Na [Ne]3s(1) TW-Mod set27 (62s62p36d36f) 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 = -1.62078087814520E+02 Mass Energy = -1.62077965835291E+02 Kinetic Energy = 3.24595791310669E+02 Potential Energy = -3.24595913289898E+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+ 3S+ -4.0544933E+01 -2.8053751E+00 -1.8233771E-01 ------------ ------------ ------------ *** Large-Component *** 1 9.4676458E-09 -2.3182514E-09 -3.4892621E-10 2 4.5158546E-08 -1.1055323E-08 -1.6598337E-09 3 -8.4771213E-08 2.0749052E-08 3.1132058E-09 4 2.1147796E-07 -5.1765568E-08 -7.7698755E-09 5 -2.2795246E-07 5.5786156E-08 8.3668191E-09 6 3.8241475E-07 -9.3601945E-08 -1.4045523E-08 7 -2.9778412E-07 7.2869182E-08 1.0925903E-08 8 5.1780372E-07 -1.2675749E-07 -1.9027187E-08 9 -2.6059497E-07 6.3745355E-08 9.5502070E-09 10 6.7461986E-07 -1.6513737E-07 -2.4778799E-08 11 -8.1785973E-08 1.9847378E-08 2.9082009E-09 12 9.7178002E-07 -2.3782057E-07 -3.5636063E-08 13 3.6863754E-07 -9.0726066E-08 -1.3818556E-08 14 1.6598139E-06 -4.0618990E-07 -6.0810139E-08 15 1.4587567E-06 -3.5820177E-07 -5.4192396E-08 16 3.3508459E-06 -8.2042955E-07 -1.2294160E-07 17 4.1603624E-06 -1.0205722E-06 -1.5386313E-07 18 7.6261999E-06 -1.8685700E-06 -2.8052050E-07 19 1.1033261E-05 -2.7053791E-06 -4.0712912E-07 20 1.8654495E-05 -4.5726122E-06 -6.8704730E-07 21 2.8873181E-05 -7.0798650E-06 -1.0649578E-06 22 4.7538363E-05 -1.1655673E-05 -1.7517097E-06 23 7.5842449E-05 -1.8600453E-05 -2.7974319E-06 24 1.2402073E-04 -3.0418595E-05 -4.5722112E-06 25 2.0067751E-04 -4.9237173E-05 -7.4047750E-06 26 3.2797526E-04 -8.0492970E-05 -1.2099532E-05 27 5.3423811E-04 -1.3119673E-04 -1.9731395E-05 28 8.7356800E-04 -2.1468264E-04 -3.2274328E-05 29 1.4263302E-03 -3.5096238E-04 -5.2786258E-05 30 2.3302305E-03 -5.7435361E-04 -8.6365328E-05 31 3.7988802E-03 -9.3882707E-04 -1.4123237E-04 32 6.1778971E-03 -1.5326502E-03 -2.3056024E-04 33 9.9959676E-03 -2.4942489E-03 -3.7542020E-04 34 1.6052049E-02 -4.0396770E-03 -6.0822288E-04 35 2.5470875E-02 -6.4913733E-03 -9.7822803E-04 36 3.9704810E-02 -1.0307745E-02 -1.5548084E-03 37 6.0298005E-02 -1.6082864E-02 -2.4300922E-03 38 8.8231564E-02 -2.4481782E-02 -3.7073396E-03 39 1.2251888E-01 -3.6040411E-02 -5.4775152E-03 40 1.5789606E-01 -5.0710715E-02 -7.7472434E-03 41 1.8234367E-01 -6.6836365E-02 -1.0296573E-02 42 1.7896238E-01 -7.9202098E-02 -1.2343939E-02 43 1.3904344E-01 -7.7422902E-02 -1.2255613E-02 44 7.8465943E-02 -4.8921218E-02 -7.8434921E-03 45 2.9148894E-02 1.1453061E-02 2.0545845E-03 46 6.7693215E-03 9.3866012E-02 1.6302217E-02 47 1.5216468E-03 1.7701941E-01 3.1644818E-02 48 6.9942295E-04 2.3763608E-01 4.4988786E-02 49 3.8887070E-04 2.5306956E-01 5.4753164E-02 50 1.8745007E-04 2.0831827E-01 6.1692260E-02 51 7.9405362E-05 1.2062082E-01 6.5180970E-02 52 2.0839340E-05 4.2919832E-02 6.0788659E-02 53 8.0446057E-06 7.7218480E-03 3.6825633E-02 54 -2.4146697E-06 6.9250857E-04 -2.0847948E-02 55 3.0267157E-06 -3.1913255E-05 -1.2126726E-01 56 -3.2031303E-06 1.7628420E-04 -2.4237153E-01 57 2.0366500E-06 3.5649749E-06 -3.1772475E-01 58 -2.1825124E-06 1.5174247E-04 -2.7201951E-01 59 8.9840092E-07 -3.8291365E-06 -1.3441793E-01 60 -5.2010832E-07 2.8714102E-05 -3.0283589E-02 61 1.2777955E-07 -4.8136780E-06 -2.1519512E-03 62 -1.4127818E-08 5.9199794E-07 -3.4689014E-05 *** Small-Component *** 63 -2.0913335E-07 5.1198068E-08 7.6968360E-09 64 9.3500820E-07 -2.2890024E-07 -3.4411564E-08 65 -1.2748228E-06 3.1209165E-07 4.6918080E-08 66 2.0874738E-06 -5.1103781E-07 -7.6825601E-08 67 -1.6736849E-06 4.0973896E-07 6.1595575E-08 68 2.4490653E-06 -5.9956228E-07 -9.0130998E-08 69 -1.1471726E-06 2.8085143E-07 4.2218087E-08 70 2.4871988E-06 -6.0891208E-07 -9.1537065E-08 71 -1.1552756E-07 2.8312018E-08 4.2543156E-09 72 2.8049712E-06 -6.8672747E-07 -1.0323610E-07 73 1.3419262E-06 -3.2846635E-07 -4.9381468E-08 74 3.8442857E-06 -9.4119004E-07 -1.4148816E-07 75 3.5429165E-06 -8.6727378E-07 -1.3038745E-07 76 6.1395896E-06 -1.5031336E-06 -2.2595492E-07 77 7.1997424E-06 -1.7625261E-06 -2.6499793E-07 78 1.0614389E-05 -2.5986306E-06 -3.9060189E-07 79 1.3615272E-05 -3.3332669E-06 -5.0120023E-07 80 1.8967345E-05 -4.6435914E-06 -6.9792864E-07 81 2.5137984E-05 -6.1546637E-06 -9.2549587E-07 82 3.4317983E-05 -8.4020334E-06 -1.2627558E-06 83 4.6018600E-05 -1.1268111E-05 -1.6944720E-06 84 6.2364014E-05 -1.5270376E-05 -2.2950436E-06 85 8.3966987E-05 -2.0563948E-05 -3.0923075E-06 86 1.1346802E-04 -2.7791304E-05 -4.1770050E-06 87 1.5294841E-04 -3.7473305E-05 -5.6351739E-06 88 2.0637945E-04 -5.0578206E-05 -7.6021524E-06 89 2.7811205E-04 -6.8200238E-05 -1.0256138E-05 90 3.7468780E-04 -9.1949681E-05 -1.3822145E-05 91 5.0410600E-04 -1.2386385E-04 -1.8628119E-05 92 6.7724740E-04 -1.6669250E-04 -2.5063457E-05 93 9.0755447E-04 -2.2397364E-04 -3.3690630E-05 94 1.2118358E-03 -3.0022835E-04 -4.5160786E-05 95 1.6092240E-03 -4.0100191E-04 -6.0351320E-05 96 2.1194506E-03 -5.3268645E-04 -8.0197203E-05 97 2.7572321E-03 -7.0179913E-04 -1.0575011E-04 98 3.5222896E-03 -9.1330197E-04 -1.3775275E-04 99 4.3823981E-03 -1.1675115E-03 -1.7639637E-04 100 5.2521564E-03 -1.4556886E-03 -2.2042537E-04 101 5.9722121E-03 -1.7548992E-03 -2.6669792E-04 102 6.3015536E-03 -2.0217210E-03 -3.0884753E-04 103 5.9574366E-03 -2.1814199E-03 -3.3604442E-04 104 4.7860103E-03 -2.1160493E-03 -3.2977858E-04 105 3.0434457E-03 -1.6931602E-03 -2.6800963E-04 106 1.4055929E-03 -8.7575669E-04 -1.4040922E-04 107 4.2731019E-04 1.6744612E-04 3.0033648E-05 108 8.1199009E-05 1.1247330E-03 1.9532497E-04 109 1.4935288E-05 1.7359557E-03 3.1031179E-04 110 5.6148039E-06 1.9070949E-03 3.6102944E-04 111 2.5557741E-06 1.6620113E-03 3.5956913E-04 112 1.0072105E-06 1.1195665E-03 3.3153335E-04 113 3.4975825E-07 5.3048621E-04 2.8664577E-04 114 7.4688261E-08 1.5446522E-04 2.1876080E-04 115 2.3858975E-08 2.2742951E-05 1.0845008E-04 116 -5.7624931E-09 1.6673527E-06 -5.0240484E-05 117 5.6745771E-09 -6.0892973E-08 -2.3914349E-04 118 -4.6732340E-09 2.8204856E-07 -3.9113404E-04 119 2.0887826E-09 7.2750552E-09 -4.1958186E-04 120 -1.8000638E-09 1.6173188E-07 -2.9396320E-04 121 4.0028054E-10 -1.8281602E-09 -1.1886929E-04 122 -1.7763595E-10 1.9988796E-08 -2.1915602E-05 123 1.3938931E-11 -2.5955496E-09 -1.2742669E-06 124 2.1321857E-12 2.4683171E-10 -1.6824032E-08 2P- -1.5220000E+00 ------------ *** Large-Component *** 1 -1.4904727E-09 2 6.7841748E-09 3 -1.0727269E-08 4 1.8567391E-08 5 -1.9247323E-08 6 2.7424494E-08 7 -2.2131049E-08 8 3.3138293E-08 9 -1.9886754E-08 10 3.8686964E-08 11 -1.2856637E-08 12 4.7423092E-08 13 6.6156948E-10 14 6.3692141E-08 15 2.5308630E-08 16 9.4793190E-08 17 7.0728609E-08 18 1.5470556E-07 19 1.5679217E-07 20 2.7271647E-07 21 3.2758972E-07 22 5.1754935E-07 23 6.9421547E-07 24 1.0759817E-06 25 1.5830448E-06 26 2.5381409E-06 27 4.0939741E-06 28 7.0014634E-06 29 1.2299899E-05 30 2.2473349E-05 31 4.2074232E-05 32 8.0554307E-05 33 1.5635506E-04 34 3.0612705E-04 35 6.0064958E-04 36 1.1740292E-03 37 2.2706262E-03 38 4.3174111E-03 39 8.0274719E-03 40 1.4543582E-02 41 2.5564861E-02 42 4.3127678E-02 43 6.8439369E-02 44 9.9961425E-02 45 1.3260915E-01 46 1.5946566E-01 47 1.7434007E-01 48 1.7237807E-01 49 1.4987310E-01 50 1.0813294E-01 51 5.9492037E-02 52 2.2444558E-02 53 5.2611878E-03 54 9.4426967E-04 55 3.1339329E-04 56 1.3586594E-04 57 3.7871385E-05 58 7.0481502E-06 59 2.7142273E-06 60 -2.7882572E-06 61 1.7227658E-06 62 -4.3138670E-07 *** Small-Component *** 63 9.2935593E-13 64 9.9583678E-11 65 -5.9358167E-11 66 2.2985912E-10 67 -2.9097230E-11 68 3.3450315E-10 69 1.2769383E-10 70 5.0191394E-10 71 4.4438923E-10 72 8.7515396E-10 73 1.0748813E-09 74 1.7229705E-09 75 2.4222955E-09 76 3.6726095E-09 77 5.4826776E-09 78 8.2881915E-09 79 1.2772878E-08 80 1.9589565E-08 81 3.0818050E-08 82 4.8131028E-08 83 7.6873962E-08 84 1.2207119E-07 85 1.9721968E-07 86 3.1736980E-07 87 5.1717263E-07 88 8.4058461E-07 89 1.3779118E-06 90 2.2554408E-06 91 3.7107116E-06 92 6.0993526E-06 93 1.0048889E-05 94 1.6532018E-05 95 2.7181198E-05 96 4.4518239E-05 97 7.2516331E-05 98 1.1695652E-04 99 1.8596428E-04 100 2.8986896E-04 101 4.4108361E-04 102 6.5313223E-04 103 9.3766815E-04 104 1.2911560E-03 105 1.6719546E-03 106 1.9921259E-03 107 2.1556749E-03 108 2.1140825E-03 109 1.8849927E-03 110 1.5197317E-03 111 1.0776033E-03 112 6.3375093E-04 113 2.8444681E-04 114 8.7171403E-05 115 1.6848465E-05 116 2.0686910E-06 117 9.4827240E-07 118 -2.2605581E-07 119 4.8450214E-07 120 -5.1515416E-07 121 4.6488197E-07 122 -4.1551636E-07 123 2.4525911E-07 124 -1.0581592E-07 2P+ -1.5145940E+00 ------------ *** Large-Component *** 1 -7.4128808E-11 2 2.4066680E-10 3 -5.3252990E-10 4 8.0749914E-10 5 -1.1476901E-09 6 1.2790584E-09 7 -1.6120753E-09 8 1.4213394E-09 9 -2.0089132E-09 10 1.0928989E-09 11 -2.7918956E-09 12 -3.0083187E-10 13 -5.2881054E-09 14 -5.0550281E-09 15 -1.3917632E-08 16 -2.1365355E-08 17 -4.4140992E-08 18 -7.8302933E-08 19 -1.5081605E-07 20 -2.7946413E-07 21 -5.2985303E-07 22 -9.9561349E-07 23 -1.8834234E-06 24 -3.5569662E-06 25 -6.7316929E-06 26 -1.2736356E-05 27 -2.4105802E-05 28 -4.5594062E-05 29 -8.6143429E-05 30 -1.6239437E-04 31 -3.0503856E-04 32 -5.6969516E-04 33 -1.0548641E-03 34 -1.9295419E-03 35 -3.4732922E-03 36 -6.1318589E-03 37 -1.0592739E-02 38 -1.7868051E-02 39 -2.9279028E-02 40 -4.6074437E-02 41 -6.8501716E-02 42 -9.4810919E-02 43 -1.2120620E-01 44 -1.4305167E-01 45 -1.5625342E-01 46 -1.5755316E-01 47 -1.4421300E-01 48 -1.1555504E-01 49 -7.6697061E-02 50 -3.9288720E-02 51 -1.4305420E-02 52 -3.5139562E-03 53 -7.5958173E-04 54 -2.9416192E-04 55 -1.3152750E-04 56 -5.1953071E-05 57 -8.2891648E-06 58 -4.3763158E-06 59 1.8182640E-06 60 -1.0655651E-06 61 4.4438275E-07 62 -1.0025690E-07 *** Small-Component *** 63 -5.9950947E-10 64 1.5452799E-09 65 -2.9552748E-09 66 3.5922771E-09 67 -4.5419248E-09 68 3.8221593E-09 69 -4.7676805E-09 70 2.4487998E-09 71 -4.9939275E-09 72 -2.4907875E-10 73 -6.8915832E-09 74 -5.4711740E-09 75 -1.3194373E-08 76 -1.7151685E-08 77 -3.0259704E-08 78 -4.5381560E-08 79 -7.3976034E-08 80 -1.1544354E-07 81 -1.8425427E-07 82 -2.9064872E-07 83 -4.6120884E-07 84 -7.2954208E-07 85 -1.1555620E-06 86 -1.8286264E-06 87 -2.8936296E-06 88 -4.5760944E-06 89 -7.2315408E-06 90 -1.1415159E-05 91 -1.7987804E-05 92 -2.8271194E-05 93 -4.4254908E-05 94 -6.8858216E-05 95 -1.0619165E-04 96 -1.6174595E-04 97 -2.4239131E-04 98 -3.5620095E-04 99 -5.1212553E-04 100 -7.1888946E-04 101 -9.8020544E-04 102 -1.2834046E-03 103 -1.5875223E-03 104 -1.8279697E-03 105 -1.9440644E-03 106 -1.9087235E-03 107 -1.7343524E-03 108 -1.4547531E-03 109 -1.1076920E-03 110 -7.3833707E-04 111 -4.0765673E-04 112 -1.7371324E-04 113 -5.2615550E-05 114 -1.0751182E-05 115 -1.9332549E-06 116 -6.2272535E-07 117 -2.3171121E-07 118 -7.6036611E-08 119 -1.0168315E-08 120 -4.3861344E-09 121 1.4997853E-09 122 -7.2834410E-10 123 2.5090962E-10 124 -4.6573765E-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 7.45328E+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 1.62689E+00 Mg [Ne]3s(2) TW-Mod set27 (62s62p36d36f) 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 = -1.99935066926285E+02 Mass Energy = -1.99934884801326E+02 Kinetic Energy = 4.00513214440204E+02 Potential Energy = -4.00513396565163E+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 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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+ 3S+ -4.9126643E+01 -3.7801408E+00 -2.5344240E-01 ------------ ------------ ------------ *** Large-Component *** 1 9.3579637E-09 -2.3703085E-09 4.5694395E-10 2 7.2271234E-08 -1.8326155E-08 3.5294416E-09 3 -1.3718900E-07 3.4789484E-08 -6.6991750E-09 4 3.1996252E-07 -8.1135303E-08 1.5623797E-08 5 -3.5347171E-07 8.9649861E-08 -1.7255499E-08 6 5.6918085E-07 -1.4437400E-07 2.7783675E-08 7 -4.6318453E-07 1.1754792E-07 -2.2592724E-08 8 7.6002592E-07 -1.9288953E-07 3.7077890E-08 9 -4.2271683E-07 1.0743633E-07 -2.0575840E-08 10 9.6981367E-07 -2.4629946E-07 4.7283996E-08 11 -1.9297228E-07 4.9384263E-08 -9.2910596E-09 12 1.3552379E-06 -3.4436079E-07 6.6062516E-08 13 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