ALUMINIUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1508491365E+07 0.1000000000E+01 0.1000000000E+01 2 0.2907088879E+06 0.1000000000E+01 0.1000000000E+01 3 0.6546164074E+05 0.1000000000E+01 0.1000000000E+01 4 0.1696583787E+05 0.1000000000E+01 0.1000000000E+01 5 0.4985059449E+04 0.1000000000E+01 0.1000000000E+01 6 0.1635756778E+04 0.1000000000E+01 0.1000000000E+01 7 0.5904283831E+03 0.1000000000E+01 0.1000000000E+01 8 0.2309205537E+03 0.1000000000E+01 0.1000000000E+01 9 0.9639434861E+02 0.1000000000E+01 0.1000000000E+01 10 0.4230395085E+02 0.1000000000E+01 0.1000000000E+01 11 0.1922637514E+02 0.1000000000E+01 0.1000000000E+01 12 0.8913489892E+01 0.1000000000E+01 0.1000000000E+01 13 0.4152204892E+01 0.1000000000E+01 0.1000000000E+01 14 0.1914419743E+01 0.1000000000E+01 0.1000000000E+01 15 0.8605372931E+00 0.1000000000E+01 0.1000000000E+01 16 0.3714694688E+00 0.1000000000E+01 0.1000000000E+01 17 0.1516855479E+00 0.1000000000E+01 0.1000000000E+01 18 0.5771380254E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.2392158852E+04 0.1000000000E+01 0.1000000000E+01 2 0.6102448199E+03 0.1000000000E+01 0.1000000000E+01 3 0.1856099736E+03 0.1000000000E+01 0.1000000000E+01 4 0.6541840254E+02 0.1000000000E+01 0.1000000000E+01 5 0.2596679062E+02 0.1000000000E+01 0.1000000000E+01 6 0.1128170215E+02 0.1000000000E+01 0.1000000000E+01 7 0.5214195289E+01 0.1000000000E+01 0.1000000000E+01 8 0.2491578429E+01 0.1000000000E+01 0.1000000000E+01 9 0.1196340306E+01 0.1000000000E+01 0.1000000000E+01 10 0.5609783590E+00 0.1000000000E+01 0.1000000000E+01 11 0.2496703544E+00 0.1000000000E+01 0.1000000000E+01 12 0.1025027795E+00 0.1000000000E+01 0.1000000000E+01 13 0.3772857455E-01 0.1000000000E+01 0.1000000000E+01 P+ 1 0.2392158852E+04 0.1000000000E+01 0.1000000000E+01 2 0.6102448199E+03 0.1000000000E+01 0.1000000000E+01 3 0.1856099736E+03 0.1000000000E+01 0.1000000000E+01 4 0.6541840254E+02 0.1000000000E+01 0.1000000000E+01 5 0.2596679062E+02 0.1000000000E+01 0.1000000000E+01 6 0.1128170215E+02 0.1000000000E+01 0.1000000000E+01 7 0.5214195289E+01 0.1000000000E+01 0.1000000000E+01 8 0.2491578429E+01 0.1000000000E+01 0.1000000000E+01 9 0.1196340306E+01 0.1000000000E+01 0.1000000000E+01 10 0.5609783590E+00 0.1000000000E+01 0.1000000000E+01 11 0.2496703544E+00 0.1000000000E+01 0.1000000000E+01 12 0.1025027795E+00 0.1000000000E+01 0.1000000000E+01 13 0.3772857455E-01 0.1000000000E+01 0.1000000000E+01 S+ P- P+ NUMBER OF CLOSED SHELLS 3 1 1 OPEN SHELLS 0 1 1 NUMBER OF OPEN SHELL CONFG 2 CONF OPEN SHELL OCCUPATION NUMBERS 1 0.0 1.0 0.0 2 0.0 0.0 1.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ -5.8633565E+01 -4.9292690E+00 -3.9444027E-01 ------------ ------------ ------------ 1 -9.2139801E-06 -2.4066449E-06 5.5588196E-07 2 -3.9953056E-05 -1.0438150E-05 2.4101109E-06 3 -2.1011408E-04 -5.4940297E-05 1.2692953E-05 4 -9.4926217E-04 -2.4830771E-04 5.7332257E-05 5 -3.8201919E-03 -1.0023208E-03 2.3165663E-04 6 -1.3488260E-02 -3.5609360E-03 8.2263147E-04 7 -4.1590377E-02 -1.1188068E-02 2.5912232E-03 8 -1.0955262E-01 -3.0710895E-02 7.1247448E-03 9 -2.3273295E-01 -7.1716570E-02 1.6792074E-02 10 -3.5642696E-01 -1.3425271E-01 3.1848902E-02 11 -3.0023251E-01 -1.6628365E-01 4.0974950E-02 12 -8.7529457E-02 -2.6067951E-02 5.8878333E-03 13 -5.0977753E-03 3.0130940E-01 -8.3663347E-02 14 -1.1747587E-03 5.4859768E-01 -2.0130457E-01 15 -6.6506167E-05 2.8242722E-01 -2.3253885E-01 16 -3.3794772E-05 1.0007909E-02 1.1293584E-01 17 1.2760315E-05 2.6235039E-03 6.6205636E-01 18 -1.5677190E-06 -6.2504937E-04 4.1456890E-01 19 -3.8875484E-05 -1.0142353E-05 2.3426335E-06 20 -1.0448157E-04 -2.7249343E-05 6.2905698E-06 21 -2.9459088E-04 -7.6884668E-05 1.7760902E-05 22 -7.2884750E-04 -1.9026482E-04 4.3923056E-05 23 -1.6440901E-03 -4.3049804E-04 9.9483030E-05 24 -3.3856556E-03 -8.9204900E-04 2.0604490E-04 25 -6.3306878E-03 -1.6998081E-03 3.9363294E-04 26 -1.0482185E-02 -2.9333718E-03 6.8043553E-04 27 -1.4426016E-02 -4.4383549E-03 1.0391029E-03 28 -1.4657268E-02 -5.5127045E-03 1.3076520E-03 29 -8.3292819E-03 -4.6071680E-03 1.1352023E-03 30 -1.6538376E-03 -4.9295523E-04 1.1142119E-04 31 -6.5716770E-05 3.8797276E-03 -1.0771481E-03 32 -1.0284627E-05 4.7972305E-03 -1.7601310E-03 33 -3.8779332E-07 1.6559082E-03 -1.3632569E-03 34 -1.3111933E-07 3.8548675E-05 4.3498123E-04 35 3.1761297E-08 6.4597288E-06 1.6295357E-03 36 -2.4721410E-09 -9.4957502E-07 6.2941260E-04 2P- 3P- -3.2282213E+00 -2.0991278E-01 ------------ ------------ 1 1.2714003E-04 2.2870797E-05 2 7.8206152E-04 1.4008916E-04 3 4.8738332E-03 8.7923218E-04 4 2.1812440E-02 3.9361157E-03 5 7.2302515E-02 1.3279102E-02 6 1.7293091E-01 3.2151812E-02 7 2.8625166E-01 5.4650771E-02 8 3.3906385E-01 6.5740852E-02 9 2.5337049E-01 5.8291703E-02 10 7.4380841E-02 -3.6333711E-02 11 4.1243968E-03 -2.5623002E-01 12 8.5268043E-04 -5.3168689E-01 13 -4.3631574E-06 -3.2571085E-01 14 3.4733321E-05 6.2547233E-06 15 1.4582942E-04 2.6116468E-05 16 5.2548366E-04 9.4803811E-05 17 1.4259796E-03 2.5731514E-04 18 2.9935475E-03 5.4980874E-04 19 4.7311621E-03 8.7964355E-04 20 5.3277711E-03 1.0172202E-03 21 4.3643132E-03 8.4622779E-04 22 2.2594496E-03 5.1992775E-04 23 4.5377531E-04 -2.2210104E-04 24 1.6190738E-05 -1.0446162E-03 25 2.0058882E-06 -1.3888335E-03 26 -2.5784336E-07 -5.1618870E-04 2P+ 3P+ -3.2108703E+00 -2.0937682E-01 ------------ ------------ 1 8.3888187E-05 -1.5127320E-05 2 7.0783262E-04 -1.2692090E-04 3 4.6605994E-03 -8.4190760E-04 4 2.1395931E-02 -3.8655982E-03 5 7.1494843E-02 -1.3146667E-02 6 1.7186164E-01 -3.1988939E-02 7 2.8542300E-01 -5.4552571E-02 8 3.3927463E-01 -6.5863536E-02 9 2.5481258E-01 -5.8758942E-02 10 7.5498001E-02 3.5336494E-02 11 4.2485580E-03 2.5502249E-01 12 8.6689090E-04 5.3151768E-01 13 -4.5353045E-06 3.2771229E-01 14 3.2546927E-05 -5.8689351E-06 15 1.4100895E-04 -2.5280927E-05 16 5.1521940E-04 -9.3063450E-05 17 1.4085462E-03 -2.5445856E-04 18 2.9694719E-03 -5.4599243E-04 19 4.7080335E-03 -8.7625518E-04 20 5.3169305E-03 -1.0161626E-03 21 4.3692816E-03 -8.4816226E-04 22 2.2740035E-03 -5.2434713E-04 23 4.6138363E-04 2.1591732E-04 24 1.7320374E-05 1.0396283E-03 25 2.2647416E-06 1.3883713E-03 26 -7.2653175E-09 5.1933739E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ -5.8633565E+01 -4.9292690E+00 -3.9444027E-01 ------------ ------------ ------------ 1 -9.2140010E-06 -2.4066504E-06 5.5588322E-07 2 -3.9953039E-05 -1.0438145E-05 2.4101099E-06 3 -2.1011410E-04 -5.4940302E-05 1.2692954E-05 4 -9.4926215E-04 -2.4830771E-04 5.7332256E-05 5 -3.8201919E-03 -1.0023208E-03 2.3165663E-04 6 -1.3488260E-02 -3.5609360E-03 8.2263148E-04 7 -4.1590377E-02 -1.1188068E-02 2.5912232E-03 8 -1.0955262E-01 -3.0710895E-02 7.1247448E-03 9 -2.3273295E-01 -7.1716570E-02 1.6792074E-02 10 -3.5642696E-01 -1.3425271E-01 3.1848902E-02 11 -3.0023251E-01 -1.6628365E-01 4.0974950E-02 12 -8.7529457E-02 -2.6067950E-02 5.8878338E-03 13 -5.0977760E-03 3.0130940E-01 -8.3663348E-02 14 -1.1747582E-03 5.4859768E-01 -2.0130457E-01 15 -6.6506608E-05 2.8242722E-01 -2.3253886E-01 16 -3.3794169E-05 1.0007911E-02 1.1293584E-01 17 1.2759840E-05 2.6235024E-03 6.6205636E-01 18 -1.5675259E-06 -6.2504873E-04 4.1456890E-01 19 -3.8875716E-05 -1.0142414E-05 2.3426474E-06 20 -1.0448146E-04 -2.7249316E-05 6.2905635E-06 21 -2.9459093E-04 -7.6884681E-05 1.7760905E-05 22 -7.2884748E-04 -1.9026482E-04 4.3923055E-05 23 -1.6440901E-03 -4.3049804E-04 9.9483031E-05 24 -3.3856556E-03 -8.9204900E-04 2.0604490E-04 25 -6.3306878E-03 -1.6998081E-03 3.9363295E-04 26 -1.0482185E-02 -2.9333718E-03 6.8043553E-04 27 -1.4426016E-02 -4.4383549E-03 1.0391029E-03 28 -1.4657268E-02 -5.5127045E-03 1.3076520E-03 29 -8.3292819E-03 -4.6071680E-03 1.1352023E-03 30 -1.6538376E-03 -4.9295521E-04 1.1142120E-04 31 -6.5716779E-05 3.8797276E-03 -1.0771481E-03 32 -1.0284622E-05 4.7972305E-03 -1.7601310E-03 33 -3.8779603E-07 1.6559082E-03 -1.3632569E-03 34 -1.3111699E-07 3.8548682E-05 4.3498125E-04 35 3.1760154E-08 6.4597253E-06 1.6295357E-03 36 -2.4719641E-09 -9.4957409E-07 6.2941260E-04 2P- 3P- -3.2282213E+00 -2.0991278E-01 ------------ ------------ 1 1.2714003E-04 2.2870797E-05 2 7.8206152E-04 1.4008916E-04 3 4.8738332E-03 8.7923218E-04 4 2.1812440E-02 3.9361157E-03 5 7.2302515E-02 1.3279102E-02 6 1.7293091E-01 3.2151812E-02 7 2.8625166E-01 5.4650771E-02 8 3.3906385E-01 6.5740852E-02 9 2.5337049E-01 5.8291703E-02 10 7.4380841E-02 -3.6333712E-02 11 4.1243966E-03 -2.5623002E-01 12 8.5268078E-04 -5.3168689E-01 13 -4.3634231E-06 -3.2571085E-01 14 3.4733321E-05 6.2547233E-06 15 1.4582942E-04 2.6116468E-05 16 5.2548366E-04 9.4803811E-05 17 1.4259796E-03 2.5731514E-04 18 2.9935475E-03 5.4980874E-04 19 4.7311621E-03 8.7964355E-04 20 5.3277711E-03 1.0172202E-03 21 4.3643132E-03 8.4622779E-04 22 2.2594496E-03 5.1992775E-04 23 4.5377531E-04 -2.2210105E-04 24 1.6190737E-05 -1.0446162E-03 25 2.0058891E-06 -1.3888335E-03 26 -2.5784378E-07 -5.1618870E-04 2P+ 3P+ -3.2108703E+00 -2.0937682E-01 ------------ ------------ 1 8.3888187E-05 -1.5127320E-05 2 7.0783262E-04 -1.2692089E-04 3 4.6605994E-03 -8.4190759E-04 4 2.1395931E-02 -3.8655982E-03 5 7.1494843E-02 -1.3146666E-02 6 1.7186164E-01 -3.1988939E-02 7 2.8542300E-01 -5.4552571E-02 8 3.3927463E-01 -6.5863536E-02 9 2.5481258E-01 -5.8758941E-02 10 7.5498001E-02 3.5336494E-02 11 4.2485584E-03 2.5502249E-01 12 8.6689083E-04 5.3151768E-01 13 -4.5352174E-06 3.2771230E-01 14 3.2546927E-05 -5.8689351E-06 15 1.4100895E-04 -2.5280927E-05 16 5.1521940E-04 -9.3063450E-05 17 1.4085462E-03 -2.5445856E-04 18 2.9694719E-03 -5.4599243E-04 19 4.7080335E-03 -8.7625518E-04 20 5.3169305E-03 -1.0161626E-03 21 4.3692816E-03 -8.4816225E-04 22 2.2740035E-03 -5.2434713E-04 23 4.6138363E-04 2.1591732E-04 24 1.7320376E-05 1.0396283E-03 25 2.2647414E-06 1.3883713E-03 26 -7.2651912E-09 5.1933739E-04 ******************** SILICON SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.2198070137E+07 0.1000000000E+01 0.1000000000E+01 2 0.4140071972E+06 0.1000000000E+01 0.1000000000E+01 3 0.9148390725E+05 0.1000000000E+01 0.1000000000E+01 4 0.2335338346E+05 0.1000000000E+01 0.1000000000E+01 5 0.6781426055E+04 0.1000000000E+01 0.1000000000E+01 6 0.2205749493E+04 0.1000000000E+01 0.1000000000E+01 7 0.7913217553E+03 0.1000000000E+01 0.1000000000E+01 8 0.3083256150E+03 0.1000000000E+01 0.1000000000E+01 9 0.1284764456E+03 0.1000000000E+01 0.1000000000E+01 10 0.5637579098E+02 0.1000000000E+01 0.1000000000E+01 11 0.2565162221E+02 0.1000000000E+01 0.1000000000E+01 12 0.1191757507E+02 0.1000000000E+01 0.1000000000E+01 13 0.5566851736E+01 0.1000000000E+01 0.1000000000E+01 14 0.2574411301E+01 0.1000000000E+01 0.1000000000E+01 15 0.1160621348E+01 0.1000000000E+01 0.1000000000E+01 16 0.5022793711E+00 0.1000000000E+01 0.1000000000E+01 17 0.2054660716E+00 0.1000000000E+01 0.1000000000E+01 18 0.7822988729E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.2946762025E+04 0.1000000000E+01 0.1000000000E+01 2 0.7186607004E+03 0.1000000000E+01 0.1000000000E+01 3 0.2127286194E+03 0.1000000000E+01 0.1000000000E+01 4 0.7408913388E+02 0.1000000000E+01 0.1000000000E+01 5 0.2943154513E+02 0.1000000000E+01 0.1000000000E+01 6 0.1292721388E+02 0.1000000000E+01 0.1000000000E+01 7 0.6086021892E+01 0.1000000000E+01 0.1000000000E+01 8 0.2977159949E+01 0.1000000000E+01 0.1000000000E+01 9 0.1466946534E+01 0.1000000000E+01 0.1000000000E+01 10 0.7057863265E+00 0.1000000000E+01 0.1000000000E+01 11 0.3214270411E+00 0.1000000000E+01 0.1000000000E+01 12 0.1343213887E+00 0.1000000000E+01 0.1000000000E+01 13 0.4993038409E-01 0.1000000000E+01 0.1000000000E+01 P+ 1 0.2946762025E+04 0.1000000000E+01 0.1000000000E+01 2 0.7186607004E+03 0.1000000000E+01 0.1000000000E+01 3 0.2127286194E+03 0.1000000000E+01 0.1000000000E+01 4 0.7408913388E+02 0.1000000000E+01 0.1000000000E+01 5 0.2943154513E+02 0.1000000000E+01 0.1000000000E+01 6 0.1292721388E+02 0.1000000000E+01 0.1000000000E+01 7 0.6086021892E+01 0.1000000000E+01 0.1000000000E+01 8 0.2977159949E+01 0.1000000000E+01 0.1000000000E+01 9 0.1466946534E+01 0.1000000000E+01 0.1000000000E+01 10 0.7057863265E+00 0.1000000000E+01 0.1000000000E+01 11 0.3214270411E+00 0.1000000000E+01 0.1000000000E+01 12 0.1343213887E+00 0.1000000000E+01 0.1000000000E+01 13 0.4993038409E-01 0.1000000000E+01 0.1000000000E+01 S+ P- P+ NUMBER OF CLOSED SHELLS 3 1 1 OPEN SHELLS 0 1 1 NUMBER OF OPEN SHELL CONFG 3 CONF OPEN SHELL OCCUPATION NUMBERS 1 0.0 2.0 0.0 2 0.0 1.0 1.0 3 0.0 0.0 2.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ -6.9000147E+01 -6.1899439E+00 -5.4553864E-01 ------------ ------------ ------------ 1 7.9596920E-06 -2.1303330E-06 -5.4692414E-07 2 3.3712338E-05 -9.0242676E-06 -2.3162502E-06 3 1.7546571E-04 -4.7025383E-05 -1.2075556E-05 4 7.9283106E-04 -2.1247553E-04 -5.4536795E-05 5 3.2057307E-03 -8.6188287E-04 -2.2139927E-04 6 1.1395464E-02 -3.0784507E-03 -7.9057849E-04 7 3.5472844E-02 -9.7507296E-03 -2.5096850E-03 8 9.5031464E-02 -2.7068677E-02 -6.9801618E-03 9 2.0845007E-01 -6.4673824E-02 -1.6819499E-02 10 3.4011454E-01 -1.2572322E-01 -3.3124467E-02 11 3.2641907E-01 -1.7230219E-01 -4.7050917E-02 12 1.2089477E-01 -6.7335938E-02 -1.8601916E-02 13 8.8850712E-03 2.4945814E-01 7.6961795E-02 14 1.7167696E-03 5.5954605E-01 2.2425512E-01 15 -1.5834910E-04 3.3165841E-01 2.7468463E-01 16 1.5914262E-04 1.7695355E-02 -1.3786655E-01 17 -7.0798812E-05 2.8767554E-03 -6.9066946E-01 18 1.4468448E-05 -5.6006970E-04 -3.8179261E-01 19 3.5690818E-05 -9.5414547E-06 -2.4495211E-06 20 9.8489892E-05 -2.6312555E-05 -6.7522368E-06 21 2.8057494E-04 -7.5037129E-05 -1.9265924E-05 22 7.0127501E-04 -1.8749496E-04 -4.8114858E-05 23 1.5937772E-03 -4.2749424E-04 -1.0979447E-04 24 3.3048760E-03 -8.9071283E-04 -2.2869934E-04 25 6.2346038E-03 -1.7099740E-03 -4.4004419E-04 26 1.0493300E-02 -2.9827157E-03 -7.6901917E-04 27 1.4908702E-02 -4.6168938E-03 -1.2005259E-03 28 1.6143749E-02 -5.9570731E-03 -1.5693118E-03 29 1.0461049E-02 -5.5132756E-03 -1.5053766E-03 30 2.6418724E-03 -1.4704703E-03 -4.0627916E-04 31 1.3266342E-04 3.7188181E-03 1.1471351E-03 32 1.7439806E-05 5.6740357E-03 2.2737357E-03 33 -1.0875241E-06 2.2583566E-03 1.8701542E-03 34 7.1680731E-07 7.9261823E-05 -6.1745282E-04 35 -2.0428281E-07 8.2443871E-06 -1.9785091E-03 36 2.5941014E-08 -9.9086259E-07 -6.7486043E-04 2P- 3P- -4.2778626E+00 -2.7909880E-01 ------------ ------------ 1 -1.3269876E-04 2.8197121E-05 2 -8.4248801E-04 1.7859362E-04 3 -5.3580466E-03 1.1424603E-03 4 -2.4096167E-02 5.1529648E-03 5 -7.8542428E-02 1.7111859E-02 6 -1.8142632E-01 4.0204784E-02 7 -2.9050864E-01 6.6178473E-02 8 -3.3511195E-01 7.8724193E-02 9 -2.3794328E-01 6.1785503E-02 10 -6.5042374E-02 -7.0219148E-02 11 -3.7360643E-03 -3.1587907E-01 12 -8.4718683E-04 -5.1853676E-01 13 -9.1056952E-05 -2.5741268E-01 14 -3.7898671E-05 8.0600826E-06 15 -1.6792438E-04 3.5591064E-05 16 -6.1603073E-04 1.3136041E-04 17 -1.6742054E-03 3.5802036E-04 18 -3.4602342E-03 7.5389288E-04 19 -5.3119803E-03 1.1771812E-03 20 -5.8406429E-03 1.3305957E-03 21 -4.7146457E-03 1.1076261E-03 22 -2.3491882E-03 6.1016755E-04 23 -4.4482145E-04 -4.8139229E-04 24 -1.6406637E-05 -1.4611921E-03 25 -2.2269182E-06 -1.5505328E-03 26 1.9865818E-07 -4.6931957E-04 2P+ 3P+ -4.2527336E+00 -2.7795215E-01 ------------ ------------ 1 -8.1939726E-05 -1.7441388E-05 2 -7.4839679E-04 -1.5873582E-04 3 -5.0929325E-03 -1.0868343E-03 4 -2.3573100E-02 -5.0445569E-03 5 -7.7559939E-02 -1.6909386E-02 6 -1.8019229E-01 -3.9954375E-02 7 -2.8963791E-01 -6.6018612E-02 8 -3.3549867E-01 -7.8873824E-02 9 -2.3961644E-01 -6.2476452E-02 10 -6.6185601E-02 6.8780584E-02 11 -3.8533547E-03 3.1435744E-01 12 -8.6346803E-04 5.1878695E-01 13 -9.2614950E-05 2.5990079E-01 14 -3.5098226E-05 -7.4702896E-06 15 -1.6145820E-04 -3.4239941E-05 16 -6.0223878E-04 -1.2850277E-04 17 -1.6509478E-03 -3.5325368E-04 18 -3.4290993E-03 -7.4752255E-04 19 -5.2837217E-03 -1.1714608E-03 20 -5.8289955E-03 -1.3285311E-03 21 -4.7229849E-03 -1.1102599E-03 22 -2.3679695E-03 -6.1737166E-04 23 -4.5369639E-04 4.7140643E-04 24 -1.7824524E-05 1.4540564E-03 25 -2.5822949E-06 1.5512515E-03 26 -1.6875796E-07 4.7381888E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ -6.9000147E+01 -6.1899439E+00 -5.4553864E-01 ------------ ------------ ------------ 1 7.9597222E-06 -2.1303411E-06 -5.4692621E-07 2 3.3712316E-05 -9.0242618E-06 -2.3162487E-06 3 1.7546573E-04 -4.7025388E-05 -1.2075557E-05 4 7.9283105E-04 -2.1247553E-04 -5.4536794E-05 5 3.2057307E-03 -8.6188288E-04 -2.2139927E-04 6 1.1395464E-02 -3.0784506E-03 -7.9057849E-04 7 3.5472844E-02 -9.7507296E-03 -2.5096850E-03 8 9.5031464E-02 -2.7068677E-02 -6.9801618E-03 9 2.0845007E-01 -6.4673824E-02 -1.6819499E-02 10 3.4011454E-01 -1.2572322E-01 -3.3124467E-02 11 3.2641907E-01 -1.7230219E-01 -4.7050917E-02 12 1.2089477E-01 -6.7335937E-02 -1.8601916E-02 13 8.8850707E-03 2.4945814E-01 7.6961795E-02 14 1.7167700E-03 5.5954605E-01 2.2425512E-01 15 -1.5834945E-04 3.3165841E-01 2.7468463E-01 16 1.5914312E-04 1.7695355E-02 -1.3786655E-01 17 -7.0799202E-05 2.8767552E-03 -6.9066946E-01 18 1.4468606E-05 -5.6006958E-04 -3.8179261E-01 19 3.5691279E-05 -9.5415779E-06 -2.4495527E-06 20 9.8489690E-05 -2.6312501E-05 -6.7522230E-06 21 2.8057503E-04 -7.5037154E-05 -1.9265930E-05 22 7.0127496E-04 -1.8749495E-04 -4.8114855E-05 23 1.5937773E-03 -4.2749425E-04 -1.0979448E-04 24 3.3048760E-03 -8.9071282E-04 -2.2869934E-04 25 6.2346038E-03 -1.7099740E-03 -4.4004419E-04 26 1.0493300E-02 -2.9827157E-03 -7.6901917E-04 27 1.4908702E-02 -4.6168938E-03 -1.2005259E-03 28 1.6143749E-02 -5.9570731E-03 -1.5693118E-03 29 1.0461049E-02 -5.5132756E-03 -1.5053766E-03 30 2.6418724E-03 -1.4704703E-03 -4.0627916E-04 31 1.3266342E-04 3.7188181E-03 1.1471351E-03 32 1.7439810E-05 5.6740357E-03 2.2737357E-03 33 -1.0875262E-06 2.2583566E-03 1.8701542E-03 34 7.1680932E-07 7.9261825E-05 -6.1745283E-04 35 -2.0428381E-07 8.2443863E-06 -1.9785091E-03 36 2.5941158E-08 -9.9086237E-07 -6.7486043E-04 2P- 3P- -4.2778626E+00 -2.7909880E-01 ------------ ------------ 1 -1.3269876E-04 2.8197121E-05 2 -8.4248801E-04 1.7859362E-04 3 -5.3580466E-03 1.1424603E-03 4 -2.4096167E-02 5.1529648E-03 5 -7.8542428E-02 1.7111859E-02 6 -1.8142632E-01 4.0204784E-02 7 -2.9050864E-01 6.6178473E-02 8 -3.3511195E-01 7.8724192E-02 9 -2.3794328E-01 6.1785503E-02 10 -6.5042373E-02 -7.0219148E-02 11 -3.7360647E-03 -3.1587907E-01 12 -8.4718646E-04 -5.1853676E-01 13 -9.1057182E-05 -2.5741268E-01 14 -3.7898671E-05 8.0600826E-06 15 -1.6792438E-04 3.5591064E-05 16 -6.1603073E-04 1.3136041E-04 17 -1.6742054E-03 3.5802036E-04 18 -3.4602342E-03 7.5389288E-04 19 -5.3119803E-03 1.1771812E-03 20 -5.8406429E-03 1.3305957E-03 21 -4.7146457E-03 1.1076261E-03 22 -2.3491882E-03 6.1016755E-04 23 -4.4482144E-04 -4.8139229E-04 24 -1.6406639E-05 -1.4611921E-03 25 -2.2269171E-06 -1.5505328E-03 26 1.9865778E-07 -4.6931957E-04 2P+ 3P+ -4.2527336E+00 -2.7795215E-01 ------------ ------------ 1 -8.1939726E-05 -1.7441388E-05 2 -7.4839679E-04 -1.5873582E-04 3 -5.0929325E-03 -1.0868343E-03 4 -2.3573100E-02 -5.0445569E-03 5 -7.7559939E-02 -1.6909386E-02 6 -1.8019229E-01 -3.9954375E-02 7 -2.8963791E-01 -6.6018612E-02 8 -3.3549867E-01 -7.8873824E-02 9 -2.3961644E-01 -6.2476452E-02 10 -6.6185601E-02 6.8780583E-02 11 -3.8533546E-03 3.1435744E-01 12 -8.6346812E-04 5.1878695E-01 13 -9.2614832E-05 2.5990079E-01 14 -3.5098226E-05 -7.4702896E-06 15 -1.6145820E-04 -3.4239941E-05 16 -6.0223878E-04 -1.2850277E-04 17 -1.6509478E-03 -3.5325368E-04 18 -3.4290993E-03 -7.4752255E-04 19 -5.2837217E-03 -1.1714608E-03 20 -5.8289955E-03 -1.3285311E-03 21 -4.7229849E-03 -1.1102599E-03 22 -2.3679695E-03 -6.1737165E-04 23 -4.5369639E-04 4.7140642E-04 24 -1.7824524E-05 1.4540564E-03 25 -2.5822952E-06 1.5512515E-03 26 -1.6875775E-07 4.7381889E-04 ******************** PHOSPHORUS SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.3012000519E+07 0.1000000000E+01 0.1000000000E+01 2 0.5205900218E+06 0.1000000000E+01 0.1000000000E+01 3 0.1077827623E+06 0.1000000000E+01 0.1000000000E+01 4 0.2626653106E+05 0.1000000000E+01 0.1000000000E+01 5 0.7403606729E+04 0.1000000000E+01 0.1000000000E+01 6 0.2371692830E+04 0.1000000000E+01 0.1000000000E+01 7 0.8484676466E+03 0.1000000000E+01 0.1000000000E+01 8 0.3330896577E+03 0.1000000000E+01 0.1000000000E+01 9 0.1410013575E+03 0.1000000000E+01 0.1000000000E+01 10 0.6324249455E+02 0.1000000000E+01 0.1000000000E+01 11 0.2953286033E+02 0.1000000000E+01 0.1000000000E+01 12 0.1410912629E+02 0.1000000000E+01 0.1000000000E+01 13 0.6776104396E+01 0.1000000000E+01 0.1000000000E+01 14 0.3214642506E+01 0.1000000000E+01 0.1000000000E+01 15 0.1480284436E+01 0.1000000000E+01 0.1000000000E+01 16 0.6501369167E+00 0.1000000000E+01 0.1000000000E+01 17 0.2676078902E+00 0.1000000000E+01 0.1000000000E+01 18 0.1014412757E+00 0.1000000000E+01 0.1000000000E+01 P- 1 0.3304909198E+04 0.1000000000E+01 0.1000000000E+01 2 0.8697861010E+03 0.1000000000E+01 0.1000000000E+01 3 0.2692129424E+03 0.1000000000E+01 0.1000000000E+01 4 0.9555093579E+02 0.1000000000E+01 0.1000000000E+01 5 0.3791879190E+02 0.1000000000E+01 0.1000000000E+01 6 0.1640512622E+02 0.1000000000E+01 0.1000000000E+01 7 0.7544582215E+01 0.1000000000E+01 0.1000000000E+01 8 0.3596220805E+01 0.1000000000E+01 0.1000000000E+01 9 0.1732359557E+01 0.1000000000E+01 0.1000000000E+01 10 0.8223094017E+00 0.1000000000E+01 0.1000000000E+01 11 0.3750274063E+00 0.1000000000E+01 0.1000000000E+01 12 0.1602309056E+00 0.1000000000E+01 0.1000000000E+01 13 0.6253311991E-01 0.1000000000E+01 0.1000000000E+01 P+ 1 0.3304909198E+04 0.1000000000E+01 0.1000000000E+01 2 0.8697861010E+03 0.1000000000E+01 0.1000000000E+01 3 0.2692129424E+03 0.1000000000E+01 0.1000000000E+01 4 0.9555093579E+02 0.1000000000E+01 0.1000000000E+01 5 0.3791879190E+02 0.1000000000E+01 0.1000000000E+01 6 0.1640512622E+02 0.1000000000E+01 0.1000000000E+01 7 0.7544582215E+01 0.1000000000E+01 0.1000000000E+01 8 0.3596220805E+01 0.1000000000E+01 0.1000000000E+01 9 0.1732359557E+01 0.1000000000E+01 0.1000000000E+01 10 0.8223094017E+00 0.1000000000E+01 0.1000000000E+01 11 0.3750274063E+00 0.1000000000E+01 0.1000000000E+01 12 0.1602309056E+00 0.1000000000E+01 0.1000000000E+01 13 0.6253311991E-01 0.1000000000E+01 0.1000000000E+01 S+ P- P+ NUMBER OF CLOSED SHELLS 3 1 1 OPEN SHELLS 0 1 1 NUMBER OF OPEN SHELL CONFG 3 CONF OPEN SHELL OCCUPATION NUMBERS 1 0.0 2.0 1.0 2 0.0 1.0 2.0 3 0.0 0.0 3.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ -8.0230177E+01 -7.5664586E+00 -7.0945342E-01 ------------ ------------ ------------ 1 7.4299347E-06 2.0300242E-06 -5.5983886E-07 2 3.3806399E-05 9.2404112E-06 -2.5478399E-06 3 1.8167026E-04 4.9714185E-05 -1.3713362E-05 4 8.5053587E-04 2.3280088E-04 -6.4192213E-05 5 3.5073256E-03 9.6310475E-04 -2.6577227E-04 6 1.2516000E-02 3.4557621E-03 -9.5348438E-04 7 3.8501255E-02 1.0829459E-02 -2.9952250E-03 8 1.0040324E-01 2.9341228E-02 -8.1334733E-03 9 2.1237156E-01 6.7860843E-02 -1.8989592E-02 10 3.3342726E-01 1.2727403E-01 -3.6115007E-02 11 3.1493263E-01 1.7023990E-01 -5.0174620E-02 12 1.2278580E-01 7.1523438E-02 -2.1357130E-02 13 1.1056228E-02 -2.2684067E-01 7.5432168E-02 14 1.5818200E-03 -5.5274263E-01 2.4015259E-01 15 -5.8451233E-05 -3.5539624E-01 2.9913984E-01 16 1.0695675E-04 -2.6277562E-02 -1.4837801E-01 17 -5.7787930E-05 -2.5325414E-03 -7.0664604E-01 18 8.5211193E-06 2.8885773E-04 -3.6910521E-01 19 3.4662350E-05 9.4593088E-06 -2.6085815E-06 20 1.0432400E-04 2.8454524E-05 -7.8438998E-06 21 3.0747142E-04 8.3938849E-05 -2.3149956E-05 22 7.8867630E-04 2.1528631E-04 -5.9347832E-05 23 1.8128044E-03 4.9644596E-04 -1.3696569E-04 24 3.7551990E-03 1.0340411E-03 -2.8523523E-04 25 6.9999151E-03 1.9638829E-03 -5.4305729E-04 26 1.1518534E-02 3.3580722E-03 -9.3067558E-04 27 1.5911132E-02 5.0731742E-03 -1.4193812E-03 28 1.6764132E-02 6.3861431E-03 -1.8118267E-03 29 1.0831747E-02 5.8446194E-03 -1.7223749E-03 30 2.9202180E-03 1.6995822E-03 -5.0756995E-04 31 1.8219300E-04 -3.7305567E-03 1.2402835E-03 32 1.7957428E-05 -6.2633621E-03 2.7208090E-03 33 -4.5839461E-07 -2.7330923E-03 2.3000950E-03 34 5.4879876E-07 -1.3391952E-04 -7.5602738E-04 35 -1.9031867E-07 -8.2835309E-06 -2.3102026E-03 36 1.7483786E-08 5.8238332E-07 -7.4294894E-04 2P- 3P- -5.4412282E+00 -3.5147696E-01 ------------ ------------ 1 1.4698886E-04 3.4730011E-05 2 7.7867099E-04 1.8394234E-04 3 4.7007760E-03 1.1145588E-03 4 2.1078045E-02 5.0232821E-03 5 7.1699794E-02 1.7367223E-02 6 1.7707530E-01 4.3897499E-02 7 3.0102194E-01 7.6550202E-02 8 3.5347068E-01 9.4601105E-02 9 2.3265106E-01 6.0195278E-02 10 5.1844149E-02 -1.1803832E-01 11 2.9144332E-03 -3.7063134E-01 12 7.3405358E-04 -4.7507156E-01 13 1.8267895E-04 -2.0495136E-01 14 4.2201537E-05 9.9755381E-06 15 1.6849913E-04 3.9800679E-05 16 6.0208761E-04 1.4276157E-04 17 1.6583232E-03 3.9520165E-04 18 3.5804785E-03 8.6728860E-04 19 5.8376998E-03 1.4472246E-03 20 6.7366851E-03 1.7132746E-03 21 5.4649581E-03 1.4627380E-03 22 2.4955195E-03 6.4588415E-04 23 3.8228087E-04 -8.7340259E-04 24 1.3407226E-05 -1.8519189E-03 25 2.0479283E-06 -1.5515387E-03 26 -1.2983866E-07 -4.1820008E-04 2P+ 3P+ -5.4059248E+00 -3.4940564E-01 ------------ ------------ 1 8.5639886E-05 -2.0250585E-05 2 6.7981430E-04 -1.6063168E-04 3 4.4113282E-03 -1.0463089E-03 4 2.0518313E-02 -4.8912232E-03 5 7.0602596E-02 -1.7105465E-02 6 1.7562936E-01 -4.3545040E-02 7 2.9995396E-01 -7.6287514E-02 8 3.5402299E-01 -9.4783771E-02 9 2.3466633E-01 -6.1219090E-02 10 5.2971807E-02 1.1603242E-01 11 2.9930378E-03 3.6900180E-01 12 7.5622075E-04 4.7585038E-01 13 1.8488792E-04 2.0784814E-01 14 3.8659432E-05 -9.1400347E-06 15 1.6095555E-04 -3.8024539E-05 16 5.8593911E-04 -1.3895431E-04 17 1.6307033E-03 -3.8867166E-04 18 3.5418688E-03 -8.5799582E-04 19 5.8007197E-03 -1.4380383E-03 20 6.7209063E-03 -1.7091610E-03 21 5.4774939E-03 -1.4663606E-03 22 2.5201930E-03 -6.5741820E-04 23 3.9195848E-04 8.5840683E-04 24 1.4955098E-05 1.8436442E-03 25 2.4699596E-06 1.5540492E-03 26 3.7715940E-07 4.2405701E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ -8.0230177E+01 -7.5664586E+00 -7.0945342E-01 ------------ ------------ ------------ 1 7.4299764E-06 2.0300356E-06 -5.5984200E-07 2 3.3806377E-05 9.2404052E-06 -2.5478382E-06 3 1.8167028E-04 4.9714189E-05 -1.3713363E-05 4 8.5053586E-04 2.3280088E-04 -6.4192212E-05 5 3.5073256E-03 9.6310475E-04 -2.6577227E-04 6 1.2516000E-02 3.4557621E-03 -9.5348439E-04 7 3.8501255E-02 1.0829459E-02 -2.9952250E-03 8 1.0040324E-01 2.9341228E-02 -8.1334734E-03 9 2.1237156E-01 6.7860843E-02 -1.8989592E-02 10 3.3342726E-01 1.2727403E-01 -3.6115007E-02 11 3.1493263E-01 1.7023990E-01 -5.0174620E-02 12 1.2278580E-01 7.1523437E-02 -2.1357130E-02 13 1.1056228E-02 -2.2684067E-01 7.5432168E-02 14 1.5818200E-03 -5.5274263E-01 2.4015259E-01 15 -5.8451233E-05 -3.5539624E-01 2.9913984E-01 16 1.0695674E-04 -2.6277563E-02 -1.4837801E-01 17 -5.7787927E-05 -2.5325413E-03 -7.0664604E-01 18 8.5211001E-06 2.8885727E-04 -3.6910521E-01 19 3.4663229E-05 9.4595489E-06 -2.6086477E-06 20 1.0432365E-04 2.8454429E-05 -7.8438736E-06 21 3.0747157E-04 8.3938891E-05 -2.3149967E-05 22 7.8867623E-04 2.1528629E-04 -5.9347827E-05 23 1.8128045E-03 4.9644598E-04 -1.3696570E-04 24 3.7551989E-03 1.0340411E-03 -2.8523523E-04 25 6.9999152E-03 1.9638829E-03 -5.4305729E-04 26 1.1518534E-02 3.3580722E-03 -9.3067558E-04 27 1.5911132E-02 5.0731742E-03 -1.4193812E-03 28 1.6764132E-02 6.3861431E-03 -1.8118267E-03 29 1.0831747E-02 5.8446194E-03 -1.7223750E-03 30 2.9202180E-03 1.6995821E-03 -5.0756995E-04 31 1.8219300E-04 -3.7305566E-03 1.2402835E-03 32 1.7957426E-05 -6.2633621E-03 2.7208090E-03 33 -4.5839367E-07 -2.7330923E-03 2.3000950E-03 34 5.4879829E-07 -1.3391952E-04 -7.5602738E-04 35 -1.9031850E-07 -8.2835307E-06 -2.3102026E-03 36 1.7483736E-08 5.8238246E-07 -7.4294893E-04 2P- 3P- -5.4412282E+00 -3.5147696E-01 ------------ ------------ 1 1.4698886E-04 3.4730011E-05 2 7.7867099E-04 1.8394234E-04 3 4.7007760E-03 1.1145588E-03 4 2.1078045E-02 5.0232822E-03 5 7.1699794E-02 1.7367223E-02 6 1.7707530E-01 4.3897500E-02 7 3.0102194E-01 7.6550203E-02 8 3.5347068E-01 9.4601105E-02 9 2.3265106E-01 6.0195278E-02 10 5.1844148E-02 -1.1803832E-01 11 2.9144341E-03 -3.7063134E-01 12 7.3405351E-04 -4.7507156E-01 13 1.8267899E-04 -2.0495136E-01 14 4.2201537E-05 9.9755381E-06 15 1.6849913E-04 3.9800679E-05 16 6.0208761E-04 1.4276157E-04 17 1.6583232E-03 3.9520165E-04 18 3.5804785E-03 8.6728860E-04 19 5.8376998E-03 1.4472246E-03 20 6.7366851E-03 1.7132746E-03 21 5.4649581E-03 1.4627380E-03 22 2.4955195E-03 6.4588415E-04 23 3.8228086E-04 -8.7340259E-04 24 1.3407231E-05 -1.8519189E-03 25 2.0479279E-06 -1.5515387E-03 26 -1.2983858E-07 -4.1820008E-04 2P+ 3P+ -5.4059248E+00 -3.4940564E-01 ------------ ------------ 1 8.5639886E-05 -2.0250585E-05 2 6.7981430E-04 -1.6063168E-04 3 4.4113282E-03 -1.0463089E-03 4 2.0518313E-02 -4.8912232E-03 5 7.0602596E-02 -1.7105465E-02 6 1.7562936E-01 -4.3545040E-02 7 2.9995396E-01 -7.6287513E-02 8 3.5402299E-01 -9.4783771E-02 9 2.3466633E-01 -6.1219089E-02 10 5.2971807E-02 1.1603242E-01 11 2.9930378E-03 3.6900180E-01 12 7.5622062E-04 4.7585038E-01 13 1.8488795E-04 2.0784814E-01 14 3.8659432E-05 -9.1400347E-06 15 1.6095555E-04 -3.8024539E-05 16 5.8593911E-04 -1.3895431E-04 17 1.6307033E-03 -3.8867166E-04 18 3.5418688E-03 -8.5799582E-04 19 5.8007197E-03 -1.4380383E-03 20 6.7209063E-03 -1.7091610E-03 21 5.4774939E-03 -1.4663606E-03 22 2.5201930E-03 -6.5741819E-04 23 3.9195848E-04 8.5840682E-04 24 1.4955098E-05 1.8436442E-03 25 2.4699591E-06 1.5540492E-03 26 3.7715946E-07 4.2405701E-04 ******************** SULPHUR SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.3901872133E+07 0.1000000000E+01 0.1000000000E+01 2 0.6788238906E+06 0.1000000000E+01 0.1000000000E+01 3 0.1407802211E+06 0.1000000000E+01 0.1000000000E+01 4 0.3422456333E+05 0.1000000000E+01 0.1000000000E+01 5 0.9590853233E+04 0.1000000000E+01 0.1000000000E+01 6 0.3046568451E+04 0.1000000000E+01 0.1000000000E+01 7 0.1078723923E+04 0.1000000000E+01 0.1000000000E+01 8 0.4186650078E+03 0.1000000000E+01 0.1000000000E+01 9 0.1751424053E+03 0.1000000000E+01 0.1000000000E+01 10 0.7765967293E+02 0.1000000000E+01 0.1000000000E+01 11 0.3589142609E+02 0.1000000000E+01 0.1000000000E+01 12 0.1700153334E+02 0.1000000000E+01 0.1000000000E+01 13 0.8117064484E+01 0.1000000000E+01 0.1000000000E+01 14 0.3840915366E+01 0.1000000000E+01 0.1000000000E+01 15 0.1771359150E+01 0.1000000000E+01 0.1000000000E+01 16 0.7829354670E+00 0.1000000000E+01 0.1000000000E+01 17 0.3261400044E+00 0.1000000000E+01 0.1000000000E+01 18 0.1259076884E+00 0.1000000000E+01 0.1000000000E+01 P- 1 0.4498593800E+04 0.1000000000E+01 0.1000000000E+01 2 0.1135017372E+04 0.1000000000E+01 0.1000000000E+01 3 0.3408587880E+03 0.1000000000E+01 0.1000000000E+01 4 0.1185739666E+03 0.1000000000E+01 0.1000000000E+01 5 0.4649900658E+02 0.1000000000E+01 0.1000000000E+01 6 0.2000479394E+02 0.1000000000E+01 0.1000000000E+01 7 0.9188765715E+01 0.1000000000E+01 0.1000000000E+01 8 0.4385403624E+01 0.1000000000E+01 0.1000000000E+01 9 0.2116351828E+01 0.1000000000E+01 0.1000000000E+01 10 0.1005052331E+01 0.1000000000E+01 0.1000000000E+01 11 0.4570972433E+00 0.1000000000E+01 0.1000000000E+01 12 0.1937511351E+00 0.1000000000E+01 0.1000000000E+01 13 0.7448901695E-01 0.1000000000E+01 0.1000000000E+01 P+ 1 0.4498593800E+04 0.1000000000E+01 0.1000000000E+01 2 0.1135017372E+04 0.1000000000E+01 0.1000000000E+01 3 0.3408587880E+03 0.1000000000E+01 0.1000000000E+01 4 0.1185739666E+03 0.1000000000E+01 0.1000000000E+01 5 0.4649900658E+02 0.1000000000E+01 0.1000000000E+01 6 0.2000479394E+02 0.1000000000E+01 0.1000000000E+01 7 0.9188765715E+01 0.1000000000E+01 0.1000000000E+01 8 0.4385403624E+01 0.1000000000E+01 0.1000000000E+01 9 0.2116351828E+01 0.1000000000E+01 0.1000000000E+01 10 0.1005052331E+01 0.1000000000E+01 0.1000000000E+01 11 0.4570972433E+00 0.1000000000E+01 0.1000000000E+01 12 0.1937511351E+00 0.1000000000E+01 0.1000000000E+01 13 0.7448901695E-01 0.1000000000E+01 0.1000000000E+01 S+ P- P+ NUMBER OF CLOSED SHELLS 3 1 1 OPEN SHELLS 0 1 1 NUMBER OF OPEN SHELL CONFG 3 CONF OPEN SHELL OCCUPATION NUMBERS 1 0.0 2.0 2.0 2 0.0 1.0 3.0 3 0.0 0.0 4.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ -9.2326424E+01 -9.0612987E+00 -8.8734939E-01 ------------ ------------ ------------ 1 -7.1058683E-06 1.9763068E-06 5.7443897E-07 2 -3.0624435E-05 8.5218933E-06 2.4763829E-06 3 -1.6008733E-04 4.4603031E-05 1.2968318E-05 4 -7.3939818E-04 2.0605647E-04 5.9879338E-05 5 -3.0501392E-03 8.5260214E-04 2.4800067E-04 6 -1.0986665E-02 3.0860402E-03 8.9728494E-04 7 -3.4362549E-02 9.8175177E-03 2.8620477E-03 8 -9.1797236E-02 2.7168719E-02 7.9345874E-03 9 -2.0051215E-01 6.4532243E-02 1.9031428E-02 10 -3.2833744E-01 1.2502604E-01 3.7360009E-02 11 -3.2851247E-01 1.7499688E-01 5.4388844E-02 12 -1.3825523E-01 8.7225051E-02 2.7614126E-02 13 -1.3420370E-02 -2.1628012E-01 -7.5827443E-02 14 -1.7009968E-03 -5.6240767E-01 -2.6315506E-01 15 1.4887697E-04 -3.6017968E-01 -3.1489571E-01 16 -1.3681382E-04 -2.6304890E-02 1.8807811E-01 17 8.0144634E-05 -3.2220077E-03 7.0630889E-01 18 -1.2061064E-05 3.0722577E-04 3.4847313E-01 19 -3.3539733E-05 9.3169783E-06 2.7080689E-06 20 -1.0080462E-04 2.7986691E-05 8.1303717E-06 21 -2.9748644E-04 8.2666605E-05 2.4030748E-05 22 -7.6639083E-04 2.1292832E-04 6.1857290E-05 23 -1.7744872E-03 4.9449226E-04 1.4379809E-04 24 -3.7144871E-03 1.0401279E-03 3.0233475E-04 25 -7.0235414E-03 2.0007479E-03 5.8311772E-04 26 -1.1790236E-02 3.4798371E-03 1.0160248E-03 27 -1.6733524E-02 5.3719063E-03 1.5839059E-03 28 -1.8291510E-02 6.9488151E-03 2.0760197E-03 29 -1.2457667E-02 6.6222245E-03 2.0578780E-03 30 -3.6103907E-03 2.2750604E-03 7.2031697E-04 31 -2.4211823E-04 -3.8925224E-03 -1.3643541E-03 32 -2.1115937E-05 -6.9660974E-03 -3.2588193E-03 33 1.2666093E-06 -3.0301032E-03 -2.6486377E-03 34 -7.7101932E-07 -1.4711651E-04 1.0516414E-03 35 2.9149388E-07 -1.1635150E-05 2.5491571E-03 36 -2.7576363E-08 6.9047726E-07 7.8144486E-04 2P- 3P- -6.7205597E+00 -4.2804936E-01 ------------ ------------ 1 -1.3052623E-04 3.3249152E-05 2 -6.8579632E-04 1.7470811E-04 3 -4.2377442E-03 1.0833222E-03 4 -1.9610471E-02 5.0409501E-03 5 -6.8380329E-02 1.7869420E-02 6 -1.7275122E-01 4.6301976E-02 7 -3.0025741E-01 8.2775186E-02 8 -3.5836618E-01 1.0436347E-01 9 -2.3488449E-01 6.1537798E-02 10 -5.0841441E-02 -1.4249812E-01 11 -2.9374676E-03 -3.9577066E-01 12 -8.3180521E-04 -4.6219242E-01 13 -2.1873594E-04 -1.7304686E-01 14 -3.8980535E-05 9.9342375E-06 15 -1.6401905E-04 4.1781237E-05 16 -6.0433907E-04 1.5449811E-04 17 -1.7127477E-03 4.4026083E-04 18 -3.7765240E-03 9.8691958E-04 19 -6.2855946E-03 1.6847663E-03 20 -7.4138888E-03 2.0440471E-03 21 -6.1175665E-03 1.7817511E-03 22 -2.7842713E-03 7.2971053E-04 23 -4.1409130E-04 -1.1656754E-03 24 -1.4701773E-05 -2.1832304E-03 25 -2.4965670E-06 -1.6598900E-03 26 1.6227078E-07 -3.8540078E-04 2P+ 3P+ -6.6722344E+00 -4.2465976E-01 ------------ ------------ 1 6.7102722E-05 1.7100720E-05 2 5.7589715E-04 1.4669020E-04 3 3.9213929E-03 1.0024266E-03 4 1.8981342E-02 4.8785215E-03 5 6.7148477E-02 1.7544557E-02 6 1.7109218E-01 4.5843142E-02 7 2.9901173E-01 8.2407543E-02 8 3.5898646E-01 1.0453947E-01 9 2.3719113E-01 6.2861577E-02 10 5.2084877E-02 -1.3999404E-01 11 3.0214070E-03 -3.9388783E-01 12 8.5752855E-04 -4.6354084E-01 13 2.2297708E-04 -1.7633372E-01 14 3.5015251E-05 8.9216019E-06 15 1.5515021E-04 3.9509841E-05 16 5.8505473E-04 1.4952655E-04 17 1.6791461E-03 4.3148359E-04 18 3.7289898E-03 9.7413610E-04 19 6.2392565E-03 1.6715133E-03 20 7.3935668E-03 2.0374039E-03 21 6.1335327E-03 1.7859071E-03 22 2.8155812E-03 7.4615144E-04 23 4.2608423E-04 -1.1449795E-03 24 1.6668201E-05 -2.1726718E-03 25 3.0795223E-06 -1.6646844E-03 26 4.9655948E-07 -3.9264976E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ -9.2326424E+01 -9.0612987E+00 -8.8734939E-01 ------------ ------------ ------------ 1 -7.1059202E-06 1.9763212E-06 5.7444316E-07 2 -3.0624418E-05 8.5218883E-06 2.4763815E-06 3 -1.6008735E-04 4.4603034E-05 1.2968318E-05 4 -7.3939818E-04 2.0605647E-04 5.9879338E-05 5 -3.0501392E-03 8.5260214E-04 2.4800067E-04 6 -1.0986665E-02 3.0860402E-03 8.9728494E-04 7 -3.4362549E-02 9.8175177E-03 2.8620477E-03 8 -9.1797236E-02 2.7168719E-02 7.9345874E-03 9 -2.0051215E-01 6.4532243E-02 1.9031428E-02 10 -3.2833744E-01 1.2502604E-01 3.7360009E-02 11 -3.2851247E-01 1.7499688E-01 5.4388844E-02 12 -1.3825523E-01 8.7225051E-02 2.7614126E-02 13 -1.3420370E-02 -2.1628012E-01 -7.5827443E-02 14 -1.7009973E-03 -5.6240767E-01 -2.6315506E-01 15 1.4887766E-04 -3.6017968E-01 -3.1489571E-01 16 -1.3681436E-04 -2.6304890E-02 1.8807811E-01 17 8.0144841E-05 -3.2220078E-03 7.0630889E-01 18 -1.2061047E-05 3.0722575E-04 3.4847313E-01 19 -3.3541219E-05 9.3173909E-06 2.7081888E-06 20 -1.0080403E-04 2.7986527E-05 8.1303240E-06 21 -2.9748670E-04 8.2666678E-05 2.4030769E-05 22 -7.6639070E-04 2.1292828E-04 6.1857279E-05 23 -1.7744873E-03 4.9449228E-04 1.4379809E-04 24 -3.7144871E-03 1.0401279E-03 3.0233474E-04 25 -7.0235414E-03 2.0007479E-03 5.8311772E-04 26 -1.1790236E-02 3.4798371E-03 1.0160248E-03 27 -1.6733524E-02 5.3719063E-03 1.5839059E-03 28 -1.8291510E-02 6.9488151E-03 2.0760197E-03 29 -1.2457667E-02 6.6222245E-03 2.0578780E-03 30 -3.6103907E-03 2.2750604E-03 7.2031697E-04 31 -2.4211822E-04 -3.8925224E-03 -1.3643541E-03 32 -2.1115940E-05 -6.9660974E-03 -3.2588193E-03 33 1.2666134E-06 -3.0301032E-03 -2.6486377E-03 34 -7.7102154E-07 -1.4711651E-04 1.0516414E-03 35 2.9149434E-07 -1.1635150E-05 2.5491571E-03 36 -2.7576384E-08 6.9047720E-07 7.8144486E-04 2P- 3P- -6.7205597E+00 -4.2804936E-01 ------------ ------------ 1 -1.3052623E-04 3.3249152E-05 2 -6.8579632E-04 1.7470811E-04 3 -4.2377442E-03 1.0833222E-03 4 -1.9610471E-02 5.0409501E-03 5 -6.8380329E-02 1.7869420E-02 6 -1.7275122E-01 4.6301976E-02 7 -3.0025741E-01 8.2775186E-02 8 -3.5836618E-01 1.0436347E-01 9 -2.3488449E-01 6.1537798E-02 10 -5.0841441E-02 -1.4249812E-01 11 -2.9374674E-03 -3.9577066E-01 12 -8.3180529E-04 -4.6219242E-01 13 -2.1873591E-04 -1.7304686E-01 14 -3.8980535E-05 9.9342375E-06 15 -1.6401905E-04 4.1781237E-05 16 -6.0433907E-04 1.5449811E-04 17 -1.7127477E-03 4.4026083E-04 18 -3.7765240E-03 9.8691958E-04 19 -6.2855946E-03 1.6847663E-03 20 -7.4138888E-03 2.0440471E-03 21 -6.1175665E-03 1.7817511E-03 22 -2.7842713E-03 7.2971053E-04 23 -4.1409130E-04 -1.1656754E-03 24 -1.4701772E-05 -2.1832304E-03 25 -2.4965674E-06 -1.6598900E-03 26 1.6227084E-07 -3.8540078E-04 2P+ 3P+ -6.6722344E+00 -4.2465976E-01 ------------ ------------ 1 6.7102722E-05 1.7100719E-05 2 5.7589715E-04 1.4669020E-04 3 3.9213929E-03 1.0024266E-03 4 1.8981342E-02 4.8785215E-03 5 6.7148477E-02 1.7544557E-02 6 1.7109218E-01 4.5843142E-02 7 2.9901173E-01 8.2407543E-02 8 3.5898646E-01 1.0453947E-01 9 2.3719113E-01 6.2861576E-02 10 5.2084877E-02 -1.3999404E-01 11 3.0214070E-03 -3.9388783E-01 12 8.5752850E-04 -4.6354084E-01 13 2.2297713E-04 -1.7633372E-01 14 3.5015251E-05 8.9216018E-06 15 1.5515021E-04 3.9509841E-05 16 5.8505473E-04 1.4952655E-04 17 1.6791461E-03 4.3148359E-04 18 3.7289898E-03 9.7413610E-04 19 6.2392565E-03 1.6715133E-03 20 7.3935668E-03 2.0374039E-03 21 6.1335327E-03 1.7859071E-03 22 2.8155812E-03 7.4615144E-04 23 4.2608423E-04 -1.1449795E-03 24 1.6668202E-05 -2.1726718E-03 25 3.0795221E-06 -1.6646844E-03 26 4.9655958E-07 -3.9264977E-04 ******************** CHLORINE SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.3773813358E+07 0.1000000000E+01 0.1000000000E+01 2 0.7062520751E+06 0.1000000000E+01 0.1000000000E+01 3 0.1546880727E+06 0.1000000000E+01 0.1000000000E+01 4 0.3907454691E+05 0.1000000000E+01 0.1000000000E+01 5 0.1121742987E+05 0.1000000000E+01 0.1000000000E+01 6 0.3606428477E+04 0.1000000000E+01 0.1000000000E+01 7 0.1279581910E+04 0.1000000000E+01 0.1000000000E+01 8 0.4937281914E+03 0.1000000000E+01 0.1000000000E+01 9 0.2041545600E+03 0.1000000000E+01 0.1000000000E+01 10 0.8914640362E+02 0.1000000000E+01 0.1000000000E+01 11 0.4050833683E+02 0.1000000000E+01 0.1000000000E+01 12 0.1887570142E+02 0.1000000000E+01 0.1000000000E+01 13 0.8887961105E+01 0.1000000000E+01 0.1000000000E+01 14 0.4167386790E+01 0.1000000000E+01 0.1000000000E+01 15 0.1917389540E+01 0.1000000000E+01 0.1000000000E+01 16 0.8530294661E+00 0.1000000000E+01 0.1000000000E+01 17 0.3616155587E+00 0.1000000000E+01 0.1000000000E+01 18 0.1439401121E+00 0.1000000000E+01 0.1000000000E+01 P- 1 0.5437199854E+04 0.1000000000E+01 0.1000000000E+01 2 0.1341039060E+04 0.1000000000E+01 0.1000000000E+01 3 0.3971626299E+03 0.1000000000E+01 0.1000000000E+01 4 0.1373100290E+03 0.1000000000E+01 0.1000000000E+01 5 0.5387523555E+02 0.1000000000E+01 0.1000000000E+01 6 0.2332250840E+02 0.1000000000E+01 0.1000000000E+01 7 0.1082945494E+02 0.1000000000E+01 0.1000000000E+01 8 0.5243597096E+01 0.1000000000E+01 0.1000000000E+01 9 0.2573887239E+01 0.1000000000E+01 0.1000000000E+01 10 0.1245183385E+01 0.1000000000E+01 0.1000000000E+01 11 0.5771740891E+00 0.1000000000E+01 0.1000000000E+01 12 0.2492046580E+00 0.1000000000E+01 0.1000000000E+01 13 0.9743778804E-01 0.1000000000E+01 0.1000000000E+01 P+ 1 0.5437199854E+04 0.1000000000E+01 0.1000000000E+01 2 0.1341039060E+04 0.1000000000E+01 0.1000000000E+01 3 0.3971626299E+03 0.1000000000E+01 0.1000000000E+01 4 0.1373100290E+03 0.1000000000E+01 0.1000000000E+01 5 0.5387523555E+02 0.1000000000E+01 0.1000000000E+01 6 0.2332250840E+02 0.1000000000E+01 0.1000000000E+01 7 0.1082945494E+02 0.1000000000E+01 0.1000000000E+01 8 0.5243597096E+01 0.1000000000E+01 0.1000000000E+01 9 0.2573887239E+01 0.1000000000E+01 0.1000000000E+01 10 0.1245183385E+01 0.1000000000E+01 0.1000000000E+01 11 0.5771740891E+00 0.1000000000E+01 0.1000000000E+01 12 0.2492046580E+00 0.1000000000E+01 0.1000000000E+01 13 0.9743778804E-01 0.1000000000E+01 0.1000000000E+01 S+ P- P+ NUMBER OF CLOSED SHELLS 3 1 1 OPEN SHELLS 0 1 1 NUMBER OF OPEN SHELL CONFG 2 CONF OPEN SHELL OCCUPATION NUMBERS 1 0.0 2.0 3.0 2 0.0 1.0 4.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ -1.0529101E+02 -1.0675849E+01 -1.0795502E+00 ------------ ------------ ------------ 1 8.7311460E-06 2.4663005E-06 -7.4663661E-07 2 3.3509306E-05 9.4731436E-06 -2.8659567E-06 3 1.6554301E-04 4.6848682E-05 -1.4190195E-05 4 7.2629351E-04 2.0566796E-04 -6.2214834E-05 5 2.9144318E-03 8.2744782E-04 -2.5078410E-04 6 1.0391209E-02 2.9654258E-03 -8.9736708E-04 7 3.2661213E-02 9.4682572E-03 -2.8767738E-03 8 8.8782280E-02 2.6658060E-02 -8.1004775E-03 9 1.9876263E-01 6.4748268E-02 -1.9916215E-02 10 3.3335933E-01 1.2884711E-01 -4.0063540E-02 11 3.3525410E-01 1.8156380E-01 -5.9151655E-02 12 1.3555364E-01 8.4562895E-02 -2.7494989E-02 13 1.1354251E-02 -2.5227808E-01 9.2652607E-02 14 1.6985226E-03 -5.8438635E-01 3.0738882E-01 15 -3.0149604E-04 -3.1399074E-01 2.9400621E-01 16 1.6891155E-04 -1.5041122E-02 -2.8624308E-01 17 -1.0191569E-04 -4.2186792E-03 -6.9225112E-01 18 1.6879233E-05 4.8009159E-04 -2.8965116E-01 19 3.9165078E-05 1.1047662E-05 -3.3449129E-06 20 1.0968179E-04 3.0929920E-05 -9.3533089E-06 21 3.1442539E-04 8.8719771E-05 -2.6868931E-05 22 7.9247497E-04 2.2364676E-04 -6.7625982E-05 23 1.8169918E-03 5.1406886E-04 -1.5576202E-04 24 3.8033498E-03 1.0815860E-03 -3.2717858E-04 25 7.2516499E-03 2.0951419E-03 -6.3638927E-04 26 1.2368138E-02 3.7019774E-03 -1.1245570E-03 27 1.7901129E-02 5.8146162E-03 -1.7880958E-03 28 1.9897548E-02 7.6701007E-03 -2.3843619E-03 29 1.3509222E-02 7.2988176E-03 -2.3774774E-03 30 3.7309817E-03 2.3246569E-03 -7.5596835E-04 31 2.1439047E-04 -4.7511313E-03 1.7443692E-03 32 2.1975722E-05 -7.5399315E-03 3.9650623E-03 33 -2.6604497E-06 -2.7483989E-03 2.5729246E-03 34 9.9489884E-07 -8.7795777E-05 -1.6706856E-03 35 -3.9077112E-07 -1.6043867E-05 -2.6308057E-03 36 4.1302908E-08 1.1537812E-06 -6.9449811E-04 2P- 3P- -8.1170251E+00 -5.0921104E-01 ------------ ------------ 1 -1.3327208E-04 3.5910316E-05 2 -6.8613454E-04 1.8499535E-04 3 -4.2400102E-03 1.1467536E-03 4 -1.9660937E-02 5.3516911E-03 5 -6.8338762E-02 1.8916943E-02 6 -1.7138602E-01 4.8758729E-02 7 -2.9700648E-01 8.7042013E-02 8 -3.5517230E-01 1.1032355E-01 9 -2.3549377E-01 6.2912180E-02 10 -5.3956053E-02 -1.4660822E-01 11 -3.4537294E-03 -3.9205843E-01 12 -9.9652366E-04 -4.5086733E-01 13 -2.9601314E-04 -1.8583853E-01 14 -4.0457945E-05 1.0905607E-05 15 -1.7409345E-04 4.6937701E-05 16 -6.4733077E-04 1.7508414E-04 17 -1.8427792E-03 5.0159512E-04 18 -4.0579735E-03 1.1233215E-03 19 -6.7299814E-03 1.9147338E-03 20 -7.9593358E-03 2.3328429E-03 21 -6.6289092E-03 2.0593351E-03 22 -3.0778706E-03 8.2258001E-04 23 -4.8900598E-04 -1.3349096E-03 24 -1.9397736E-05 -2.4303155E-03 25 -3.4354371E-06 -1.8363834E-03 26 1.4667286E-07 -4.7338455E-04 2P+ 3P+ -8.0523494E+00 -5.0402513E-01 ------------ ------------ 1 6.2788907E-05 1.6917115E-05 2 5.5943977E-04 1.5076893E-04 3 3.8789034E-03 1.0486199E-03 4 1.8938485E-02 5.1523902E-03 5 6.6939115E-02 1.8518342E-02 6 1.6951808E-01 4.8193723E-02 7 2.9561144E-01 8.6565838E-02 8 3.5585736E-01 1.1050566E-01 9 2.3804458E-01 6.4453950E-02 10 5.5383390E-02 -1.4360633E-01 11 3.5696674E-03 -3.8994518E-01 12 1.0258947E-03 -4.5216434E-01 13 3.0434298E-04 -1.8996343E-01 14 3.5741818E-05 9.6272883E-06 15 1.6329128E-04 4.3994514E-05 16 6.2375985E-04 1.6858334E-04 17 1.8016426E-03 4.9003607E-04 18 4.0001547E-03 1.1063781E-03 19 6.6739964E-03 1.8970473E-03 20 7.9349380E-03 2.3232732E-03 21 6.6484337E-03 2.0642513E-03 22 3.1163087E-03 8.4372932E-04 23 5.0431297E-04 -1.3073090E-03 24 2.2129401E-05 -2.4169839E-03 25 4.1782425E-06 -1.8416052E-03 26 7.7515598E-07 -4.8379146E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ -1.0529101E+02 -1.0675849E+01 -1.0795502E+00 ------------ ------------ ------------ 1 8.7312117E-06 2.4663190E-06 -7.4664223E-07 2 3.3509284E-05 9.4731372E-06 -2.8659547E-06 3 1.6554302E-04 4.6848686E-05 -1.4190196E-05 4 7.2629351E-04 2.0566796E-04 -6.2214834E-05 5 2.9144318E-03 8.2744782E-04 -2.5078410E-04 6 1.0391209E-02 2.9654258E-03 -8.9736708E-04 7 3.2661213E-02 9.4682572E-03 -2.8767738E-03 8 8.8782280E-02 2.6658060E-02 -8.1004775E-03 9 1.9876263E-01 6.4748268E-02 -1.9916215E-02 10 3.3335933E-01 1.2884711E-01 -4.0063540E-02 11 3.3525410E-01 1.8156380E-01 -5.9151655E-02 12 1.3555364E-01 8.4562895E-02 -2.7494989E-02 13 1.1354251E-02 -2.5227808E-01 9.2652607E-02 14 1.6985231E-03 -5.8438635E-01 3.0738882E-01 15 -3.0149647E-04 -3.1399074E-01 2.9400621E-01 16 1.6891211E-04 -1.5041122E-02 -2.8624308E-01 17 -1.0191614E-04 -4.2186795E-03 -6.9225112E-01 18 1.6879410E-05 4.8009168E-04 -2.8965116E-01 19 3.9166972E-05 1.1048196E-05 -3.3450745E-06 20 1.0968097E-04 3.0929689E-05 -9.3532389E-06 21 3.1442577E-04 8.8719878E-05 -2.6868963E-05 22 7.9247478E-04 2.2364670E-04 -6.7625966E-05 23 1.8169919E-03 5.1406889E-04 -1.5576203E-04 24 3.8033497E-03 1.0815860E-03 -3.2717857E-04 25 7.2516500E-03 2.0951420E-03 -6.3638927E-04 26 1.2368138E-02 3.7019774E-03 -1.1245570E-03 27 1.7901129E-02 5.8146162E-03 -1.7880958E-03 28 1.9897548E-02 7.6701007E-03 -2.3843619E-03 29 1.3509222E-02 7.2988176E-03 -2.3774774E-03 30 3.7309817E-03 2.3246569E-03 -7.5596835E-04 31 2.1439047E-04 -4.7511313E-03 1.7443692E-03 32 2.1975723E-05 -7.5399315E-03 3.9650623E-03 33 -2.6604508E-06 -2.7483989E-03 2.5729246E-03 34 9.9490080E-07 -8.7795776E-05 -1.6706856E-03 35 -3.9077219E-07 -1.6043868E-05 -2.6308057E-03 36 4.1302993E-08 1.1537814E-06 -6.9449811E-04 2P- 3P- -8.1170251E+00 -5.0921104E-01 ------------ ------------ 1 -1.3327208E-04 3.5910316E-05 2 -6.8613454E-04 1.8499535E-04 3 -4.2400102E-03 1.1467536E-03 4 -1.9660937E-02 5.3516911E-03 5 -6.8338762E-02 1.8916943E-02 6 -1.7138602E-01 4.8758729E-02 7 -2.9700648E-01 8.7042013E-02 8 -3.5517230E-01 1.1032355E-01 9 -2.3549377E-01 6.2912179E-02 10 -5.3956053E-02 -1.4660822E-01 11 -3.4537294E-03 -3.9205843E-01 12 -9.9652371E-04 -4.5086733E-01 13 -2.9601310E-04 -1.8583854E-01 14 -4.0457945E-05 1.0905607E-05 15 -1.7409345E-04 4.6937701E-05 16 -6.4733077E-04 1.7508414E-04 17 -1.8427792E-03 5.0159512E-04 18 -4.0579735E-03 1.1233215E-03 19 -6.7299814E-03 1.9147338E-03 20 -7.9593358E-03 2.3328429E-03 21 -6.6289092E-03 2.0593352E-03 22 -3.0778706E-03 8.2258000E-04 23 -4.8900598E-04 -1.3349096E-03 24 -1.9397736E-05 -2.4303155E-03 25 -3.4354373E-06 -1.8363834E-03 26 1.4667296E-07 -4.7338456E-04 2P+ 3P+ -8.0523494E+00 -5.0402513E-01 ------------ ------------ 1 6.2788907E-05 1.6917115E-05 2 5.5943977E-04 1.5076893E-04 3 3.8789034E-03 1.0486199E-03 4 1.8938485E-02 5.1523902E-03 5 6.6939115E-02 1.8518342E-02 6 1.6951808E-01 4.8193723E-02 7 2.9561144E-01 8.6565838E-02 8 3.5585736E-01 1.1050566E-01 9 2.3804458E-01 6.4453951E-02 10 5.5383390E-02 -1.4360633E-01 11 3.5696672E-03 -3.8994518E-01 12 1.0258948E-03 -4.5216434E-01 13 3.0434297E-04 -1.8996343E-01 14 3.5741818E-05 9.6272883E-06 15 1.6329128E-04 4.3994514E-05 16 6.2375985E-04 1.6858334E-04 17 1.8016426E-03 4.9003607E-04 18 4.0001547E-03 1.1063781E-03 19 6.6739964E-03 1.8970473E-03 20 7.9349380E-03 2.3232732E-03 21 6.6484337E-03 2.0642513E-03 22 3.1163087E-03 8.4372932E-04 23 5.0431297E-04 -1.3073090E-03 24 2.2129400E-05 -2.4169840E-03 25 4.1782429E-06 -1.8416052E-03 26 7.7515599E-07 -4.8379146E-04 ******************** ARGON SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.4892715338E+07 0.1000000000E+01 0.1000000000E+01 2 0.8356017747E+06 0.1000000000E+01 0.1000000000E+01 3 0.1714726270E+06 0.1000000000E+01 0.1000000000E+01 4 0.4153824066E+05 0.1000000000E+01 0.1000000000E+01 5 0.1167000522E+05 0.1000000000E+01 0.1000000000E+01 6 0.3735729864E+04 0.1000000000E+01 0.1000000000E+01 7 0.1338668813E+04 0.1000000000E+01 0.1000000000E+01 8 0.5275649100E+03 0.1000000000E+01 0.1000000000E+01 9 0.2246443694E+03 0.1000000000E+01 0.1000000000E+01 10 0.1015415668E+03 0.1000000000E+01 0.1000000000E+01 11 0.4786661050E+02 0.1000000000E+01 0.1000000000E+01 12 0.2311925259E+02 0.1000000000E+01 0.1000000000E+01 13 0.1124032865E+02 0.1000000000E+01 0.1000000000E+01 14 0.5404557487E+01 0.1000000000E+01 0.1000000000E+01 15 0.2524811674E+01 0.1000000000E+01 0.1000000000E+01 16 0.1125893631E+01 0.1000000000E+01 0.1000000000E+01 17 0.4708440270E+00 0.1000000000E+01 0.1000000000E+01 18 0.1814178037E+00 0.1000000000E+01 0.1000000000E+01 P- 1 0.5945445814E+04 0.1000000000E+01 0.1000000000E+01 2 0.1486551983E+04 0.1000000000E+01 0.1000000000E+01 3 0.4445856390E+03 0.1000000000E+01 0.1000000000E+01 4 0.1546984168E+03 0.1000000000E+01 0.1000000000E+01 5 0.6091817359E+02 0.1000000000E+01 0.1000000000E+01 6 0.2640668595E+02 0.1000000000E+01 0.1000000000E+01 7 0.1225638527E+02 0.1000000000E+01 0.1000000000E+01 8 0.5924720148E+01 0.1000000000E+01 0.1000000000E+01 9 0.2901387045E+01 0.1000000000E+01 0.1000000000E+01 10 0.1400075122E+01 0.1000000000E+01 0.1000000000E+01 11 0.6475604412E+00 0.1000000000E+01 0.1000000000E+01 12 0.2792338335E+00 0.1000000000E+01 0.1000000000E+01 13 0.1091917884E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.5945445814E+04 0.1000000000E+01 0.1000000000E+01 2 0.1486551983E+04 0.1000000000E+01 0.1000000000E+01 3 0.4445856390E+03 0.1000000000E+01 0.1000000000E+01 4 0.1546984168E+03 0.1000000000E+01 0.1000000000E+01 5 0.6091817359E+02 0.1000000000E+01 0.1000000000E+01 6 0.2640668595E+02 0.1000000000E+01 0.1000000000E+01 7 0.1225638527E+02 0.1000000000E+01 0.1000000000E+01 8 0.5924720148E+01 0.1000000000E+01 0.1000000000E+01 9 0.2901387045E+01 0.1000000000E+01 0.1000000000E+01 10 0.1400075122E+01 0.1000000000E+01 0.1000000000E+01 11 0.6475604412E+00 0.1000000000E+01 0.1000000000E+01 12 0.2792338335E+00 0.1000000000E+01 0.1000000000E+01 13 0.1091917884E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ NUMBER OF CLOSED SHELLS 3 2 2 OPEN SHELLS 0 0 0 NUMBER OF OPEN SHELL CONFG 0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ -1.1912657E+02 -1.2411595E+01 -1.2865960E+00 ------------ ------------ ------------ 1 -8.4611321E-06 -2.4228407E-06 7.5759525E-07 2 -3.5361422E-05 -1.0133835E-05 3.1679474E-06 3 -1.7923630E-04 -5.1439946E-05 1.6090861E-05 4 -8.0754038E-04 -2.3186212E-04 7.2485401E-05 5 -3.2600280E-03 -9.3908584E-04 2.9391307E-04 6 -1.1477310E-02 -3.3231084E-03 1.0394926E-03 7 -3.5021099E-02 -1.0319863E-02 3.2381713E-03 8 -9.1170423E-02 -2.7836826E-02 8.7489820E-03 9 -1.9493378E-01 -6.4708737E-02 2.0562656E-02 10 -3.1650528E-01 -1.2357621E-01 3.9773942E-02 11 -3.2583166E-01 -1.7506402E-01 5.8759620E-02 12 -1.5187208E-01 -1.0163555E-01 3.4812370E-02 13 -1.8472251E-02 1.8629454E-01 -7.0138004E-02 14 -1.6223414E-03 5.6116838E-01 -2.8670550E-01 15 8.5074939E-05 3.8647366E-01 -3.4361123E-01 16 -8.1133287E-05 3.5041414E-02 2.1070294E-01 17 7.8397326E-05 3.5466280E-03 7.1917333E-01 18 -6.9859480E-06 -7.6507974E-05 3.3065617E-01 19 -3.8534406E-05 -1.1019580E-05 3.4456831E-06 20 -1.1825887E-04 -3.3799105E-05 1.0562122E-05 21 -3.4958038E-04 -1.0000510E-04 3.1274808E-05 22 -8.9802075E-04 -2.5685900E-04 8.0266581E-05 23 -2.0628746E-03 -5.9191588E-04 1.8519148E-04 24 -4.2654418E-03 -1.2301278E-03 3.8463721E-04 25 -7.9441393E-03 -2.3321333E-03 7.3152130E-04 26 -1.3121605E-02 -3.9921491E-03 1.2542731E-03 27 -1.8412278E-02 -6.0921720E-03 1.9353490E-03 28 -2.0162211E-02 -7.8483464E-03 2.5253543E-03 29 -1.4274524E-02 -7.6487436E-03 2.5667439E-03 30 -4.6274437E-03 -3.0913750E-03 1.0589261E-03 31 -3.9242750E-04 3.9443074E-03 -1.4843832E-03 32 -2.3909335E-05 8.2450893E-03 -4.2112562E-03 33 8.7742926E-07 3.8819714E-03 -3.4505608E-03 34 -5.5359817E-07 2.3503164E-04 1.4127839E-03 35 3.4379846E-07 1.5390513E-05 3.1187065E-03 36 -1.9713811E-08 -2.0829340E-07 8.9006736E-04 2P- 3P- -9.6319601E+00 -5.9540877E-01 ------------ ------------ 1 1.5027535E-04 -4.1996934E-05 2 7.2816161E-04 -2.0375774E-04 3 4.3953502E-03 -1.2332378E-03 4 2.0112346E-02 -5.6855216E-03 5 6.9768326E-02 -2.0063598E-02 6 1.7512113E-01 -5.1890175E-02 7 3.0414066E-01 -9.2991543E-02 8 3.5933396E-01 -1.1731556E-01 9 2.2467815E-01 -5.3352319E-02 10 4.5603683E-02 1.8030918E-01 11 2.3448957E-03 4.1186505E-01 12 1.6935721E-04 4.2934033E-01 13 2.1445001E-05 1.5468078E-01 14 4.5713841E-05 -1.2778365E-05 15 1.9180452E-04 -5.3673580E-05 16 7.0478237E-04 -1.9775218E-04 17 1.9961028E-03 -5.6426787E-04 18 4.4004249E-03 -1.2654850E-03 19 7.3140730E-03 -2.1673406E-03 20 8.6687762E-03 -2.6508204E-03 21 7.1279575E-03 -2.3275214E-03 22 3.1167567E-03 -7.4038496E-04 23 4.3752340E-04 1.7408454E-03 24 1.2938993E-05 2.7043182E-03 25 -2.8564494E-08 1.8510810E-03 26 -1.0388308E-06 4.1713818E-04 2P+ 3P+ -9.5470791E+00 -5.8784505E-01 ------------ ------------ 1 -6.7366269E-05 1.8811828E-05 2 -5.8275262E-04 1.6292261E-04 3 -3.9793189E-03 1.1154115E-03 4 -1.9286778E-02 5.4464151E-03 5 -6.8168716E-02 1.9581236E-02 6 -1.7300728E-01 5.1198603E-02 7 -3.0261052E-01 9.2402359E-02 8 -3.6028603E-01 1.1754707E-01 9 -2.2758680E-01 5.5362244E-02 10 -4.7037106E-02 -1.7674513E-01 11 -2.4346492E-03 -4.0966137E-01 12 -1.8651188E-04 -4.3141855E-01 13 -1.8503643E-05 -1.5912680E-01 14 -3.9866806E-05 1.1128856E-05 15 -1.7861961E-04 4.9920890E-05 16 -6.7611763E-04 1.8945778E-04 17 -1.9462364E-03 5.4944213E-04 18 -4.3304655E-03 1.2435824E-03 19 -7.2469533E-03 2.1441273E-03 20 -8.6411321E-03 2.6380723E-03 21 -7.1551160E-03 2.3340160E-03 22 -3.1633956E-03 7.6950160E-04 23 -4.5418821E-04 -1.7061325E-03 24 -1.5988637E-05 -2.6895690E-03 25 -8.0369719E-07 -1.8599693E-03 26 -5.0038492E-08 -4.2900637E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ -1.1912657E+02 -1.2411595E+01 -1.2865960E+00 ------------ ------------ ------------ 1 -8.4612108E-06 -2.4228632E-06 7.5760230E-07 2 -3.5361429E-05 -1.0133837E-05 3.1679479E-06 3 -1.7923628E-04 -5.1439940E-05 1.6090859E-05 4 -8.0754043E-04 -2.3186214E-04 7.2485405E-05 5 -3.2600280E-03 -9.3908583E-04 2.9391307E-04 6 -1.1477310E-02 -3.3231084E-03 1.0394926E-03 7 -3.5021099E-02 -1.0319863E-02 3.2381713E-03 8 -9.1170423E-02 -2.7836826E-02 8.7489820E-03 9 -1.9493378E-01 -6.4708737E-02 2.0562656E-02 10 -3.1650528E-01 -1.2357621E-01 3.9773942E-02 11 -3.2583166E-01 -1.7506402E-01 5.8759620E-02 12 -1.5187208E-01 -1.0163555E-01 3.4812370E-02 13 -1.8472251E-02 1.8629454E-01 -7.0138004E-02 14 -1.6223414E-03 5.6116838E-01 -2.8670550E-01 15 8.5075130E-05 3.8647366E-01 -3.4361123E-01 16 -8.1133425E-05 3.5041414E-02 2.1070294E-01 17 7.8397385E-05 3.5466279E-03 7.1917333E-01 18 -6.9860013E-06 -7.6507838E-05 3.3065617E-01 19 -3.8537792E-05 -1.1020548E-05 3.4459857E-06 20 -1.1825756E-04 -3.3798729E-05 1.0562004E-05 21 -3.4958097E-04 -1.0000526E-04 3.1274860E-05 22 -8.9802047E-04 -2.5685892E-04 8.0266556E-05 23 -2.0628748E-03 -5.9191593E-04 1.8519150E-04 24 -4.2654417E-03 -1.2301277E-03 3.8463720E-04 25 -7.9441394E-03 -2.3321334E-03 7.3152131E-04 26 -1.3121605E-02 -3.9921491E-03 1.2542731E-03 27 -1.8412278E-02 -6.0921720E-03 1.9353490E-03 28 -2.0162211E-02 -7.8483463E-03 2.5253543E-03 29 -1.4274524E-02 -7.6487436E-03 2.5667439E-03 30 -4.6274437E-03 -3.0913750E-03 1.0589261E-03 31 -3.9242752E-04 3.9443074E-03 -1.4843832E-03 32 -2.3909324E-05 8.2450893E-03 -4.2112562E-03 33 8.7742537E-07 3.8819714E-03 -3.4505608E-03 34 -5.5359648E-07 2.3503164E-04 1.4127839E-03 35 3.4379774E-07 1.5390512E-05 3.1187065E-03 36 -1.9713795E-08 -2.0829291E-07 8.9006736E-04 2P- 3P- -9.6319601E+00 -5.9540877E-01 ------------ ------------ 1 1.5027535E-04 -4.1996934E-05 2 7.2816161E-04 -2.0375774E-04 3 4.3953502E-03 -1.2332378E-03 4 2.0112346E-02 -5.6855216E-03 5 6.9768326E-02 -2.0063598E-02 6 1.7512113E-01 -5.1890175E-02 7 3.0414066E-01 -9.2991543E-02 8 3.5933396E-01 -1.1731556E-01 9 2.2467815E-01 -5.3352321E-02 10 4.5603683E-02 1.8030918E-01 11 2.3448957E-03 4.1186505E-01 12 1.6935721E-04 4.2934033E-01 13 2.1444997E-05 1.5468078E-01 14 4.5713841E-05 -1.2778366E-05 15 1.9180452E-04 -5.3673580E-05 16 7.0478237E-04 -1.9775218E-04 17 1.9961028E-03 -5.6426787E-04 18 4.4004249E-03 -1.2654850E-03 19 7.3140730E-03 -2.1673406E-03 20 8.6687762E-03 -2.6508204E-03 21 7.1279575E-03 -2.3275214E-03 22 3.1167567E-03 -7.4038498E-04 23 4.3752340E-04 1.7408454E-03 24 1.2938993E-05 2.7043182E-03 25 -2.8564469E-08 1.8510810E-03 26 -1.0388308E-06 4.1713818E-04 2P+ 3P+ -9.5470791E+00 -5.8784505E-01 ------------ ------------ 1 -6.7366269E-05 1.8811828E-05 2 -5.8275262E-04 1.6292261E-04 3 -3.9793189E-03 1.1154115E-03 4 -1.9286778E-02 5.4464151E-03 5 -6.8168716E-02 1.9581236E-02 6 -1.7300728E-01 5.1198603E-02 7 -3.0261052E-01 9.2402359E-02 8 -3.6028603E-01 1.1754707E-01 9 -2.2758680E-01 5.5362244E-02 10 -4.7037106E-02 -1.7674513E-01 11 -2.4346492E-03 -4.0966137E-01 12 -1.8651187E-04 -4.3141855E-01 13 -1.8503647E-05 -1.5912680E-01 14 -3.9866806E-05 1.1128856E-05 15 -1.7861961E-04 4.9920890E-05 16 -6.7611763E-04 1.8945778E-04 17 -1.9462364E-03 5.4944213E-04 18 -4.3304655E-03 1.2435824E-03 19 -7.2469533E-03 2.1441273E-03 20 -8.6411321E-03 2.6380723E-03 21 -7.1551160E-03 2.3340160E-03 22 -3.1633956E-03 7.6950160E-04 23 -4.5418821E-04 -1.7061325E-03 24 -1.5988637E-05 -2.6895690E-03 25 -8.0369714E-07 -1.8599693E-03 26 -5.0038508E-08 -4.2900637E-04