SODIUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.9043548154E+06 0.1000000000E+01 0.1000000000E+01 2 0.1639818742E+06 0.1000000000E+01 0.1000000000E+01 3 0.3545358381E+05 0.1000000000E+01 0.1000000000E+01 4 0.8977015057E+04 0.1000000000E+01 0.1000000000E+01 5 0.2614637520E+04 0.1000000000E+01 0.1000000000E+01 6 0.8603971384E+03 0.1000000000E+01 0.1000000000E+01 7 0.3141915985E+03 0.1000000000E+01 0.1000000000E+01 8 0.1250542711E+03 0.1000000000E+01 0.1000000000E+01 9 0.5328574608E+02 0.1000000000E+01 0.1000000000E+01 10 0.2387439317E+02 0.1000000000E+01 0.1000000000E+01 11 0.1104746440E+02 0.1000000000E+01 0.1000000000E+01 12 0.5185636456E+01 0.1000000000E+01 0.1000000000E+01 13 0.2425218762E+01 0.1000000000E+01 0.1000000000E+01 14 0.1109965236E+01 0.1000000000E+01 0.1000000000E+01 15 0.4882897963E+00 0.1000000000E+01 0.1000000000E+01 16 0.2027943936E+00 0.1000000000E+01 0.1000000000E+01 17 0.7809882000E-01 0.1000000000E+01 0.1000000000E+01 18 0.2739324245E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.6831690212E+03 0.1000000000E+01 0.1000000000E+01 2 0.1599059339E+03 0.1000000000E+01 0.1000000000E+01 3 0.4805891231E+02 0.1000000000E+01 0.1000000000E+01 4 0.1745660153E+02 0.1000000000E+01 0.1000000000E+01 5 0.7213156019E+01 0.1000000000E+01 0.1000000000E+01 6 0.3191348865E+01 0.1000000000E+01 0.1000000000E+01 7 0.1423016805E+01 0.1000000000E+01 0.1000000000E+01 8 0.6019161957E+00 0.1000000000E+01 0.1000000000E+01 9 0.2273294727E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.6831690212E+03 0.1000000000E+01 0.1000000000E+01 2 0.1599059339E+03 0.1000000000E+01 0.1000000000E+01 3 0.4805891231E+02 0.1000000000E+01 0.1000000000E+01 4 0.1745660153E+02 0.1000000000E+01 0.1000000000E+01 5 0.7213156019E+01 0.1000000000E+01 0.1000000000E+01 6 0.3191348865E+01 0.1000000000E+01 0.1000000000E+01 7 0.1423016805E+01 0.1000000000E+01 0.1000000000E+01 8 0.6019161957E+00 0.1000000000E+01 0.1000000000E+01 9 0.2273294727E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ NUMBER OF CLOSED SHELLS 2 1 1 OPEN SHELLS 1 0 0 NUMBER OF OPEN SHELL CONFG 1 CONF OPEN SHELL OCCUPATION NUMBERS 1 1.0 0.0 0.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ -4.0544913E+01 -2.8053670E+00 -1.8232564E-01 ------------ ------------ ------------ 1 -9.7838017E-06 2.3977957E-06 -3.6088158E-07 2 -5.0544334E-05 1.2389323E-05 -1.8612449E-06 3 -2.8566202E-04 7.0065298E-05 -1.0552639E-05 4 -1.3508014E-03 3.3155783E-04 -4.9789602E-05 5 -5.5006735E-03 1.3549695E-03 -2.0425528E-04 6 -1.9182840E-02 4.7659847E-03 -7.1557285E-04 7 -5.7095529E-02 1.4524263E-02 -2.1963972E-03 8 -1.4114054E-01 3.7816757E-02 -5.6917537E-03 9 -2.7276870E-01 8.1982590E-02 -1.2562252E-02 10 -3.6138006E-01 1.3864497E-01 -2.1191499E-02 11 -2.4187351E-01 1.4109404E-01 -2.3014121E-02 12 -4.9181415E-02 -3.4862418E-02 7.5203625E-03 13 -3.1182880E-03 -3.3469976E-01 5.6833296E-02 14 -5.9114469E-04 -5.0764394E-01 1.1464128E-01 15 -3.1889662E-04 -2.5793499E-01 1.2488022E-01 16 7.1045836E-05 -1.0584231E-02 9.2905409E-02 17 -3.1800836E-05 -1.8036758E-03 -5.1447460E-01 18 9.3364332E-06 3.0788772E-04 -6.4670220E-01 19 -3.8082222E-05 9.3240101E-06 -1.4036039E-06 20 -1.0831444E-04 2.6515163E-05 -3.9824164E-06 21 -3.1059358E-04 7.6075263E-05 -1.1458033E-05 22 -7.7486074E-04 1.8991865E-04 -2.8515822E-05 23 -1.7394893E-03 4.2788051E-04 -6.4498052E-05 24 -3.5185967E-03 8.7300410E-04 -1.3106084E-04 25 -6.3644304E-03 1.6169538E-03 -2.4450598E-04 26 -9.9558189E-03 2.6644152E-03 -4.0098717E-04 27 -1.2579166E-02 3.7767139E-03 -5.7867845E-04 28 -1.1164649E-02 4.2790477E-03 -6.5400500E-04 29 -5.0851480E-03 2.9637968E-03 -4.8341512E-04 30 -7.0849268E-04 -5.0118873E-04 1.0812151E-04 31 -3.0710227E-05 -3.2939262E-03 5.5929061E-04 32 -3.9377716E-06 -3.3800641E-03 7.6328188E-04 33 -1.4088558E-06 -1.1391245E-03 5.5147640E-04 34 2.0226039E-07 -3.0123159E-05 2.6440473E-04 35 -5.6159621E-08 -3.1860240E-06 -9.0861779E-04 36 9.7566534E-09 3.2217310E-07 -6.7643035E-04 2P- -1.5219608E+00 ------------ 1 -4.3502395E-04 2 -3.6300507E-03 3 -2.0226040E-02 4 -7.1863221E-02 5 -1.7482361E-01 6 -2.9079222E-01 7 -3.5560408E-01 8 -2.7703955E-01 9 -5.9814796E-02 10 -8.2150863E-05 11 -3.6644189E-04 12 -1.1350307E-03 13 -2.4436859E-03 14 -3.8260302E-03 15 -4.2362067E-03 16 -3.4593731E-03 17 -1.7531376E-03 18 -2.3202473E-04 2P+ -1.5145627E+00 ------------ 1 -3.7820715E-04 2 -3.5126086E-03 3 -1.9917600E-02 4 -7.1301353E-02 5 -1.7398122E-01 6 -2.9015408E-01 7 -3.5564109E-01 8 -2.7837472E-01 9 -6.0696259E-02 10 -7.9709185E-05 11 -3.6084652E-04 12 -1.1245787E-03 13 -2.4289831E-03 14 -3.8114955E-03 15 -4.2287811E-03 16 -3.4612797E-03 17 -1.7620941E-03 18 -2.3611516E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ -4.0544913E+01 -2.8053670E+00 -1.8232564E-01 ------------ ------------ ------------ 1 -9.7838103E-06 2.3977978E-06 -3.6088189E-07 2 -5.0544326E-05 1.2389321E-05 -1.8612446E-06 3 -2.8566203E-04 7.0065300E-05 -1.0552639E-05 4 -1.3508014E-03 3.3155783E-04 -4.9789603E-05 5 -5.5006735E-03 1.3549695E-03 -2.0425529E-04 6 -1.9182840E-02 4.7659847E-03 -7.1557285E-04 7 -5.7095529E-02 1.4524263E-02 -2.1963973E-03 8 -1.4114054E-01 3.7816757E-02 -5.6917537E-03 9 -2.7276870E-01 8.1982590E-02 -1.2562252E-02 10 -3.6138006E-01 1.3864497E-01 -2.1191498E-02 11 -2.4187351E-01 1.4109404E-01 -2.3014125E-02 12 -4.9181414E-02 -3.4862420E-02 7.5203700E-03 13 -3.1182887E-03 -3.3469976E-01 5.6833282E-02 14 -5.9114380E-04 -5.0764394E-01 1.1464132E-01 15 -3.1889742E-04 -2.5793498E-01 1.2488017E-01 16 7.1046314E-05 -1.0584235E-02 9.2905476E-02 17 -3.1801027E-05 -1.8036745E-03 -5.1447468E-01 18 9.3364913E-06 3.0788736E-04 -6.4670216E-01 19 -3.8082287E-05 9.3240261E-06 -1.4036064E-06 20 -1.0831441E-04 2.6515156E-05 -3.9824154E-06 21 -3.1059359E-04 7.6075266E-05 -1.1458033E-05 22 -7.7486073E-04 1.8991865E-04 -2.8515822E-05 23 -1.7394893E-03 4.2788051E-04 -6.4498055E-05 24 -3.5185966E-03 8.7300410E-04 -1.3106084E-04 25 -6.3644304E-03 1.6169538E-03 -2.4450599E-04 26 -9.9558189E-03 2.6644152E-03 -4.0098716E-04 27 -1.2579166E-02 3.7767139E-03 -5.7867848E-04 28 -1.1164649E-02 4.2790477E-03 -6.5400497E-04 29 -5.0851480E-03 2.9637968E-03 -4.8341520E-04 30 -7.0849267E-04 -5.0118876E-04 1.0812161E-04 31 -3.0710234E-05 -3.2939262E-03 5.5929047E-04 32 -3.9377656E-06 -3.3800641E-03 7.6328211E-04 33 -1.4088595E-06 -1.1391245E-03 5.5147617E-04 34 2.0226194E-07 -3.0123170E-05 2.6440492E-04 35 -5.6160069E-08 -3.1860215E-06 -9.0861793E-04 36 9.7567748E-09 3.2217267E-07 -6.7643031E-04 2P- -1.5219608E+00 ------------ 1 -4.3502395E-04 2 -3.6300507E-03 3 -2.0226040E-02 4 -7.1863221E-02 5 -1.7482361E-01 6 -2.9079222E-01 7 -3.5560408E-01 8 -2.7703955E-01 9 -5.9814795E-02 10 -8.2150863E-05 11 -3.6644189E-04 12 -1.1350307E-03 13 -2.4436859E-03 14 -3.8260302E-03 15 -4.2362067E-03 16 -3.4593731E-03 17 -1.7531376E-03 18 -2.3202473E-04 2P+ -1.5145627E+00 ------------ 1 -3.7820715E-04 2 -3.5126086E-03 3 -1.9917600E-02 4 -7.1301353E-02 5 -1.7398122E-01 6 -2.9015408E-01 7 -3.5564109E-01 8 -2.7837472E-01 9 -6.0696259E-02 10 -7.9709185E-05 11 -3.6084652E-04 12 -1.1245787E-03 13 -2.4289831E-03 14 -3.8114955E-03 15 -4.2287811E-03 16 -3.4612797E-03 17 -1.7620941E-03 18 -2.3611516E-04 ******************** MAGNESIUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1133047393E+07 0.1000000000E+01 0.1000000000E+01 2 0.2092484084E+06 0.1000000000E+01 0.1000000000E+01 3 0.4577626972E+05 0.1000000000E+01 0.1000000000E+01 4 0.1166347144E+05 0.1000000000E+01 0.1000000000E+01 5 0.3403059182E+04 0.1000000000E+01 0.1000000000E+01 6 0.1117919316E+04 0.1000000000E+01 0.1000000000E+01 7 0.4065329498E+03 0.1000000000E+01 0.1000000000E+01 8 0.1609053265E+03 0.1000000000E+01 0.1000000000E+01 9 0.6815214285E+02 0.1000000000E+01 0.1000000000E+01 10 0.3037162862E+02 0.1000000000E+01 0.1000000000E+01 11 0.1400171272E+02 0.1000000000E+01 0.1000000000E+01 12 0.6565439559E+01 0.1000000000E+01 0.1000000000E+01 13 0.3078655265E+01 0.1000000000E+01 0.1000000000E+01 14 0.1419443040E+01 0.1000000000E+01 0.1000000000E+01 15 0.6326734047E+00 0.1000000000E+01 0.1000000000E+01 16 0.2680346462E+00 0.1000000000E+01 0.1000000000E+01 17 0.1061199614E+00 0.1000000000E+01 0.1000000000E+01 18 0.3860495681E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.9961517770E+03 0.1000000000E+01 0.1000000000E+01 2 0.2461311345E+03 0.1000000000E+01 0.1000000000E+01 3 0.7500780754E+02 0.1000000000E+01 0.1000000000E+01 4 0.2691304102E+02 0.1000000000E+01 0.1000000000E+01 5 0.1085307903E+02 0.1000000000E+01 0.1000000000E+01 6 0.4695637400E+01 0.1000000000E+01 0.1000000000E+01 7 0.2080678800E+01 0.1000000000E+01 0.1000000000E+01 8 0.9013675903E+00 0.1000000000E+01 0.1000000000E+01 9 0.3644204564E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.9961517770E+03 0.1000000000E+01 0.1000000000E+01 2 0.2461311345E+03 0.1000000000E+01 0.1000000000E+01 3 0.7500780754E+02 0.1000000000E+01 0.1000000000E+01 4 0.2691304102E+02 0.1000000000E+01 0.1000000000E+01 5 0.1085307903E+02 0.1000000000E+01 0.1000000000E+01 6 0.4695637400E+01 0.1000000000E+01 0.1000000000E+01 7 0.2080678800E+01 0.1000000000E+01 0.1000000000E+01 8 0.9013675903E+00 0.1000000000E+01 0.1000000000E+01 9 0.3644204564E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ NUMBER OF CLOSED SHELLS 3 1 1 OPEN SHELLS 0 0 0 NUMBER OF OPEN SHELL CONFG 0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ -4.9126634E+01 -3.7801493E+00 -2.5343148E-01 ------------ ------------ ------------ 1 9.8833919E-06 -2.5077993E-06 -4.8332323E-07 2 4.7822816E-05 -1.2138230E-05 -2.3375986E-06 3 2.6321347E-04 -6.6847579E-05 -1.2887968E-05 4 1.2255772E-03 -3.1149816E-04 -5.9981645E-05 5 4.9725904E-03 -1.2679662E-03 -2.4459183E-04 6 1.7413258E-02 -4.4763722E-03 -8.6231051E-04 7 5.2413113E-02 -1.3774081E-02 -2.6638478E-03 8 1.3207966E-01 -3.6472345E-02 -7.0545686E-03 9 2.6235684E-01 -8.0819087E-02 -1.5822797E-02 10 3.6179725E-01 -1.4071525E-01 -2.7817223E-02 11 2.5806755E-01 -1.5081461E-01 -3.1218025E-02 12 5.8318731E-02 1.9691360E-02 5.4580319E-03 13 3.4991701E-03 3.3594929E-01 7.6603843E-02 14 6.7883376E-04 5.2735320E-01 1.6115905E-01 15 2.6072349E-04 2.4897409E-01 1.8118517E-01 16 -5.9594555E-05 6.4493813E-03 -4.1732729E-02 17 2.7467995E-05 2.1348958E-03 -6.1662929E-01 18 -7.2136690E-06 -6.0964643E-04 -4.8896859E-01 19 3.9896093E-05 -1.0112032E-05 -1.9489816E-06 20 1.1160530E-04 -2.8284313E-05 -5.4460175E-06 21 3.1850344E-04 -8.0756939E-05 -1.5568750E-05 22 7.9307928E-04 -2.0122607E-04 -3.8742132E-05 23 1.7841948E-03 -4.5417934E-04 -8.7603287E-05 24 3.6306547E-03 -9.3177861E-04 -1.7947194E-04 25 6.6366755E-03 -1.7414017E-03 -3.3674755E-04 26 1.0561831E-02 -2.9123753E-03 -5.6326269E-04 27 1.3680633E-02 -4.2088303E-03 -8.2394079E-04 28 1.2607641E-02 -4.8975504E-03 -9.6809783E-04 29 6.1090877E-03 -3.5663889E-03 -7.3819534E-04 30 9.4549873E-04 3.1809427E-04 8.8182292E-05 31 3.8833630E-05 3.7250167E-03 8.4931961E-04 32 5.1144454E-06 3.9707856E-03 1.2133785E-03 33 1.3111313E-06 1.2516334E-03 9.1076926E-04 34 -1.9503582E-07 2.1101339E-05 -1.3653401E-04 35 5.6535571E-08 4.3963265E-06 -1.2694587E-03 36 -8.9446671E-09 -7.5729632E-07 -6.0715585E-04 2P- -2.2882855E+00 ------------ 1 3.3856596E-04 2 2.5164391E-03 3 1.4603920E-02 4 5.6691840E-02 5 1.5547950E-01 6 2.8586149E-01 7 3.6790808E-01 8 2.8677926E-01 9 7.0093194E-02 10 7.3118843E-05 11 3.1178109E-04 12 1.0192311E-03 13 2.3904778E-03 14 4.1714254E-03 15 5.0503625E-03 16 4.3271849E-03 17 2.2207522E-03 18 3.4407162E-04 2P+ -2.2767263E+00 ------------ 1 -2.7731942E-04 2 -2.4012634E-03 3 -1.4288383E-02 4 -5.6097262E-02 5 -1.5450847E-01 6 -2.8502678E-01 7 -3.6791327E-01 8 -2.8818971E-01 9 -7.1150155E-02 10 -7.0281945E-05 11 -3.0548859E-04 12 -1.0069771E-03 13 -2.3719607E-03 14 -4.1514427E-03 15 -5.0386596E-03 16 -4.3297782E-03 17 -2.2323704E-03 18 -3.5044415E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ -4.9126634E+01 -3.7801493E+00 -2.5343148E-01 ------------ ------------ ------------ 1 9.8834047E-06 -2.5078026E-06 -4.8332386E-07 2 4.7822805E-05 -1.2138227E-05 -2.3375981E-06 3 2.6321348E-04 -6.6847582E-05 -1.2887969E-05 4 1.2255772E-03 -3.1149816E-04 -5.9981645E-05 5 4.9725904E-03 -1.2679662E-03 -2.4459183E-04 6 1.7413258E-02 -4.4763722E-03 -8.6231051E-04 7 5.2413113E-02 -1.3774081E-02 -2.6638478E-03 8 1.3207966E-01 -3.6472345E-02 -7.0545686E-03 9 2.6235684E-01 -8.0819087E-02 -1.5822797E-02 10 3.6179725E-01 -1.4071525E-01 -2.7817223E-02 11 2.5806755E-01 -1.5081461E-01 -3.1218025E-02 12 5.8318731E-02 1.9691360E-02 5.4580319E-03 13 3.4991703E-03 3.3594929E-01 7.6603843E-02 14 6.7883361E-04 5.2735320E-01 1.6115905E-01 15 2.6072362E-04 2.4897409E-01 1.8118517E-01 16 -5.9594723E-05 6.4493814E-03 -4.1732730E-02 17 2.7468125E-05 2.1348958E-03 -6.1662929E-01 18 -7.2137216E-06 -6.0964641E-04 -4.8896859E-01 19 3.9896207E-05 -1.0112061E-05 -1.9489872E-06 20 1.1160525E-04 -2.8284301E-05 -5.4460151E-06 21 3.1850346E-04 -8.0756945E-05 -1.5568751E-05 22 7.9307927E-04 -2.0122607E-04 -3.8742131E-05 23 1.7841948E-03 -4.5417934E-04 -8.7603288E-05 24 3.6306547E-03 -9.3177861E-04 -1.7947194E-04 25 6.6366755E-03 -1.7414017E-03 -3.3674755E-04 26 1.0561831E-02 -2.9123753E-03 -5.6326269E-04 27 1.3680633E-02 -4.2088303E-03 -8.2394079E-04 28 1.2607641E-02 -4.8975504E-03 -9.6809783E-04 29 6.1090877E-03 -3.5663889E-03 -7.3819533E-04 30 9.4549872E-04 3.1809427E-04 8.8182291E-05 31 3.8833633E-05 3.7250167E-03 8.4931961E-04 32 5.1144440E-06 3.9707856E-03 1.2133785E-03 33 1.3111320E-06 1.2516334E-03 9.1076926E-04 34 -1.9503638E-07 2.1101339E-05 -1.3653401E-04 35 5.6535836E-08 4.3963264E-06 -1.2694587E-03 36 -8.9447054E-09 -7.5729630E-07 -6.0715585E-04 2P- -2.2882855E+00 ------------ 1 3.3856596E-04 2 2.5164391E-03 3 1.4603920E-02 4 5.6691840E-02 5 1.5547950E-01 6 2.8586149E-01 7 3.6790808E-01 8 2.8677926E-01 9 7.0093194E-02 10 7.3118843E-05 11 3.1178109E-04 12 1.0192311E-03 13 2.3904778E-03 14 4.1714254E-03 15 5.0503625E-03 16 4.3271849E-03 17 2.2207522E-03 18 3.4407162E-04 2P+ -2.2767263E+00 ------------ 1 -2.7731942E-04 2 -2.4012634E-03 3 -1.4288383E-02 4 -5.6097262E-02 5 -1.5450847E-01 6 -2.8502678E-01 7 -3.6791327E-01 8 -2.8818971E-01 9 -7.1150155E-02 10 -7.0281945E-05 11 -3.0548859E-04 12 -1.0069771E-03 13 -2.3719607E-03 14 -4.1514427E-03 15 -5.0386596E-03 16 -4.3297782E-03 17 -2.2323704E-03 18 -3.5044415E-04