E-05 31 8.4603667E-05 32 1.5941940E-04 33 2.9895250E-04 34 5.5643990E-04 35 1.0244556E-03 36 1.8578639E-03 37 3.3053253E-03 38 5.7521567E-03 39 9.7848430E-03 40 1.6280930E-02 41 2.6446173E-02 42 4.1539816E-02 43 6.2053864E-02 44 8.6705780E-02 45 1.1220930E-01 46 1.3427750E-01 47 1.4904227E-01 48 1.5371373E-01 49 1.4635591E-01 50 1.2602959E-01 51 9.4431732E-02 52 5.7936481E-02 53 2.6581134E-02 54 7.9804728E-03 55 1.2930529E-03 56 8.4296755E-05 57 2.1056088E-06 58 -3.9222755E-07 59 4.5285134E-07 60 -5.0062356E-07 61 3.2148950E-07 62 -8.6179958E-08 *** Small-Component *** 63 1.6424844E-10 64 -4.2437132E-10 65 8.1162406E-10 66 -9.8810305E-10 67 1.2485706E-09 68 -1.0535673E-09 69 1.3110920E-09 70 -6.7948464E-10 71 1.3721436E-09 72 5.6017125E-11 73 1.8888224E-09 74 1.4788429E-09 75 3.6070972E-09 76 4.6613741E-09 77 8.2609921E-09 78 1.2356025E-08 79 2.0185433E-08 80 3.1462213E-08 81 5.0274832E-08 82 7.9267528E-08 83 1.2587748E-07 84 1.9910528E-07 85 3.1556793E-07 86 4.9953405E-07 87 7.9105228E-07 88 1.2520136E-06 89 1.9810476E-06 90 3.1325630E-06 91 4.9490773E-06 92 7.8081894E-06 93 1.2293102E-05 94 1.9290829E-05 95 3.0120005E-05 96 4.6671335E-05 97 7.1521747E-05 98 1.0795031E-04 99 1.5982422E-04 100 2.3144236E-04 101 3.2758013E-04 102 4.5349261E-04 103 6.1285892E-04 104 8.0085496E-04 105 9.9526071E-04 106 1.1568701E-03 107 1.2454491E-03 108 1.2398120E-03 109 1.1447595E-03 110 9.8212793E-04 111 7.7788451E-04 112 5.5721980E-04 113 3.4731247E-04 114 1.7725695E-04 115 6.7650670E-05 116 1.6895734E-05 117 2.2772311E-06 118 1.2349508E-07 119 2.5813915E-09 120 -4.1688918E-10 121 3.9677301E-10 122 -3.5916517E-10 123 1.9063349E-10 124 -4.2532947E-11 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 set27 (62s62p36d36f) 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 = -9.95016152840978E+01 Mass Energy = -9.95015697452004E+01 Kinetic Energy = 1.99188109109361E+02 Potential Energy = -1.99188154648258E+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 1.6540330E+08 1.0000000E+00 1.0000000E+00 3 1.1076215E+08 1.0000000E+00 1.0000000E+00 4 7.4171765E+07 1.0000000E+00 1.0000000E+00 5 4.9669047E+07 1.0000000E+00 1.0000000E+00 6 3.3260827E+07 1.0000000E+00 1.0000000E+00 7 2.2273080E+07 1.0000000E+00 1.0000000E+00 8 1.4915145E+07 1.0000000E+00 1.0000000E+00 9 9.9879120E+06 1.0000000E+00 1.0000000E+00 10 6.6883952E+06 1.0000000E+00 1.0000000E+00 11 4.4788771E+06 1.0000000E+00 1.0000000E+00 12 2.9992755E+06 1.0000000E+00 1.0000000E+00 13 2.0084618E+06 1.0000000E+00 1.0000000E+00 14 1.3449644E+06 1.0000000E+00 1.0000000E+00 15 9.0065408E+05 1.0000000E+00 1.0000000E+00 16 6.0312210E+05 1.0000000E+00 1.0000000E+00 17 4.0388011E+05 1.0000000E+00 1.0000000E+00 18 2.7045791E+05 1.0000000E+00 1.0000000E+00 19 1.8111186E+05 1.0000000E+00 1.0000000E+00 20 1.2128138E+05 1.0000000E+00 1.0000000E+00 21 8.1215952E+04 1.0000000E+00 1.0000000E+00 22 5.4386180E+04 1.0000000E+00 1.0000000E+00 23 3.6419651E+04 1.0000000E+00 1.0000000E+00 24 2.4388382E+04 1.0000000E+00 1.0000000E+00 25 1.6331656E+04 1.0000000E+00 1.0000000E+00 26 1.0936477E+04 1.0000000E+00 1.0000000E+00 27 7.3236006E+03 1.0000000E+00 1.0000000E+00 28 4.9042418E+03 1.0000000E+00 1.0000000E+00 29 3.2841206E+03 1.0000000E+00 1.0000000E+00 30 2.1992080E+03 1.0000000E+00 1.0000000E+00 31 1.4726974E+03 1.0000000E+00 1.0000000E+00 32 9.8619035E+02 1.0000000E+00 1.0000000E+00 33 6.6040137E+02 1.0000000E+00 1.0000000E+00 34 4.4223711E+02 1.0000000E+00 1.0000000E+00 35 2.9614364E+02 1.0000000E+00 1.0000000E+00 36 1.9831229E+02 1.0000000E+00 1.0000000E+00 37 1.3279962E+02 1.0000000E+00 1.0000000E+00 38 8.8929134E+01 1.0000000E+00 1.0000000E+00 39 5.9551305E+01 1.0000000E+00 1.0000000E+00 40 3.9878471E+01 1.0000000E+00 1.0000000E+00 41 2.6704578E+01 1.0000000E+00 1.0000000E+00 42 1.7882694E+01 1.0000000E+00 1.0000000E+00 43 1.1975128E+01 1.0000000E+00 1.0000000E+00 44 8.0191323E+00 1.0000000E+00 1.0000000E+00 45 5.3700039E+00 1.0000000E+00 1.0000000E+00 46 3.5960177E+00 1.0000000E+00 1.0000000E+00 47 2.4080696E+00 1.0000000E+00 1.0000000E+00 48 1.6125614E+00 1.0000000E+00 1.0000000E+00 49 1.0798501E+00 1.0000000E+00 1.0000000E+00 50 7.2312054E-01 1.0000000E+00 1.0000000E+00 51 4.8423694E-01 1.0000000E+00 1.0000000E+00 52 3.2426878E-01 1.0000000E+00 1.0000000E+00 53 2.1714626E-01 1.0000000E+00 1.0000000E+00 54 1.4541177E-01 1.0000000E+00 1.0000000E+00 55 9.7374848E-02 1.0000000E+00 1.0000000E+00 56 6.5206969E-02 1.0000000E+00 1.0000000E+00 57 4.3665781E-02 1.0000000E+00 1.0000000E+00 58 2.9240746E-02 1.0000000E+00 1.0000000E+00 59 1.9581036E-02 1.0000000E+00 1.0000000E+00 60 1.3112421E-02 1.0000000E+00 1.0000000E+00 61 8.7807196E-03 1.0000000E+00 1.0000000E+00 62 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.6590119E+08 1.0000000E+00 1.0000000E+00 3 1.1031345E+08 1.0000000E+00 1.0000000E+00 4 7.3351237E+07 1.0000000E+00 1.0000000E+00 5 4.8773779E+07 1.0000000E+00 1.0000000E+00 6 3.2431375E+07 1.0000000E+00 1.0000000E+00 7 2.1564745E+07 1.0000000E+00 1.0000000E+00 8 1.4339146E+07 1.0000000E+00 1.0000000E+00 9 9.5345951E+06 1.0000000E+00 1.0000000E+00 10 6.3398826E+06 1.0000000E+00 1.0000000E+00 11 4.2156076E+06 1.0000000E+00 1.0000000E+00 12 2.8031036E+06 1.0000000E+00 1.0000000E+00 13 1.8638807E+06 1.0000000E+00 1.0000000E+00 14 1.2393588E+06 1.0000000E+00 1.0000000E+00 15 8.2409264E+05 1.0000000E+00 1.0000000E+00 16 5.4796775E+05 1.0000000E+00 1.0000000E+00 17 3.6436274E+05 1.0000000E+00 1.0000000E+00 18 2.4227741E+05 1.0000000E+00 1.0000000E+00 19 1.6109864E+05 1.0000000E+00 1.0000000E+00 20 1.0712007E+05 1.0000000E+00 1.0000000E+00 21 7.1227846E+04 1.0000000E+00 1.0000000E+00 22 4.7361863E+04 1.0000000E+00 1.0000000E+00 23 3.1492544E+04 1.0000000E+00 1.0000000E+00 24 2.0940483E+04 1.0000000E+00 1.0000000E+00 25 1.3924053E+04 1.0000000E+00 1.0000000E+00 26 9.2585852E+03 1.0000000E+00 1.0000000E+00 27 6.1563541E+03 1.0000000E+00 1.0000000E+00 28 4.0935732E+03 1.0000000E+00 1.0000000E+00 29 2.7219586E+03 1.0000000E+00 1.0000000E+00 30 1.8099246E+03 1.0000000E+00 1.0000000E+00 31 1.2034816E+03 1.0000000E+00 1.0000000E+00 32 8.0023660E+02 1.0000000E+00 1.0000000E+00 33 5.3210504E+02 1.0000000E+00 1.0000000E+00 34 3.5381508E+02 1.0000000E+00 1.0000000E+00 35 2.3526390E+02 1.0000000E+00 1.0000000E+00 36 1.5643512E+02 1.0000000E+00 1.0000000E+00 37 1.0401913E+02 1.0000000E+00 1.0000000E+00 38 6.9165925E+01 1.0000000E+00 1.0000000E+00 39 4.5990820E+01 1.0000000E+00 1.0000000E+00 40 3.0580890E+01 1.0000000E+00 1.0000000E+00 41 2.0334293E+01 1.0000000E+00 1.0000000E+00 42 1.3520976E+01 1.0000000E+00 1.0000000E+00 43 8.9905654E+00 1.0000000E+00 1.0000000E+00 44 5.9781384E+00 1.0000000E+00 1.0000000E+00 45 3.9750714E+00 1.0000000E+00 1.0000000E+00 46 2.6431627E+00 1.0000000E+00 1.0000000E+00 47 1.7575304E+00 1.0000000E+00 1.0000000E+00 48 1.1686429E+00 1.0000000E+00 1.0000000E+00 49 7.7707115E-01 1.0000000E+00 1.0000000E+00 50 5.1670153E-01 1.0000000E+00 1.0000000E+00 51 3.4357275E-01 1.0000000E+00 1.0000000E+00 52 2.2845342E-01 1.0000000E+00 1.0000000E+00 53 1.5190660E-01 1.0000000E+00 1.0000000E+00 54 1.0100796E-01 1.0000000E+00 1.0000000E+00 55 6.7163692E-02 1.0000000E+00 1.0000000E+00 56 4.4659466E-02 1.0000000E+00 1.0000000E+00 57 2.9695626E-02 1.0000000E+00 1.0000000E+00 58 1.9745651E-02 1.0000000E+00 1.0000000E+00 59 1.3129567E-02 1.0000000E+00 1.0000000E+00 60 8.7303042E-03 1.0000000E+00 1.0000000E+00 61 5.8050818E-03 1.0000000E+00 1.0000000E+00 62 3.8600000E-03 1.0000000E+00 1.0000000E+00 P+ 1 2.0100000E+07 1.0000000E+00 1.0000000E+00 2 1.3908851E+07 1.0000000E+00 1.0000000E+00 3 9.6246835E+06 1.0000000E+00 1.0000000E+00 4 6.6601139E+06 1.0000000E+00 1.0000000E+00 5 4.6086832E+06 1.0000000E+00 1.0000000E+00 6 3.1891288E+06 1.0000000E+00 1.0000000E+00 7 2.2068218E+06 1.0000000E+00 1.0000000E+00 8 1.5270824E+06 1.0000000E+00 1.0000000E+00 9 1.0567145E+06 1.0000000E+00 1.0000000E+00 10 7.3122808E+05 1.0000000E+00 1.0000000E+00 11 5.0599714E+05 1.0000000E+00 1.0000000E+00 12 3.5014123E+05 1.0000000E+00 1.0000000E+00 13 2.4229166E+05 1.0000000E+00 1.0000000E+00 14 1.6766162E+05 1.0000000E+00 1.0000000E+00 15 1.1601893E+05 1.0000000E+00 1.0000000E+00 16 8.0283086E+04 1.0000000E+00 1.0000000E+00 17 5.5554502E+04 1.0000000E+00 1.0000000E+00 18 3.8442751E+04 1.0000000E+00 1.0000000E+00 19 2.6601716E+04 1.0000000E+00 1.0000000E+00 20 1.8407926E+04 1.0000000E+00 1.0000000E+00 21 1.2737965E+04 1.0000000E+00 1.0000000E+00 22 8.8144508E+03 1.0000000E+00 1.0000000E+00 23 6.0994470E+03 1.0000000E+00 1.0000000E+00 24 4.2207114E+03 1.0000000E+00 1.0000000E+00 25 2.9206590E+03 1.0000000E+00 1.0000000E+00 26 2.0210454E+03 1.0000000E+00 1.0000000E+00 27 1.3985283E+03 1.0000000E+00 1.0000000E+00 28 9.6775731E+02 1.0000000E+00 1.0000000E+00 29 6.6967126E+02 1.0000000E+00 1.0000000E+00 30 4.6340089E+02 1.0000000E+00 1.0000000E+00 31 3.2066537E+02 1.0000000E+00 1.0000000E+00 32 2.2189487E+02 1.0000000E+00 1.0000000E+00 33 1.5354740E+02 1.0000000E+00 1.0000000E+00 34 1.0625213E+02 1.0000000E+00 1.0000000E+00 35 7.3524632E+01 1.0000000E+00 1.0000000E+00 36 5.0877769E+01 1.0000000E+00 1.0000000E+00 37 3.5206533E+01 1.0000000E+00 1.0000000E+00 38 2.4362310E+01 1.0000000E+00 1.0000000E+00 39 1.6858295E+01 1.0000000E+00 1.0000000E+00 40 1.1665648E+01 1.0000000E+00 1.0000000E+00 41 8.0724258E+00 1.0000000E+00 1.0000000E+00 42 5.5859785E+00 1.0000000E+00 1.0000000E+00 43 3.8654002E+00 1.0000000E+00 1.0000000E+00 44 2.6747898E+00 1.0000000E+00 1.0000000E+00 45 1.8509081E+00 1.0000000E+00 1.0000000E+00 46 1.2807963E+00 1.0000000E+00 1.0000000E+00 47 8.8628880E-01 1.0000000E+00 1.0000000E+00 48 6.1329646E-01 1.0000000E+00 1.0000000E+00 49 4.2439051E-01 1.0000000E+00 1.0000000E+00 50 2.9367086E-01 1.0000000E+00 1.0000000E+00 51 2.0321514E-01 1.0000000E+00 1.0000000E+00 52 1.4062135E-01 1.0000000E+00 1.0000000E+00 53 9.7307533E-02 1.0000000E+00 1.0000000E+00 54 6.7335124E-02 1.0000000E+00 1.0000000E+00 55 4.6594737E-02 1.0000000E+00 1.0000000E+00 56 3.2242749E-02 1.0000000E+00 1.0000000E+00 57 2.2311423E-02 1.0000000E+00 1.0000000E+00 58 1.5439117E-02 1.0000000E+00 1.0000000E+00 59 1.0683601E-02 1.0000000E+00 1.0000000E+00 60 7.3928665E-03 1.0000000E+00 1.0000000E+00 61 5.1157353E-03 1.0000000E+00 1.0000000E+00 62 3.5400000E-03 1.0000000E+00 1.0000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ -2.6411746E+01 -1.5759827E+00 ------------ ------------ *** Large-Component *** 1 1.1128040E-08 -2.5798182E-09 2 1.5052402E-09 -3.5075404E-10 3 4.3537292E-10 -9.7185896E-11 4 4.0486844E-08 -9.3954718E-09 5 -2.7368851E-08 6.3588840E-09 6 8.9976903E-08 -2.0886823E-08 7 -3.3413080E-08 7.7815603E-09 8 1.4032351E-07 -3.2594011E-08 9 1.1077875E-09 -1.8776633E-10 10 2.1709492E-07 -5.0449975E-08 11 1.0417711E-07 -2.4042337E-08 12 3.8073806E-07 -8.8479121E-08 13 3.5680772E-07 -8.2580769E-08 14 7.7212081E-07 -1.7936952E-07 15 9.7679442E-07 -2.2634686E-07 16 1.7478407E-06 -4.0584809E-07 17 2.5373132E-06 -5.8840933E-07 18 4.2407766E-06 -9.8434057E-07 19 6.5550191E-06 -1.5208277E-06 20 1.0726164E-05 -2.4893026E-06 21 1.7074823E-05 -3.9625228E-06 22 2.7825454E-05 -6.4578526E-06 23 4.4948227E-05 -1.0433056E-05 24 7.3338936E-05 -1.7023899E-05 25 1.1939091E-04 -2.7719962E-05 26 1.9523149E-04 -4.5336689E-05 27 3.1913926E-04 -7.4140086E-05 28 5.2267593E-04 -1.2148124E-04 29 8.5584113E-04 -1.9907584E-04 30 1.4017027E-03 -3.2640706E-04 31 2.2932221E-03 -5.3492990E-04 32 3.7455645E-03 -8.7589130E-04 33 6.0978668E-03 -1.4313546E-03 34 9.8774359E-03 -2.3314184E-03 35 1.5871534E-02 -3.7772654E-03 36 2.5194303E-02 -6.0690793E-03 37 3.9270498E-02 -9.6295204E-03 38 5.9614253E-02 -1.5001082E-02 39 8.7181238E-02 -2.2781673E-02 40 1.2106077E-01 -3.3449488E-02 41 1.5629449E-01 -4.6993386E-02 42 1.8141544E-01 -6.2080886E-02 43 1.7971896E-01 -7.4349292E-02 44 1.4148146E-01 -7.4597852E-02 45 8.1085965E-02 -5.0774500E-02 46 3.0581288E-02 3.4053760E-03 47 7.1026718E-03 7.9978459E-02 48 1.4897842E-03 1.5880874E-01 49 6.6819754E-04 2.1784658E-01 50 3.9169449E-04 2.3987887E-01 51 2.0963887E-04 2.1446986E-01 52 1.0430990E-04 1.4705430E-01 53 3.6421034E-05 6.9297838E-02 54 1.7089013E-05 1.9218462E-02 55 -3.1244166E-06 2.6141757E-03 56 5.7055958E-06 1.7131279E-04 57 -4.3878581E-06 1.1905076E-07 58 2.8931680E-06 1.0972268E-06 59 -1.5493797E-06 1.0584703E-06 60 6.7655464E-07 -1.1816224E-06 61 -2.2453504E-07 5.2152003E-07 62 4.2117970E-08 -8.9325406E-08 *** Small-Component *** 63 -1.0048155E-07 2.3295632E-08 64 5.3458799E-07 -1.2393875E-07 65 -7.4105057E-07 1.7180309E-07 66 1.2468759E-06 -2.8907057E-07 67 -1.0080350E-06 2.3369160E-07 68 1.4833415E-06 -3.4388074E-07 69 -7.0481345E-07 1.6337742E-07 70 1.5090371E-06 -3.4982164E-07 71 -8.6810544E-08 2.0079910E-08 72 1.6949098E-06 -3.9289457E-07 73 7.8940468E-07 -1.8308720E-07 74 2.3118385E-06 -5.3589949E-07 75 2.1105424E-06 -4.8941477E-07 76 3.6818994E-06 -8.5350704E-07 77 4.3027424E-06 -9.9770677E-07 78 6.3589377E-06 -1.4741284E-06 79 8.1473566E-06 -1.8891351E-06 80 1.1361686E-05 -2.6339772E-06 81 1.5053747E-05 -3.4905264E-06 82 2.0562432E-05 -4.7672570E-06 83 2.7574694E-05 -6.3940042E-06 84 3.7384379E-05 -8.6681434E-06 85 5.0345877E-05 -1.1675409E-05 86 6.8063634E-05 -1.5784586E-05 87 9.1782078E-05 -2.1289997E-05 88 1.2391761E-04 -2.8749125E-05 89 1.6710211E-04 -3.8783540E-05 90 2.2534719E-04 -5.2326521E-05 91 3.0357242E-04 -7.0547500E-05 92 4.0859118E-04 -9.5058387E-05 93 5.4897371E-04 -1.2793900E-04 94 7.3584536E-04 -1.7192012E-04 95 9.8264729E-04 -2.3045141E-04 96 1.3050030E-03 -3.0775813E-04 97 1.7186285E-03 -4.0866870E-04 98 2.2352399E-03 -5.3800658E-04 99 2.8538972E-03 -6.9925034E-04 100 3.5479481E-03 -8.9211380E-04 101 4.2484334E-03 -1.1093707E-03 102 4.8297614E-03 -1.3335485E-03 103 5.1042890E-03 -1.5336784E-03 104 4.8495311E-03 -1.6584207E-03 105 3.9320873E-03 -1.6256517E-03 106 2.5334119E-03 -1.3349754E-03 107 1.1882394E-03 -7.4369787E-04 108 3.6673329E-04 4.0674892E-05 109 6.9698318E-05 7.8425227E-04 110 1.1962246E-05 1.2744395E-03 111 4.3896812E-06 1.4306434E-03 112 2.1054039E-06 1.2891449E-03 113 9.2284168E-07 9.4319752E-04 114 3.7451318E-07 5.2922376E-04 115 1.0846172E-07 2.0408301E-04 116 3.9858485E-08 4.6315471E-05 117 -4.7478630E-09 5.1558559E-06 118 7.8105482E-09 2.7607729E-07 119 -4.5564302E-09 5.1291059E-10 120 2.1865782E-09 9.1258222E-10 121 -7.7489397E-10 1.1093608E-09 122 1.9157211E-10 -9.4143882E-10 123 -3.1004833E-11 3.3791606E-10 124 3.8972938E-12 -4.7793703E-11 2P- 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2.7038753E-04 57 -7.9512107E-07 58 1.1297720E-05 59 -1.3966869E-05 60 1.2064010E-05 61 -6.4587025E-06 62 1.6112719E-06 *** Small-Component *** 63 6.0285690E-12 64 2.5958146E-11 65 -6.5865899E-12 66 6.8472181E-11 67 3.9166943E-12 68 1.1091098E-10 69 5.5904008E-11 70 1.7932810E-10 71 1.6954077E-10 72 3.2493559E-10 73 4.0907897E-10 74 6.5332491E-10 75 9.3952901E-10 76 1.4183371E-09 77 2.1738023E-09 78 3.2640475E-09 79 5.1679774E-09 80 7.8686450E-09 81 1.2685435E-08 82 1.9685482E-08 83 3.2085688E-08 84 5.0683185E-08 85 8.3203701E-08 86 1.3335627E-07 87 2.1996906E-07 88 3.5644458E-07 89 5.8956939E-07 90 9.6342378E-07 91 1.5948086E-06 92 2.6213658E-06 93 4.3376861E-06 94 7.1481542E-06 95 1.1804187E-05 96 1.9416173E-05 97 3.1853015E-05 98 5.1864673E-05 99 8.3590016E-05 100 1.3255080E-04 101 2.0577921E-04 102 3.1130266E-04 103 4.5819388E-04 104 6.5524083E-04 105 9.0407284E-04 106 1.1818843E-03 107 1.4309896E-03 108 1.5786806E-03 109 1.5806410E-03 110 1.4420772E-03 111 1.2040971E-03 112 9.1393387E-04 113 6.1476069E-04 114 3.4718413E-04 115 1.5139468E-04 116 4.4133571E-05 117 7.3340542E-06 118 1.6605137E-07 119 2.8014931E-07 120 -3.2789647E-07 121 2.8790404E-07 122 -2.5965404E-07 123 1.5471614E-07 124 -6.7804061E-08 2P+ -7.2866279E-01 ------------ *** Large-Component *** 1 -2.7544281E-11 2 8.9247054E-11 3 -1.9777376E-10 4 2.9916861E-10 5 -4.2589877E-10 6 4.7121994E-10 7 -5.9709344E-10 8 5.1444297E-10 9 -7.4599839E-10 10 3.6676924E-10 11 -1.0585570E-09 12 -2.2673210E-10 13 -2.0924378E-09 14 -2.2441513E-09 15 -5.7283089E-09 16 -9.1892244E-09 17 -1.8586062E-08 18 -3.3539076E-08 19 -6.4250529E-08 20 -1.1990179E-07 21 -2.2720056E-07 22 -4.2834972E-07 23 -8.1096672E-07 24 -1.5345632E-06 25 -2.9076365E-06 26 -5.5098005E-06 27 -1.0443721E-05 28 -1.9789594E-05 29 -3.7474758E-05 30 -7.0864020E-05 31 -1.3368829E-04 32 -2.5122737E-04 33 -4.6926094E-04 34 -8.6857375E-04 35 -1.5871203E-03 36 -2.8513276E-03 37 -5.0191000E-03 38 -8.6404447E-03 39 -1.4539575E-02 40 -2.3862901E-02 41 -3.7879133E-02 42 -5.7267323E-02 43 -8.1098645E-02 44 -1.0640436E-01 45 -1.2898123E-01 46 -1.4488302E-01 47 -1.5137775E-01 48 -1.4689047E-01 49 -1.3068449E-01 50 -1.0357612E-01 51 -6.9684229E-02 52 -3.6981971E-02 53 -1.3886508E-02 54 -3.1515509E-03 55 -3.4019971E-04 56 -1.5483015E-05 57 2.3116381E-06 58 -2.1840864E-06 59 1.9718934E-06 60 -1.4830379E-06 61 7.0761202E-07 62 -1.4594016E-07 *** Small-Component *** 63 -2.6023522E-10 64 6.7171739E-10 65 -1.2847290E-09 66 1.5631965E-09 67 -1.9759610E-09 68 1.6658101E-09 69 -2.0752472E-09 70 1.0722765E-09 71 -2.1733506E-09 72 -9.5015142E-11 73 -2.9949839E-09 74 -2.3545448E-09 75 -5.7243441E-09 76 -7.4097108E-09 77 -1.3114819E-08 78 -1.9631446E-08 79 -3.2049186E-08 80 -4.9974621E-08 81 -7.9822647E-08 82 -1.2588318E-07 83 -1.9984205E-07 84 -3.1612869E-07 85 -5.0090797E-07 86 -7.9290633E-07 87 -1.2552658E-06 88 -1.9863646E-06 89 -3.1416781E-06 90 -4.9654134E-06 91 -7.8385304E-06 92 -1.2352985E-05 93 -1.9414738E-05 94 -3.0387959E-05 95 -4.7264812E-05 96 -7.2836120E-05 97 -1.1078761E-04 98 -1.6565926E-04 99 -2.4267724E-04 100 -3.4764421E-04 101 -4.8675496E-04 102 -6.6468411E-04 103 -8.7781485E-04 104 -1.1040868E-03 105 -1.3007334E-03 106 -1.4197151E-03 107 -1.4316189E-03 108 -1.3377435E-03 109 -1.1627036E-03 110 -9.3853577E-04 111 -6.9459325E-04 112 -4.5794704E-04 113 -2.5629389E-04 114 -1.1314703E-04 115 -3.5341996E-05 116 -6.6724591E-06 117 -5.9896565E-07 118 -2.2822394E-08 119 2.9180764E-09 120 -2.2821598E-09 121 1.7049212E-09 122 -1.0624061E-09 123 4.2119341E-10 124 -7.2355259E-11 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 1.53941E+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 set27 (62s62p36d36f) 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 = -1.28691930538632E+02 Mass Energy = -1.28691853177020E+02 Kinetic Energy = 2.57674207134500E+02 Potential Energy = -2.57674284496112E+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 1.6540330E+08 1.0000000E+00 1.0000000E+00 3 1.1076215E+08 1.0000000E+00 1.0000000E+00 4 7.4171765E+07 1.0000000E+00 1.0000000E+00 5 4.9669047E+07 1.0000000E+00 1.0000000E+00 6 3.3260827E+07 1.0000000E+00 1.0000000E+00 7 2.2273080E+07 1.0000000E+00 1.0000000E+00 8 1.4915145E+07 1.0000000E+00 1.0000000E+00 9 9.9879120E+06 1.0000000E+00 1.0000000E+00 10 6.6883952E+06 1.0000000E+00 1.0000000E+00 11 4.4788771E+06 1.0000000E+00 1.0000000E+00 12 2.9992755E+06 1.0000000E+00 1.0000000E+00 13 2.0084618E+06 1.0000000E+00 1.0000000E+00 14 1.3449644E+06 1.0000000E+00 1.0000000E+00 15 9.0065408E+05 1.0000000E+00 1.0000000E+00 16 6.0312210E+05 1.0000000E+00 1.0000000E+00 17 4.0388011E+05 1.0000000E+00 1.0000000E+00 18 2.7045791E+05 1.0000000E+00 1.0000000E+00 19 1.8111186E+05 1.0000000E+00 1.0000000E+00 20 1.2128138E+05 1.0000000E+00 1.0000000E+00 21 8.1215952E+04 1.0000000E+00 1.0000000E+00 22 5.4386180E+04 1.0000000E+00 1.0000000E+00 23 3.6419651E+04 1.0000000E+00 1.0000000E+00 24 2.4388382E+04 1.0000000E+00 1.0000000E+00 25 1.6331656E+04 1.0000000E+00 1.0000000E+00 26 1.0936477E+04 1.0000000E+00 1.0000000E+00 27 7.3236006E+03 1.0000000E+00 1.0000000E+00 28 4.9042418E+03 1.0000000E+00 1.0000000E+00 29 3.2841206E+03 1.0000000E+00 1.0000000E+00 30 2.1992080E+03 1.0000000E+00 1.0000000E+00 31 1.4726974E+03 1.0000000E+00 1.0000000E+00 32 9.8619035E+02 1.0000000E+00 1.0000000E+00 33 6.6040137E+02 1.0000000E+00 1.0000000E+00 34 4.4223711E+02 1.0000000E+00 1.0000000E+00 35 2.9614364E+02 1.0000000E+00 1.0000000E+00 36 1.9831229E+02 1.0000000E+00 1.0000000E+00 37 1.3279962E+02 1.0000000E+00 1.0000000E+00 38 8.8929134E+01 1.0000000E+00 1.0000000E+00 39 5.9551305E+01 1.0000000E+00 1.0000000E+00 40 3.9878471E+01 1.0000000E+00 1.0000000E+00 41 2.6704578E+01 1.0000000E+00 1.0000000E+00 42 1.7882694E+01 1.0000000E+00 1.0000000E+00 43 1.1975128E+01 1.0000000E+00 1.0000000E+00 44 8.0191323E+00 1.0000000E+00 1.0000000E+00 45 5.3700039E+00 1.0000000E+00 1.0000000E+00 46 3.5960177E+00 1.0000000E+00 1.0000000E+00 47 2.4080696E+00 1.0000000E+00 1.0000000E+00 48 1.6125614E+00 1.0000000E+00 1.0000000E+00 49 1.0798501E+00 1.0000000E+00 1.0000000E+00 50 7.2312054E-01 1.0000000E+00 1.0000000E+00 51 4.8423694E-01 1.0000000E+00 1.0000000E+00 52 3.2426878E-01 1.0000000E+00 1.0000000E+00 53 2.1714626E-01 1.0000000E+00 1.0000000E+00 54 1.4541177E-01 1.0000000E+00 1.0000000E+00 55 9.7374848E-02 1.0000000E+00 1.0000000E+00 56 6.5206969E-02 1.0000000E+00 1.0000000E+00 57 4.3665781E-02 1.0000000E+00 1.0000000E+00 58 2.9240746E-02 1.0000000E+00 1.0000000E+00 59 1.9581036E-02 1.0000000E+00 1.0000000E+00 60 1.3112421E-02 1.0000000E+00 1.0000000E+00 61 8.7807196E-03 1.0000000E+00 1.0000000E+00 62 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.6590119E+08 1.0000000E+00 1.0000000E+00 3 1.1031345E+08 1.0000000E+00 1.0000000E+00 4 7.3351237E+07 1.0000000E+00 1.0000000E+00 5 4.8773779E+07 1.0000000E+00 1.0000000E+00 6 3.2431375E+07 1.0000000E+00 1.0000000E+00 7 2.1564745E+07 1.0000000E+00 1.0000000E+00 8 1.4339146E+07 1.0000000E+00 1.0000000E+00 9 9.5345951E+06 1.0000000E+00 1.0000000E+00 10 6.3398826E+06 1.0000000E+00 1.0000000E+00 11 4.2156076E+06 1.0000000E+00 1.0000000E+00 12 2.8031036E+06 1.0000000E+00 1.0000000E+00 13 1.8638807E+06 1.0000000E+00 1.0000000E+00 14 1.2393588E+06 1.0000000E+00 1.0000000E+00 15 8.2409264E+05 1.0000000E+00 1.0000000E+00 16 5.4796775E+05 1.0000000E+00 1.0000000E+00 17 3.6436274E+05 1.0000000E+00 1.0000000E+00 18 2.4227741E+05 1.0000000E+00 1.0000000E+00 19 1.6109864E+05 1.0000000E+00 1.0000000E+00 20 1.0712007E+05 1.0000000E+00 1.0000000E+00 21 7.1227846E+04 1.0000000E+00 1.0000000E+00 22 4.7361863E+04 1.0000000E+00 1.0000000E+00 23 3.1492544E+04 1.0000000E+00 1.0000000E+00 24 2.0940483E+04 1.0000000E+00 1.0000000E+00 25 1.3924053E+04 1.0000000E+00 1.0000000E+00 26 9.2585852E+03 1.0000000E+00 1.0000000E+00 27 6.1563541E+03 1.0000000E+00 1.0000000E+00 28 4.0935732E+03 1.0000000E+00 1.0000000E+00 29 2.7219586E+03 1.0000000E+00 1.0000000E+00 30 1.8099246E+03 1.0000000E+00 1.0000000E+00 31 1.2034816E+03 1.0000000E+00 1.0000000E+00 32 8.0023660E+02 1.0000000E+00 1.0000000E+00 33 5.3210504E+02 1.0000000E+00 1.0000000E+00 34 3.5381508E+02 1.0000000E+00 1.0000000E+00 35 2.3526390E+02 1.0000000E+00 1.0000000E+00 36 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1.9745651E-02 1.0000000E+00 1.0000000E+00 59 1.3129567E-02 1.0000000E+00 1.0000000E+00 60 8.7303042E-03 1.0000000E+00 1.0000000E+00 61 5.8050818E-03 1.0000000E+00 1.0000000E+00 62 3.8600000E-03 1.0000000E+00 1.0000000E+00 P+ 1 2.0100000E+07 1.0000000E+00 1.0000000E+00 2 1.3908851E+07 1.0000000E+00 1.0000000E+00 3 9.6246835E+06 1.0000000E+00 1.0000000E+00 4 6.6601139E+06 1.0000000E+00 1.0000000E+00 5 4.6086832E+06 1.0000000E+00 1.0000000E+00 6 3.1891288E+06 1.0000000E+00 1.0000000E+00 7 2.2068218E+06 1.0000000E+00 1.0000000E+00 8 1.5270824E+06 1.0000000E+00 1.0000000E+00 9 1.0567145E+06 1.0000000E+00 1.0000000E+00 10 7.3122808E+05 1.0000000E+00 1.0000000E+00 11 5.0599714E+05 1.0000000E+00 1.0000000E+00 12 3.5014123E+05 1.0000000E+00 1.0000000E+00 13 2.4229166E+05 1.0000000E+00 1.0000000E+00 14 1.6766162E+05 1.0000000E+00 1.0000000E+00 15 1.1601893E+05 1.0000000E+00 1.0000000E+00 16 8.0283086E+04 1.0000000E+00 1.0000000E+00 17 5.5554502E+04 1.0000000E+00 1.0000000E+00 18 3.8442751E+04 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