*************************************************************************************************** Na [Ne]3s(1) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 11.0 Atomic Mass = 23.0 Nuclear Radius = 7.190731E-05 Speed of Light = 137.0359955 S+ P- P+ Number of Closed Shells 2 1 1 Open Shells 1 0 0 Conf Weight Open Shell Occupation Numbers 1 1.00000000 1.0 0.0 0.0 0.0 0.0 0.0 0.0 ENERGIES Total Energy = -1.62078087812701E+02 Mass Energy = -1.62077965377362E+02 Kinetic Energy = 3.24595790384222E+02 Potential Energy = -3.24595912819560E+02 NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 2.4700000E+08 1.0000000E+00 1.0000000E+00 2 1.3984373E+08 1.0000000E+00 1.0000000E+00 3 7.9175181E+07 1.0000000E+00 1.0000000E+00 4 4.4826530E+07 1.0000000E+00 1.0000000E+00 5 2.5379390E+07 1.0000000E+00 1.0000000E+00 6 1.4369023E+07 1.0000000E+00 1.0000000E+00 7 8.1352946E+06 1.0000000E+00 1.0000000E+00 8 4.6059513E+06 1.0000000E+00 1.0000000E+00 9 2.6077466E+06 1.0000000E+00 1.0000000E+00 10 1.4764252E+06 1.0000000E+00 1.0000000E+00 11 8.3590612E+05 1.0000000E+00 1.0000000E+00 12 4.7326410E+05 1.0000000E+00 1.0000000E+00 13 2.6794744E+05 1.0000000E+00 1.0000000E+00 14 1.5170352E+05 1.0000000E+00 1.0000000E+00 15 8.5889827E+04 1.0000000E+00 1.0000000E+00 16 4.8628154E+04 1.0000000E+00 1.0000000E+00 17 2.7531751E+04 1.0000000E+00 1.0000000E+00 18 1.5587623E+04 1.0000000E+00 1.0000000E+00 19 8.8252283E+03 1.0000000E+00 1.0000000E+00 20 4.9965703E+03 1.0000000E+00 1.0000000E+00 21 2.8289030E+03 1.0000000E+00 1.0000000E+00 22 1.6016371E+03 1.0000000E+00 1.0000000E+00 23 9.0679719E+02 1.0000000E+00 1.0000000E+00 24 5.1340042E+02 1.0000000E+00 1.0000000E+00 25 2.9067138E+02 1.0000000E+00 1.0000000E+00 26 1.6456911E+02 1.0000000E+00 1.0000000E+00 27 9.3173924E+01 1.0000000E+00 1.0000000E+00 28 5.2752184E+01 1.0000000E+00 1.0000000E+00 29 2.9866649E+01 1.0000000E+00 1.0000000E+00 30 1.6909570E+01 1.0000000E+00 1.0000000E+00 31 9.5736734E+00 1.0000000E+00 1.0000000E+00 32 5.4203167E+00 1.0000000E+00 1.0000000E+00 33 3.0688151E+00 1.0000000E+00 1.0000000E+00 34 1.7374678E+00 1.0000000E+00 1.0000000E+00 35 9.8370036E-01 1.0000000E+00 1.0000000E+00 36 5.5694061E-01 1.0000000E+00 1.0000000E+00 37 3.1532248E-01 1.0000000E+00 1.0000000E+00 38 1.7852580E-01 1.0000000E+00 1.0000000E+00 39 1.0107577E-01 1.0000000E+00 1.0000000E+00 40 5.7225962E-02 1.0000000E+00 1.0000000E+00 41 3.2399564E-02 1.0000000E+00 1.0000000E+00 42 1.8343627E-02 1.0000000E+00 1.0000000E+00 43 1.0385592E-02 1.0000000E+00 1.0000000E+00 44 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.3985048E+08 1.0000000E+00 1.0000000E+00 3 7.8389406E+07 1.0000000E+00 1.0000000E+00 4 4.3939063E+07 1.0000000E+00 1.0000000E+00 5 2.4628854E+07 1.0000000E+00 1.0000000E+00 6 1.3805038E+07 1.0000000E+00 1.0000000E+00 7 7.7380410E+06 1.0000000E+00 1.0000000E+00 8 4.3373497E+06 1.0000000E+00 1.0000000E+00 9 2.4311841E+06 1.0000000E+00 1.0000000E+00 10 1.3627345E+06 1.0000000E+00 1.0000000E+00 11 7.6384401E+05 1.0000000E+00 1.0000000E+00 12 4.2815211E+05 1.0000000E+00 1.0000000E+00 13 2.3998909E+05 1.0000000E+00 1.0000000E+00 14 1.3451940E+05 1.0000000E+00 1.0000000E+00 15 7.5401213E+04 1.0000000E+00 1.0000000E+00 16 4.2264112E+04 1.0000000E+00 1.0000000E+00 17 2.3690005E+04 1.0000000E+00 1.0000000E+00 18 1.3278792E+04 1.0000000E+00 1.0000000E+00 19 7.4430679E+03 1.0000000E+00 1.0000000E+00 20 4.1720105E+03 1.0000000E+00 1.0000000E+00 21 2.3385077E+03 1.0000000E+00 1.0000000E+00 22 1.3107873E+03 1.0000000E+00 1.0000000E+00 23 7.3472638E+02 1.0000000E+00 1.0000000E+00 24 4.1183101E+02 1.0000000E+00 1.0000000E+00 25 2.3084074E+02 1.0000000E+00 1.0000000E+00 26 1.2939154E+02 1.0000000E+00 1.0000000E+00 27 7.2526928E+01 1.0000000E+00 1.0000000E+00 28 4.0653009E+01 1.0000000E+00 1.0000000E+00 29 2.2786945E+01 1.0000000E+00 1.0000000E+00 30 1.2772606E+01 1.0000000E+00 1.0000000E+00 31 7.1593392E+00 1.0000000E+00 1.0000000E+00 32 4.0129740E+00 1.0000000E+00 1.0000000E+00 33 2.2493641E+00 1.0000000E+00 1.0000000E+00 34 1.2608203E+00 1.0000000E+00 1.0000000E+00 35 7.0671871E-01 1.0000000E+00 1.0000000E+00 36 3.9613207E-01 1.0000000E+00 1.0000000E+00 37 2.2204112E-01 1.0000000E+00 1.0000000E+00 38 1.2445915E-01 1.0000000E+00 1.0000000E+00 39 6.9762212E-02 1.0000000E+00 1.0000000E+00 40 3.9103322E-02 1.0000000E+00 1.0000000E+00 41 2.1918310E-02 1.0000000E+00 1.0000000E+00 42 1.2285716E-02 1.0000000E+00 1.0000000E+00 43 6.8864261E-03 1.0000000E+00 1.0000000E+00 44 3.8600000E-03 1.0000000E+00 1.0000000E+00 P+ 1 2.0100000E+07 1.0000000E+00 1.0000000E+00 2 1.1922144E+07 1.0000000E+00 1.0000000E+00 3 7.0715183E+06 1.0000000E+00 1.0000000E+00 4 4.1944110E+06 1.0000000E+00 1.0000000E+00 5 2.4878792E+06 1.0000000E+00 1.0000000E+00 6 1.4756644E+06 1.0000000E+00 1.0000000E+00 7 8.7527777E+05 1.0000000E+00 1.0000000E+00 8 5.1916357E+05 1.0000000E+00 1.0000000E+00 9 3.0793745E+05 1.0000000E+00 1.0000000E+00 10 1.8265048E+05 1.0000000E+00 1.0000000E+00 11 1.0833758E+05 1.0000000E+00 1.0000000E+00 12 6.4259514E+04 1.0000000E+00 1.0000000E+00 13 3.8114984E+04 1.0000000E+00 1.0000000E+00 14 2.2607579E+04 1.0000000E+00 1.0000000E+00 15 1.3409493E+04 1.0000000E+00 1.0000000E+00 16 7.9537267E+03 1.0000000E+00 1.0000000E+00 17 4.7176853E+03 1.0000000E+00 1.0000000E+00 18 2.7982549E+03 1.0000000E+00 1.0000000E+00 19 1.6597611E+03 1.0000000E+00 1.0000000E+00 20 9.8447319E+02 1.0000000E+00 1.0000000E+00 21 5.8393190E+02 1.0000000E+00 1.0000000E+00 22 3.4635424E+02 1.0000000E+00 1.0000000E+00 23 2.0543707E+02 1.0000000E+00 1.0000000E+00 24 1.2185325E+02 1.0000000E+00 1.0000000E+00 25 7.2276219E+01 1.0000000E+00 1.0000000E+00 26 4.2870025E+01 1.0000000E+00 1.0000000E+00 27 2.5427991E+01 1.0000000E+00 1.0000000E+00 28 1.5082396E+01 1.0000000E+00 1.0000000E+00 29 8.9459951E+00 1.0000000E+00 1.0000000E+00 30 5.3062409E+00 1.0000000E+00 1.0000000E+00 31 3.1473517E+00 1.0000000E+00 1.0000000E+00 32 1.8668249E+00 1.0000000E+00 1.0000000E+00 33 1.1072913E+00 1.0000000E+00 1.0000000E+00 34 6.5678041E-01 1.0000000E+00 1.0000000E+00 35 3.8956371E-01 1.0000000E+00 1.0000000E+00 36 2.3106640E-01 1.0000000E+00 1.0000000E+00 37 1.3705507E-01 1.0000000E+00 1.0000000E+00 38 8.1293050E-02 1.0000000E+00 1.0000000E+00 39 4.8218281E-02 1.0000000E+00 1.0000000E+00 40 2.8600263E-02 1.0000000E+00 1.0000000E+00 41 1.6964003E-02 1.0000000E+00 1.0000000E+00 42 1.0062054E-02 1.0000000E+00 1.0000000E+00 43 5.9682218E-03 1.0000000E+00 1.0000000E+00 44 3.5400000E-03 1.0000000E+00 1.0000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ -4.0544933E+01 -2.8053752E+00 -1.8233772E-01 ------------ ------------ ------------ *** Large-Component *** 1 1.7614856E-08 -4.3126168E-09 6.4831896E-10 2 1.3920995E-08 -3.4098039E-09 5.1269582E-10 3 3.7990737E-08 -9.3010791E-09 1.3982272E-09 4 5.5316967E-08 -1.3550154E-08 2.0369104E-09 5 9.8994773E-08 -2.4240235E-08 3.6444131E-09 6 1.6324899E-07 -3.9994168E-08 6.0130572E-09 7 2.8379474E-07 -6.9506555E-08 1.0448080E-08 8 4.9036890E-07 -1.2015831E-07 1.8066419E-08 9 8.7396157E-07 -2.1409950E-07 3.2186619E-08 10 1.5752291E-06 -3.8607088E-07 5.8041752E-08 11 2.9046633E-06 -7.1173753E-07 1.0700763E-07 12 5.4358715E-06 -1.3325292E-06 2.0033062E-07 13 1.0344087E-05 -2.5351965E-06 3.8116420E-07 14 1.9935614E-05 -4.8878270E-06 7.3483349E-07 15 3.8864373E-05 -9.5273965E-06 1.4324693E-06 16 7.6452715E-05 -1.8749315E-05 2.8187657E-06 17 1.5149060E-04 -3.7151632E-05 5.5860178E-06 18 3.0185179E-04 -7.4067336E-05 1.1135630E-05 19 6.0381004E-04 -1.4822197E-04 2.2287358E-05 20 1.2107882E-03 -2.9757651E-04 4.4743569E-05 21 2.4293319E-03 -5.9804412E-04 8.9938862E-05 22 4.8662395E-03 -1.2018997E-03 1.8077078E-04 23 9.6968483E-03 -2.4080133E-03 3.6231797E-04 24 1.9113691E-02 -4.7933020E-03 7.2157763E-04 25 3.6903687E-02 -9.4112853E-03 1.4182456E-03 26 6.8671432E-02 -1.8031374E-02 2.7217456E-03 27 1.2002701E-01 -3.3123030E-02 5.0147503E-03 28 1.8939028E-01 -5.7000425E-02 8.6741793E-03 29 2.5192286E-01 -8.8516789E-02 1.3599839E-02 30 2.4900829E-01 -1.1363745E-01 1.7747168E-02 31 1.4999735E-01 -9.2828971E-02 1.4820290E-02 32 4.2557786E-02 1.3795302E-02 -2.5148329E-03 33 5.0168645E-03 1.8156624E-01 -3.1823715E-02 34 1.1178628E-03 3.2496167E-01 -6.0634782E-02 35 4.7477409E-04 3.5208414E-01 -8.0315873E-02 36 1.4494120E-04 2.1711398E-01 -9.1548117E-02 37 3.9627467E-05 5.5364292E-02 -8.4882727E-02 38 -4.9790315E-06 3.5230045E-03 -1.9548242E-02 39 6.0373056E-06 7.6440072E-05 1.5639059E-01 40 -4.8221327E-06 1.6039636E-04 3.9218347E-01 41 2.1795183E-06 8.9128541E-05 4.2021935E-01 42 -1.7116067E-06 7.0070315E-05 1.5931428E-01 43 5.9212876E-07 -6.8866667E-06 1.0663952E-02 44 -1.3472907E-07 2.3784378E-06 1.5980127E-04 *** Small-Component *** 45 -1.5504859E-08 3.7987276E-09 -5.7080176E-10 46 3.5394682E-07 -8.6662025E-08 1.3027092E-08 47 1.1332960E-07 -2.7715454E-08 4.1690065E-09 48 7.1493229E-07 -1.7507446E-07 2.6315102E-08 49 6.8603939E-07 -1.6786741E-07 2.5242752E-08 50 1.4425114E-06 -3.5326284E-07 5.3097463E-08 51 1.9552289E-06 -4.7848843E-07 7.1946091E-08 52 3.2279920E-06 -7.9048909E-07 1.1881758E-07 53 4.8037928E-06 -1.1756923E-06 1.7677283E-07 54 7.4878284E-06 -1.8335749E-06 2.7560823E-07 55 1.1390376E-05 -2.7879060E-06 4.1916866E-07 56 1.7512284E-05 -4.2881795E-06 6.4458293E-07 57 2.6768236E-05 -6.5523155E-06 9.8513486E-07 58 4.1016333E-05 -1.0043728E-05 1.5097696E-06 59 6.2753017E-05 -1.5362764E-05 2.3097458E-06 60 9.6056572E-05 -2.3524848E-05 3.5363499E-06 61 1.4694127E-04 -3.5985094E-05 5.4102555E-06 62 2.2473602E-04 -5.5066876E-05 8.2782595E-06 63 3.4342643E-04 -8.4182797E-05 1.2657138E-05 64 5.2420451E-04 -1.2865065E-04 1.9342238E-05 65 7.9835062E-04 -1.9625631E-04 2.9512292E-05 66 1.2112809E-03 -2.9875379E-04 4.4930149E-05 67 1.8251897E-03 -4.5262925E-04 6.8098841E-05 68 2.7170601E-03 -6.8047919E-04 1.0243060E-04 69 3.9580159E-03 -1.0081041E-03 1.5190655E-04 70 5.5527465E-03 -1.4562586E-03 2.1979986E-04 71 7.3127305E-03 -2.0157627E-03 3.0516252E-04 72 8.6903499E-03 -2.6127216E-03 3.9757391E-04 73 8.7035076E-03 -3.0549651E-03 4.6934372E-04 74 6.4757401E-03 -2.9524196E-03 4.6106953E-04 75 2.9357869E-03 -1.8154130E-03 2.8982812E-04 76 6.2678804E-04 2.0257351E-04 -3.6923439E-05 77 5.5591038E-05 2.0099235E-03 -3.5226473E-04 78 9.3165984E-06 2.7070115E-03 -5.0507876E-04 79 2.9777368E-06 2.2069442E-03 -5.0341208E-04 80 6.8344005E-07 1.0240303E-03 -4.3176518E-04 81 1.4095338E-07 1.9648570E-04 -3.0122638E-04 82 -1.3502773E-08 9.4078124E-06 -5.2199990E-05 83 1.2274521E-08 1.5356621E-07 3.1421543E-04 84 -7.3858134E-09 2.4250220E-07 5.9290038E-04 85 2.5386431E-09 1.0137777E-07 4.7801609E-04 86 -1.4973596E-09 5.9979747E-08 1.3636242E-04 87 3.9505077E-10 -4.4364562E-09 6.8680241E-06 88 -6.8578118E-11 1.1526767E-09 7.7438614E-08 2P- -1.5220001E+00 ------------ *** Large-Component *** 1 -2.1930535E-10 2 2.5807002E-09 3 -5.8495323E-11 4 5.6342651E-09 5 2.9243185E-09 6 1.0846102E-08 7 1.0846476E-08 8 2.2786829E-08 9 2.9682049E-08 10 5.1466829E-08 11 7.4711186E-08 12 1.2127371E-07 13 1.8503527E-07 14 2.9681693E-07 15 4.7149185E-07 16 7.7936003E-07 17 1.3257732E-06 18 2.3940716E-06 19 4.6196043E-06 20 9.6610586E-06 21 2.1765305E-05 22 5.2256831E-05 23 1.3113406E-04 24 3.3803691E-04 25 8.7915752E-04 26 2.2674622E-03 27 5.6896413E-03 28 1.3668577E-02 29 3.1092063E-02 30 6.5528440E-02 31 1.2131828E-01 32 1.8709812E-01 33 2.3700574E-01 34 2.4714230E-01 35 2.0092245E-01 36 1.0786959E-01 37 2.9253958E-02 38 3.1639759E-03 39 4.9106295E-04 40 1.3065641E-04 41 1.6594986E-05 42 1.2244595E-06 43 -5.2299917E-07 44 1.3501320E-07 *** Small-Component *** 45 2.0264325E-11 46 7.2012997E-11 47 9.6414986E-11 48 2.1440824E-10 49 3.1675968E-10 50 5.7750946E-10 51 9.1558235E-10 52 1.6052414E-09 53 2.6788396E-09 54 4.7610823E-09 55 8.3465517E-09 56 1.5302074E-08 57 2.8101988E-08 58 5.3275089E-08 59 1.0171203E-07 60 1.9835830E-07 61 3.8964132E-07 62 7.7559762E-07 63 1.5521954E-06 64 3.1299143E-06 65 6.3299700E-06 66 1.2840562E-05 67 2.6030151E-05 68 5.2593425E-05 69 1.0519886E-04 70 2.0630115E-04 71 3.9098145E-04 72 7.0667363E-04 73 1.2067477E-03 74 1.9069684E-03 75 2.6454384E-03 76 3.0558297E-03 77 2.8987627E-03 78 2.2632747E-03 79 1.3775707E-03 80 5.5356743E-04 81 1.1225696E-04 82 8.9412675E-06 83 9.8909743E-07 84 1.1438904E-07 85 2.4612562E-08 86 -7.6791383E-08 87 3.3891082E-08 88 -4.4968325E-08 2P+ -1.5145941E+00 ------------ *** Large-Component *** 1 2.7979101E-11 2 -3.5209825E-11 3 9.6449976E-11 4 -2.6153123E-11 5 2.1840970E-10 6 1.8919104E-10 7 7.3999873E-10 8 1.3916108E-09 9 3.5682232E-09 10 8.1236836E-09 11 1.9722623E-08 12 4.7209171E-08 13 1.1485812E-07 14 2.7996688E-07 15 6.8651756E-07 16 1.6882884E-06 17 4.1632938E-06 18 1.0283117E-05 19 2.5417178E-05 20 6.2793349E-05 21 1.5476563E-04 22 3.7938798E-04 23 9.2015460E-04 24 2.1900670E-03 25 5.0615114E-03 26 1.1248633E-02 27 2.3884540E-02 28 4.7874562E-02 29 8.7576846E-02 30 1.3986485E-01 31 1.9044007E-01 32 2.2140276E-01 33 2.1867431E-01 34 1.7295267E-01 35 9.5579202E-02 36 3.0168025E-02 37 4.4591330E-03 38 6.3237396E-04 39 2.0156189E-04 40 4.9406281E-05 41 1.6940486E-06 42 1.1902549E-06 43 -4.0455141E-07 44 9.5931726E-08 *** Small-Component *** 45 2.4699081E-10 46 -1.7655951E-10 47 5.8791930E-10 48 1.4834165E-10 49 1.1685368E-09 50 1.5160700E-09 51 3.4808868E-09 52 6.2522244E-09 53 1.2326684E-08 54 2.3436941E-08 55 4.5169757E-08 56 8.6620505E-08 57 1.6639034E-07 58 3.1942086E-07 59 6.1320530E-07 60 1.1769313E-06 61 2.2580480E-06 62 4.3296891E-06 63 8.2928944E-06 64 1.5853877E-05 65 3.0204077E-05 66 5.7183865E-05 67 1.0704328E-04 68 1.9653234E-04 69 3.5022919E-04 70 5.9996157E-04 71 9.8170506E-04 72 1.5160928E-03 73 2.1365043E-03 74 2.6282565E-03 75 2.7563216E-03 76 2.4680278E-03 77 1.8773832E-03 78 1.1435821E-03 79 4.8672779E-04 80 1.1831791E-04 81 1.3468936E-05 82 1.4710474E-06 83 3.6113123E-07 84 6.8152633E-08 85 1.8109608E-09 86 9.7209283E-10 87 -2.5673376E-10 88 4.7627657E-11 RADIAL MOMENTS Sym Orb

S+ 1 2.29695E+02 1.06405E+01 1.42566E-01 2.73828E-02 6.64357E-03 1.95676E-03 2 1.46385E+01 1.87358E+00 7.77437E-01 7.28604E-01 8.01275E-01 1.02116E+00 3 4.02826E-01 3.01911E-01 4.20324E+00 2.06531E+01 1.16516E+02 7.45330E+02 P- 1 4.22638E+00 1.70168E+00 7.96728E-01 8.18781E-01 1.04525E+00 1.60932E+00 P+ 1 4.18608E+00 1.69595E+00 7.98990E-01 8.23322E-01 1.05385E+00 1.62690E+00 *************************************************************************************************** *************************************************************************************************** Mg [Ne]3s(2) TW-Mod set18 (44s44p36d32f) Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 12.0 Atomic Mass = 24.0 Nuclear Radius = 7.273601E-05 Speed of Light = 137.0359955 S+ P- P+ Number of Closed Shells 3 1 1 Open Shells 0 0 0 ENERGIES Total Energy = -1.99935066923663E+02 Mass Energy = -1.99934883665773E+02 Kinetic Energy = 4.00513212166422E+02 Potential Energy = -4.00513395424312E+02 NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 2.4700000E+08 1.0000000E+00 1.0000000E+00 2 1.3984373E+08 1.0000000E+00 1.0000000E+00 3 7.9175181E+07 1.0000000E+00 1.0000000E+00 4 4.4826530E+07 1.0000000E+00 1.0000000E+00 5 2.5379390E+07 1.0000000E+00 1.0000000E+00 6 1.4369023E+07 1.0000000E+00 1.0000000E+00 7 8.1352946E+06 1.0000000E+00 1.0000000E+00 8 4.6059513E+06 1.0000000E+00 1.0000000E+00 9 2.6077466E+06 1.0000000E+00 1.0000000E+00 10 1.4764252E+06 1.0000000E+00 1.0000000E+00 11 8.3590612E+05 1.0000000E+00 1.0000000E+00 12 4.7326410E+05 1.0000000E+00 1.0000000E+00 13 2.6794744E+05 1.0000000E+00 1.0000000E+00 14 1.5170352E+05 1.0000000E+00 1.0000000E+00 15 8.5889827E+04 1.0000000E+00 1.0000000E+00 16 4.8628154E+04 1.0000000E+00 1.0000000E+00 17 2.7531751E+04 1.0000000E+00 1.0000000E+00 18 1.5587623E+04 1.0000000E+00 1.0000000E+00 19 8.8252283E+03 1.0000000E+00 1.0000000E+00 20 4.9965703E+03 1.0000000E+00 1.0000000E+00 21 2.8289030E+03 1.0000000E+00 1.0000000E+00 22 1.6016371E+03 1.0000000E+00 1.0000000E+00 23 9.0679719E+02 1.0000000E+00 1.0000000E+00 24 5.1340042E+02 1.0000000E+00 1.0000000E+00 25 2.9067138E+02 1.0000000E+00 1.0000000E+00 26 1.6456911E+02 1.0000000E+00 1.0000000E+00 27 9.3173924E+01 1.0000000E+00 1.0000000E+00 28 5.2752184E+01 1.0000000E+00 1.0000000E+00 29 2.9866649E+01 1.0000000E+00 1.0000000E+00 30 1.6909570E+01 1.0000000E+00 1.0000000E+00 31 9.5736734E+00 1.0000000E+00 1.0000000E+00 32 5.4203167E+00 1.0000000E+00 1.0000000E+00 33 3.0688151E+00 1.0000000E+00 1.0000000E+00 34 1.7374678E+00 1.0000000E+00 1.0000000E+00 35 9.8370036E-01 1.0000000E+00 1.0000000E+00 36 5.5694061E-01 1.0000000E+00 1.0000000E+00 37 3.1532248E-01 1.0000000E+00 1.0000000E+00 38 1.7852580E-01 1.0000000E+00 1.0000000E+00 39 1.0107577E-01 1.0000000E+00 1.0000000E+00 40 5.7225962E-02 1.0000000E+00 1.0000000E+00 41 3.2399564E-02 1.0000000E+00 1.0000000E+00 42 1.8343627E-02 1.0000000E+00 1.0000000E+00 43 1.0385592E-02 1.0000000E+00 1.0000000E+00 44 5.8800000E-03 1.0000000E+00 1.0000000E+00 P- 1 2.4950000E+08 1.0000000E+00 1.0000000E+00 2 1.3985048E+08 1.0000000E+00 1.0000000E+00 3 7.8389406E+07 1.0000000E+00 1.0000000E+00 4 4.3939063E+07 1.0000000E+00 1.0000000E+00 5 2.4628854E+07 1.0000000E+00 1.0000000E+00 6 1.3805038E+07 1.0000000E+00 1.0000000E+00 7 7.7380410E+06 1.0000000E+00 1.0000000E+00 8 4.3373497E+06 1.0000000E+00 1.0000000E+00 9 2.4311841E+06 1.0000000E+00 1.0000000E+00 10 1.3627345E+06 1.0000000E+00 1.0000000E+00 11 7.6384401E+05 1.0000000E+00 1.0000000E+00 12 4.2815211E+05 1.0000000E+00 1.0000000E+00 13 2.3998909E+05 1.0000000E+00 1.0000000E+00 14 1.3451940E+05 1.0000000E+00 1.0000000E+00 15 7.5401213E+04 1.0000000E+00 1.0000000E+00 16 4.2264112E+04 1.0000000E+00 1.0000000E+00 17 2.3690005E+04 1.0000000E+00 1.0000000E+00 18 1.3278792E+04 1.0000000E+00 1.0000000E+00 19 7.4430679E+03 1.0000000E+00 1.0000000E+00 20 4.1720105E+03 1.0000000E+00 1.0000000E+00 21 2.3385077E+03 1.0000000E+00 1.0000000E+00 22 1.3107873E+03 1.0000000E+00 1.0000000E+00 23 7.3472638E+02 1.0000000E+00 1.0000000E+00 24 4.1183101E+02 1.0000000E+00 1.0000000E+00 25 2.3084074E+02 1.0000000E+00 1.0000000E+00 26 1.2939154E+02 1.0000000E+00 1.0000000E+00 27 7.2526928E+01 1.0000000E+00 1.0000000E+00 28 4.0653009E+01 1.0000000E+00 1.0000000E+00 29 2.2786945E+01 1.0000000E+00 1.0000000E+00 30 1.2772606E+01 1.0000000E+00 1.0000000E+00 31 7.1593392E+00 1.0000000E+00 1.0000000E+00 32 4.0129740E+00 1.0000000E+00 1.0000000E+00 33 2.2493641E+00 1.0000000E+00 1.0000000E+00 34 1.2608203E+00 1.0000000E+00 1.0000000E+00 35 7.0671871E-01 1.0000000E+00 1.0000000E+00 36 3.9613207E-01 1.0000000E+00 1.0000000E+00 37 2.2204112E-01 1.0000000E+00 1.0000000E+00 38 1.2445915E-01 1.0000000E+00 1.0000000E+00 39 6.9762212E-02 1.0000000E+00 1.0000000E+00 40 3.9103322E-02 1.0000000E+00 1.0000000E+00 41 2.1918310E-02 1.0000000E+00 1.0000000E+00 42 1.2285716E-02 1.0000000E+00 1.0000000E+00 43 6.8864261E-03 1.0000000E+00 1.0000000E+00 44 3.8600000E-03 1.0000000E+00 1.0000000E+00 P+ 1 2.0100000E+07 1.0000000E+00 1.0000000E+00 2 1.1922144E+07 1.0000000E+00 1.0000000E+00 3 7.0715183E+06 1.0000000E+00 1.0000000E+00 4 4.1944110E+06 1.0000000E+00 1.0000000E+00 5 2.4878792E+06 1.0000000E+00 1.0000000E+00 6 1.4756644E+06 1.0000000E+00 1.0000000E+00 7 8.7527777E+05 1.0000000E+00 1.0000000E+00 8 5.1916357E+05 1.0000000E+00 1.0000000E+00 9 3.0793745E+05 1.0000000E+00 1.0000000E+00 10 1.8265048E+05 1.0000000E+00 1.0000000E+00 11 1.0833758E+05 1.0000000E+00 1.0000000E+00 12 6.4259514E+04 1.0000000E+00 1.0000000E+00 13 3.8114984E+04 1.0000000E+00 1.0000000E+00 14 2.2607579E+04 1.0000000E+00 1.0000000E+00 15 1.3409493E+04 1.0000000E+00 1.0000000E+00 16 7.9537267E+03 1.0000000E+00 1.0000000E+00 17 4.7176853E+03 1.0000000E+00 1.0000000E+00 18 2.7982549E+03 1.0000000E+00 1.0000000E+00 19 1.6597611E+03 1.0000000E+00 1.0000000E+00 20 9.8447319E+02 1.0000000E+00 1.0000000E+00 21 5.8393190E+02 1.0000000E+00 1.0000000E+00 22 3.4635424E+02 1.0000000E+00 1.0000000E+00 23 2.0543707E+02 1.0000000E+00 1.0000000E+00 24 1.2185325E+02 1.0000000E+00 1.0000000E+00 25 7.2276219E+01 1.0000000E+00 1.0000000E+00 26 4.2870025E+01 1.0000000E+00 1.0000000E+00 27 2.5427991E+01 1.0000000E+00 1.0000000E+00 28 1.5082396E+01 1.0000000E+00 1.0000000E+00 29 8.9459951E+00 1.0000000E+00 1.0000000E+00 30 5.3062409E+00 1.0000000E+00 1.0000000E+00 31 3.1473517E+00 1.0000000E+00 1.0000000E+00 32 1.8668249E+00 1.0000000E+00 1.0000000E+00 33 1.1072913E+00 1.0000000E+00 1.0000000E+00 34 6.5678041E-01 1.0000000E+00 1.0000000E+00 35 3.8956371E-01 1.0000000E+00 1.0000000E+00 36 2.3106640E-01 1.0000000E+00 1.0000000E+00 37 1.3705507E-01 1.0000000E+00 1.0000000E+00 38 8.1293050E-02 1.0000000E+00 1.0000000E+00 39 4.8218281E-02 1.0000000E+00 1.0000000E+00 40 2.8600263E-02 1.0000000E+00 1.0000000E+00 41 1.6964003E-02 1.0000000E+00 1.0000000E+00 42 1.0062054E-02 1.0000000E+00 1.0000000E+00 43 5.9682218E-03 1.0000000E+00 1.0000000E+00 44 3.5400000E-03 1.0000000E+00 1.0000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ -4.9126643E+01 -3.7801408E+00 -2.5344240E-01 ------------ ------------ ------------ *** Large-Component *** 1 2.2389460E-08 -5.6749351E-09 1.0932959E-09 2 2.1647688E-08 -5.4883413E-09 1.0575022E-09 3 4.6740781E-08 -1.1848947E-08 2.2824914E-09 4 7.9162259E-08 -2.0070070E-08 3.8674877E-09 5 1.2631707E-07 -3.2031390E-08 6.1696338E-09 6 2.2214701E-07 -5.6327948E-08 1.0855655E-08 7 3.6825856E-07 -9.3410054E-08 1.7990516E-08 8 6.4788160E-07 -1.6431341E-07 3.1670273E-08 9 1.1319593E-06 -2.8720883E-07 5.5312442E-08 10 2.0424104E-06 -5.1812426E-07 9.9872279E-08 11 3.7296622E-06 -9.4657275E-07 1.8229623E-07 12 6.9551899E-06 -1.7648840E-06 3.4019779E-07 13 1.3160907E-05 -3.3409845E-06 6.4345622E-07 14 2.5268022E-05 -6.4134969E-06 1.2362258E-06 15 4.9086728E-05 -1.2464145E-05 2.4007029E-06 16 9.6275500E-05 -2.4445047E-05 4.7117063E-06 17 1.9033676E-04 -4.8351502E-05 9.3137569E-06 18 3.7842937E-04 -9.6155064E-05 1.8533386E-05 19 7.5575320E-04 -1.9220268E-04 3.7028160E-05 20 1.5126485E-03 -3.8511197E-04 7.4234358E-05 21 3.0296533E-03 -7.7312603E-04 1.4898535E-04 22 6.0533020E-03 -1.5504132E-03 2.9896656E-04 23 1.2020664E-02 -3.0998612E-03 5.9780538E-04 24 2.3556575E-02 -6.1455370E-03 1.1864829E-03 25 4.5053422E-02 -1.1996265E-02 2.3185537E-03 26 8.2504887E-02 -2.2747675E-02 4.4082294E-03 27 1.4050585E-01 -4.1141034E-02 8.0034929E-03 28 2.1226295E-01 -6.9046703E-02 1.3535870E-02 29 2.6152957E-01 -1.0251703E-01 2.0363638E-02 30 2.2623703E-01 -1.1871980E-01 2.4112775E-02 31 1.1054662E-01 -6.9903548E-02 1.4520423E-02 32 2.3272404E-02 7.0472069E-02 -1.5805867E-02 33 2.6001273E-03 2.5183725E-01 -5.8877442E-02 34 7.6485606E-04 3.7497828E-01 -1.0024245E-01 35 3.3900408E-04 3.2056788E-01 -1.3174114E-01 36 2.6486659E-05 1.2624007E-01 -1.2037045E-01 37 4.0157145E-05 1.5124011E-02 -1.1341159E-02 38 -2.3716691E-05 5.1894465E-04 1.7609622E-01 39 1.7598893E-05 -1.3059030E-04 3.5959153E-01 40 -1.1952105E-05 9.7411752E-05 3.9799575E-01 41 7.4718327E-06 -5.9066165E-05 1.9855076E-01 42 -3.9940183E-06 3.1300835E-05 2.6330659E-02 43 1.5977651E-06 -1.2486168E-05 4.0421734E-04 44 -3.4692019E-07 2.7188237E-06 -3.0027241E-05 *** Small-Component *** 45 -2.7688921E-08 7.0134087E-09 -1.3533763E-09 46 4.4701259E-07 -1.1327302E-07 2.1831792E-08 47 1.3503048E-07 -3.4258659E-08 6.5791033E-09 48 8.9683690E-07 -2.2722419E-07 4.3814061E-08 49 8.5440277E-07 -2.1664188E-07 4.1677511E-08 50 1.8051509E-06 -4.5733587E-07 8.8197009E-08 51 2.4438215E-06 -6.1957540E-07 1.1923938E-07 52 4.0363405E-06 -1.0226516E-06 1.9719565E-07 53 6.0067699E-06 -1.5227717E-06 2.9312962E-07 54 9.3594404E-06 -2.3714702E-06 4.5721129E-07 55 1.4240028E-05 -3.6098252E-06 6.9500175E-07 56 2.1882608E-05 -5.5449695E-06 1.0688975E-06 57 3.3453304E-05 -8.4803349E-06 1.6329482E-06 58 5.1234705E-05 -1.2984133E-05 2.5026517E-06 59 7.8391514E-05 -1.9873795E-05 3.8272788E-06 60 1.1993708E-04 -3.0402424E-05 5.8595023E-06 61 1.8346091E-04 -4.6526734E-05 8.9610590E-06 62 2.8043525E-04 -7.1133867E-05 1.3709297E-05 63 4.2840776E-04 -1.0876579E-04 2.0951284E-05 64 6.5334581E-04 -1.6605277E-04 3.2004924E-05 65 9.9404533E-04 -2.5323583E-04 4.8794046E-05 66 1.5052106E-03 -3.8487928E-04 7.4208237E-05 67 2.2612312E-03 -5.8216862E-04 1.1225817E-04 68 3.3476422E-03 -8.7196682E-04 1.6832796E-04 69 4.8317138E-03 -1.2845857E-03 2.4825058E-04 70 6.6717227E-03 -1.8368542E-03 3.5592725E-04 71 8.5617022E-03 -2.5035539E-03 4.8699371E-04 72 9.7419162E-03 -3.1648892E-03 6.2039291E-04 73 9.0376182E-03 -3.5383371E-03 7.0279253E-04 74 5.8850088E-03 -3.0847670E-03 6.2650291E-04 75 2.1641393E-03 -1.3674135E-03 2.8404251E-04 76 3.4282127E-04 1.0363836E-03 -2.3241461E-04 77 2.8812004E-05 2.7879108E-03 -6.5174061E-04 78 6.3751012E-06 3.1237323E-03 -8.3500184E-04 79 2.1259977E-06 2.0094492E-03 -8.2573789E-04 80 1.2490728E-07 5.9543568E-04 -5.6770384E-04 81 1.4258796E-07 5.3675917E-05 -4.0252730E-05 82 -6.3360231E-08 1.3858350E-06 4.7021170E-04 83 3.5360956E-08 -2.6241210E-07 7.2248515E-04 84 -1.8046863E-08 1.4727653E-07 6.0168916E-04 85 8.4678125E-09 -6.7187730E-08 2.2585987E-04 86 -3.3947169E-09 2.6787079E-08 2.2537334E-05 87 1.0142636E-09 -8.0377182E-09 2.6033694E-07 88 -1.6243537E-10 1.3156975E-09 -1.4552795E-08 2P- -2.2882972E+00 ------------ *** Large-Component *** 1 -3.7878676E-10 2 3.8107744E-09 3 -1.3257942E-10 4 8.2810869E-09 5 4.2547084E-09 6 1.5918739E-08 7 1.5876915E-08 8 3.3421298E-08 9 4.3493553E-08 10 7.5458622E-08 11 1.0950913E-07 12 1.7778855E-07 13 2.7128886E-07 14 4.3521325E-07 15 6.9157408E-07 16 1.1432383E-06 17 1.9456081E-06 18 3.5128898E-06 19 6.7789860E-06 20 1.4166143E-05 21 3.1891226E-05 22 7.6450769E-05 23 1.9148915E-04 24 4.9206896E-04 25 1.2734765E-03 26 3.2583746E-03 27 8.0865135E-03 28 1.9173201E-02 29 4.2849920E-02 30 8.7236315E-02 31 1.5240210E-01 32 2.1927548E-01 33 2.5811847E-01 34 2.3907205E-01 35 1.4994674E-01 36 5.0475761E-02 37 7.4878045E-03 38 1.0754073E-03 39 3.0411936E-04 40 5.3151104E-05 41 1.7022359E-06 42 8.6021916E-08 43 1.4132552E-07 44 -4.3620291E-08 *** Small-Component *** 45 2.9285530E-11 46 1.1504034E-10 47 1.5121927E-10 48 3.3693132E-10 49 5.0197386E-10 50 9.0030287E-10 51 1.4410005E-09 52 2.4829834E-09 53 4.1645446E-09 54 7.2910584E-09 55 1.2791270E-08 56 2.3170099E-08 57 4.2475176E-08 58 7.9809421E-08 59 1.5197723E-07 60 2.9458351E-07 61 5.7727843E-07 62 1.1445701E-06 63 2.2862969E-06 64 4.5983062E-06 65 9.2847115E-06 66 1.8794799E-05 67 3.8020560E-05 68 7.6569146E-05 69 1.5239624E-04 70 2.9647435E-04 71 5.5570508E-04 72 9.9126768E-04 73 1.6630842E-03 74 2.5386830E-03 75 3.3231971E-03 76 3.5812751E-03 77 3.1568514E-03 78 2.1891896E-03 79 1.0278337E-03 80 2.5876355E-04 81 2.8526001E-05 82 2.8913864E-06 83 5.7034591E-07 84 -3.2833083E-08 85 7.6700155E-09 86 -9.5761786E-08 87 4.2238677E-08 88 -5.5433946E-08 2P+ -2.2767281E+00 ------------ *** Large-Component *** 1 4.3653365E-11 2 -5.5044750E-11 3 1.4953782E-10 4 -4.1374391E-11 5 3.3323924E-10 6 2.8684253E-10 7 1.1098075E-09 8 2.0934724E-09 9 5.2999783E-09 10 1.2101809E-08 11 2.9127196E-08 12 6.9806639E-08 13 1.6895233E-07 14 4.1191141E-07 15 1.0069721E-06 16 2.4757756E-06 17 6.0936951E-06 18 1.5043388E-05 19 3.7128321E-05 20 9.1627728E-05 21 2.2536049E-04 22 5.5086376E-04 23 1.3294538E-03 24 3.1410977E-03 25 7.1871316E-03 26 1.5789091E-02 27 3.3038565E-02 28 6.4519625E-02 29 1.1276292E-01 30 1.6962863E-01 31 2.1683965E-01 32 2.3447564E-01 33 2.0319059E-01 34 1.2358027E-01 35 4.4249277E-02 36 8.0650810E-03 37 1.2579507E-03 38 4.0172203E-04 39 1.0071013E-04 40 9.7042199E-06 41 1.5643812E-06 42 -7.9437415E-07 43 4.1570656E-07 44 -1.2067417E-07 *** Small-Component *** 45 3.6011773E-10 46 -2.5416600E-10 47 8.5093856E-10 48 2.3227650E-10 49 1.6847357E-09 50 2.2513695E-09 51 5.0396280E-09 52 9.2076003E-09 53 1.7924259E-08 54 3.4381663E-08 55 6.5839172E-08 56 1.2681229E-07 57 2.4280158E-07 58 4.6709632E-07 59 8.9516967E-07 60 1.7197186E-06 61 3.2960489E-06 62 6.3212604E-06 63 1.2095988E-05 64 2.3109492E-05 65 4.3948957E-05 66 8.2988901E-05 67 1.5460906E-04 68 2.8182316E-04 69 4.9726066E-04 70 8.4209725E-04 71 1.3579464E-03 72 2.0432382E-03 73 2.7509869E-03 74 3.1876013E-03 75 3.1384482E-03 76 2.6137916E-03 77 1.7444859E-03 78 8.1714490E-04 79 2.2533995E-04 80 3.1631505E-05 81 3.7996836E-06 82 9.3450311E-07 83 1.8044416E-07 84 1.3376902E-08 85 1.6705186E-09 86 -6.5187464E-10 87 2.6018958E-10 88 -5.7162055E-11 RADIAL MOMENTS Sym Orb

S+ 1 2.74929E+02 1.16411E+01 1.30276E-01 2.28584E-02 5.06473E-03 1.36173E-03 2 1.86633E+01 2.11623E+00 6.88636E-01 5.68444E-01 5.46963E-01 6.05981E-01 3 7.99113E-01 4.00212E-01 3.24800E+00 1.23826E+01 5.44427E+01 2.73063E+02 P- 1 5.53088E+00 1.95866E+00 6.83246E-01 5.94894E-01 6.36902E-01 8.16065E-01 P+ 1 5.46897E+00 1.95114E+00 6.85373E-01 5.98464E-01 6.42517E-01 8.25554E-01 ***************************************************************************************************