SCANDIUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1361791008E+08 0.1000000000E+01 0.1000000000E+01 2 0.2556275465E+07 0.1000000000E+01 0.1000000000E+01 3 0.5551291390E+06 0.1000000000E+01 0.1000000000E+01 4 0.1377531063E+06 0.1000000000E+01 0.1000000000E+01 5 0.3857994491E+05 0.1000000000E+01 0.1000000000E+01 6 0.1204499023E+05 0.1000000000E+01 0.1000000000E+01 7 0.4140642817E+04 0.1000000000E+01 0.1000000000E+01 8 0.1548022877E+04 0.1000000000E+01 0.1000000000E+01 9 0.6216802785E+03 0.1000000000E+01 0.1000000000E+01 10 0.2648919364E+03 0.1000000000E+01 0.1000000000E+01 11 0.1182807687E+03 0.1000000000E+01 0.1000000000E+01 12 0.5466824254E+02 0.1000000000E+01 0.1000000000E+01 13 0.2583232416E+02 0.1000000000E+01 0.1000000000E+01 14 0.1232625272E+02 0.1000000000E+01 0.1000000000E+01 15 0.5866373238E+01 0.1000000000E+01 0.1000000000E+01 16 0.2750496982E+01 0.1000000000E+01 0.1000000000E+01 17 0.1254837055E+01 0.1000000000E+01 0.1000000000E+01 18 0.5502119240E+00 0.1000000000E+01 0.1000000000E+01 19 0.2290187203E+00 0.1000000000E+01 0.1000000000E+01 20 0.8938036276E-01 0.1000000000E+01 0.1000000000E+01 21 0.3230540627E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.1240018858E+05 0.1000000000E+01 0.1000000000E+01 2 0.3010337959E+04 0.1000000000E+01 0.1000000000E+01 3 0.8765356301E+03 0.1000000000E+01 0.1000000000E+01 4 0.2979657625E+03 0.1000000000E+01 0.1000000000E+01 5 0.1151014362E+03 0.1000000000E+01 0.1000000000E+01 6 0.4917992071E+02 0.1000000000E+01 0.1000000000E+01 7 0.2262365275E+02 0.1000000000E+01 0.1000000000E+01 8 0.1090637849E+02 0.1000000000E+01 0.1000000000E+01 9 0.5363106943E+01 0.1000000000E+01 0.1000000000E+01 10 0.2618457438E+01 0.1000000000E+01 0.1000000000E+01 11 0.1235500334E+01 0.1000000000E+01 0.1000000000E+01 12 0.5483825387E+00 0.1000000000E+01 0.1000000000E+01 13 0.2228655224E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.1240018858E+05 0.1000000000E+01 0.1000000000E+01 2 0.3010337959E+04 0.1000000000E+01 0.1000000000E+01 3 0.8765356301E+03 0.1000000000E+01 0.1000000000E+01 4 0.2979657625E+03 0.1000000000E+01 0.1000000000E+01 5 0.1151014362E+03 0.1000000000E+01 0.1000000000E+01 6 0.4917992071E+02 0.1000000000E+01 0.1000000000E+01 7 0.2262365275E+02 0.1000000000E+01 0.1000000000E+01 8 0.1090637849E+02 0.1000000000E+01 0.1000000000E+01 9 0.5363106943E+01 0.1000000000E+01 0.1000000000E+01 10 0.2618457438E+01 0.1000000000E+01 0.1000000000E+01 11 0.1235500334E+01 0.1000000000E+01 0.1000000000E+01 12 0.5483825387E+00 0.1000000000E+01 0.1000000000E+01 13 0.2228655224E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.2071459179E+03 0.1000000000E+01 0.1000000000E+01 2 0.5540004700E+02 0.1000000000E+01 0.1000000000E+01 3 0.1829724487E+02 0.1000000000E+01 0.1000000000E+01 4 0.7112337932E+01 0.1000000000E+01 0.1000000000E+01 5 0.3100983718E+01 0.1000000000E+01 0.1000000000E+01 6 0.1445294371E+01 0.1000000000E+01 0.1000000000E+01 7 0.6862654930E+00 0.1000000000E+01 0.1000000000E+01 8 0.3163853328E+00 0.1000000000E+01 0.1000000000E+01 9 0.1349702816E+00 0.1000000000E+01 0.1000000000E+01 10 0.5077698400E-01 0.1000000000E+01 0.1000000000E+01 D+ 1 0.2071459179E+03 0.1000000000E+01 0.1000000000E+01 2 0.5540004700E+02 0.1000000000E+01 0.1000000000E+01 3 0.1829724487E+02 0.1000000000E+01 0.1000000000E+01 4 0.7112337932E+01 0.1000000000E+01 0.1000000000E+01 5 0.3100983718E+01 0.1000000000E+01 0.1000000000E+01 6 0.1445294371E+01 0.1000000000E+01 0.1000000000E+01 7 0.6862654930E+00 0.1000000000E+01 0.1000000000E+01 8 0.3163853328E+00 0.1000000000E+01 0.1000000000E+01 9 0.1349702816E+00 0.1000000000E+01 0.1000000000E+01 10 0.5077698400E-01 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 4 2 2 0 0 OPEN SHELLS 0 0 0 1 1 NUMBER OF OPEN SHELL CONFG 2 CONF OPEN SHELL OCCUPATION NUMBERS 1 0.0 0.0 0.0 1.0 0.0 2 0.0 0.0 0.0 0.0 1.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -1.6688447E+02 -1.9265673E+01 -2.5915317E+00 -2.1135889E-01 ------------ ------------ ------------ ------------ 1 5.4877299E-06 -1.6255838E-06 -5.7284385E-07 1.3630227E-07 2 1.7906886E-05 -5.3095444E-06 -1.8715432E-06 4.4549033E-07 3 7.7820582E-05 -2.3112888E-05 -8.1464494E-06 1.9380576E-06 4 3.1231318E-04 -9.2816084E-05 -3.2726951E-05 7.7917407E-06 5 1.2142807E-03 -3.6172872E-04 -1.2752621E-04 3.0333727E-05 6 4.3546520E-03 -1.2998858E-03 -4.5860269E-04 1.0921697E-04 7 1.4229841E-02 -4.2855926E-03 -1.5124834E-03 3.5971806E-04 8 4.1619916E-02 -1.2752050E-02 -4.5123797E-03 1.0753922E-03 9 1.0624930E-01 -3.4071208E-02 -1.2104556E-02 2.8799380E-03 10 2.2332030E-01 -7.8509866E-02 -2.8214778E-02 6.7419555E-03 11 3.4522979E-01 -1.4864981E-01 -5.4583804E-02 1.3024502E-02 12 3.0541421E-01 -1.8561685E-01 -7.1408863E-02 1.7267128E-02 13 1.0110147E-01 -4.2365399E-02 -1.6811918E-02 3.8628452E-03 14 6.2661600E-03 3.6207505E-01 1.7345380E-01 -4.2488901E-02 15 1.0515259E-03 5.8584942E-01 4.3147708E-01 -1.1439801E-01 16 -2.6291519E-04 2.0393549E-01 1.8885833E-01 -4.6961600E-02 17 6.8074663E-05 5.8691818E-03 -5.7914783E-01 1.7859163E-01 18 -7.6547319E-05 3.3151297E-03 -6.3619140E-01 3.2126871E-01 19 2.5642588E-05 -8.2766842E-04 -8.1480000E-02 1.3513664E-01 20 -1.0413074E-05 3.5405533E-04 1.3885774E-03 -6.0682869E-01 21 2.6772627E-06 -9.0607865E-05 -1.0610658E-04 -6.1549189E-01 22 2.4754798E-05 -7.3252705E-06 -2.5808335E-06 6.1393510E-07 23 7.3045399E-05 -2.1600366E-05 -7.6123085E-06 1.8122951E-06 24 2.1195241E-04 -6.2734779E-05 -2.2102037E-05 5.2570281E-06 25 5.4476419E-04 -1.6114856E-04 -5.6795341E-05 1.3522655E-05 26 1.2812608E-03 -3.7976264E-04 -1.3380727E-04 3.1823240E-05 27 2.7689434E-03 -8.2208898E-04 -2.8987321E-04 6.9032163E-05 28 5.5271508E-03 -1.6557574E-03 -5.8401243E-04 1.3888266E-04 29 1.0114965E-02 -3.0830894E-03 -1.0903766E-03 2.5984700E-04 30 1.6575339E-02 -5.2896236E-03 -1.8782871E-03 4.4685003E-04 31 2.2904328E-02 -8.0162486E-03 -2.8795704E-03 6.8804489E-04 32 2.3753007E-02 -1.0185782E-02 -3.7386858E-03 8.9205560E-04 33 1.4315014E-02 -8.6689815E-03 -3.3341846E-03 8.0620326E-04 34 3.2598655E-03 -1.3675768E-03 -5.4320786E-04 1.2486554E-04 35 1.3961752E-04 8.0303591E-03 3.8449833E-03 -9.4178927E-04 36 1.6078792E-05 8.9697939E-03 6.6034744E-03 -1.7507230E-03 37 -2.7325886E-06 2.1384593E-03 1.9799867E-03 -4.9238282E-04 38 4.6533439E-07 4.1540814E-05 -4.0998985E-03 1.2642217E-03 39 -3.5029370E-07 1.5556281E-05 -2.9824042E-03 1.5060029E-03 40 7.3346901E-08 -2.5088055E-06 -2.4644382E-04 4.0870891E-04 41 -1.7913815E-08 6.7097907E-07 2.6258060E-06 -1.1465229E-03 42 2.5240623E-09 -1.0345603E-07 -1.2111427E-07 -6.9912870E-04 2P- 3P- -1.5803009E+01 -1.5883457E+00 ------------ ------------ 1 1.2422602E-04 -4.1696954E-05 2 4.8649918E-04 -1.6383493E-04 3 2.8002363E-03 -9.4264530E-04 4 1.3180591E-02 -4.4782262E-03 5 4.8915949E-02 -1.6819022E-02 6 1.3618956E-01 -4.8413832E-02 7 2.6840947E-01 -9.8477140E-02 8 3.6486776E-01 -1.4309769E-01 9 2.8088998E-01 -9.7245226E-02 10 7.9045054E-02 1.5205235E-01 11 4.9148572E-03 4.6135968E-01 12 3.7773588E-04 4.4276665E-01 13 -2.3366972E-05 1.0407875E-01 14 3.7031989E-05 -1.2418502E-05 15 1.5713934E-04 -5.2953279E-05 16 5.9322133E-04 -1.9967622E-04 17 1.7786784E-03 -6.0435163E-04 18 4.2060164E-03 -1.4461818E-03 19 7.7367223E-03 -2.7504777E-03 20 1.0377975E-02 -3.8081933E-03 21 9.8129902E-03 -3.8493623E-03 22 5.2958011E-03 -1.8346385E-03 23 1.0379980E-03 2.0078282E-03 24 3.9283563E-05 4.1844623E-03 25 8.2233123E-07 2.6752740E-03 26 -2.6206036E-06 4.0114760E-04 2P+ 3P+ -1.5628231E+01 -1.5680764E+00 ------------ ------------ 1 3.6224655E-05 1.2146804E-05 2 3.2706168E-04 1.1025690E-04 3 2.3472004E-03 7.9015458E-04 4 1.2253726E-02 4.1641429E-03 5 4.7057072E-02 1.6179779E-02 6 1.3341413E-01 4.7419902E-02 7 2.6580558E-01 9.7501900E-02 8 3.6507966E-01 1.4319724E-01 9 2.8462192E-01 1.0009215E-01 10 8.1748816E-02 -1.4681850E-01 11 5.2109284E-03 -4.5841240E-01 12 4.0057196E-04 -4.4714766E-01 13 -2.7694426E-05 -1.0804617E-01 14 2.9708158E-05 9.9543280E-06 15 1.4004332E-04 4.7188746E-05 16 5.5483209E-04 1.8667532E-04 17 1.7083935E-03 5.8028911E-04 18 4.1001354E-03 1.4091339E-03 19 7.6193506E-03 2.7071323E-03 20 1.0308511E-02 3.7801017E-03 21 9.8361538E-03 3.8569792E-03 22 5.3790951E-03 1.8913769E-03 23 1.0796432E-03 -1.9379172E-03 24 4.7274962E-05 -4.1571006E-03 25 2.4193108E-06 -2.7016095E-03 26 -1.0631943E-07 -4.1616608E-04 3D- -3.3597117E-01 ------------ 1 2.7819865E-04 2 3.4079479E-03 3 2.0205203E-02 4 6.6707798E-02 5 1.5603049E-01 6 2.5032291E-01 7 3.1184202E-01 8 3.1396100E-01 9 2.0377502E-01 10 4.2344855E-02 11 3.7013292E-05 12 2.4242761E-04 13 8.3156539E-04 14 1.7153715E-03 15 2.6509782E-03 16 2.9044541E-03 17 2.4934997E-03 18 1.7046638E-03 19 7.2264633E-04 20 9.2093781E-05 3D+ -3.3519890E-01 ------------ 1 -2.6311352E-04 2 -3.3454449E-03 3 -2.0029381E-02 4 -6.6376458E-02 5 -1.5542944E-01 6 -2.4970919E-01 7 -3.1169870E-01 8 -3.1450630E-01 9 -2.0466005E-01 10 -4.2719620E-02 11 -3.6214754E-05 12 -2.3965370E-04 13 -8.2615753E-04 14 -1.7081476E-03 15 -2.6418208E-03 16 -2.8978346E-03 17 -2.4926227E-03 18 -1.7077371E-03 19 -7.2583479E-04 20 -9.2928399E-05 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -1.6688447E+02 -1.9265673E+01 -2.5915317E+00 -2.1135889E-01 ------------ ------------ ------------ ------------ 1 5.4878816E-06 -1.6256290E-06 -5.7285981E-07 1.3630608E-07 2 1.7907247E-05 -5.3096509E-06 -1.8715807E-06 4.4549924E-07 3 7.7820094E-05 -2.3112744E-05 -8.1463986E-06 1.9380455E-06 4 3.1231379E-04 -9.2816265E-05 -3.2727015E-05 7.7917558E-06 5 1.2142800E-03 -3.6172853E-04 -1.2752615E-04 3.0333712E-05 6 4.3546528E-03 -1.2998860E-03 -4.5860277E-04 1.0921699E-04 7 1.4229840E-02 -4.2855924E-03 -1.5124833E-03 3.5971804E-04 8 4.1619917E-02 -1.2752050E-02 -4.5123799E-03 1.0753922E-03 9 1.0624930E-01 -3.4071207E-02 -1.2104556E-02 2.8799380E-03 10 2.2332030E-01 -7.8509867E-02 -2.8214778E-02 6.7419555E-03 11 3.4522979E-01 -1.4864981E-01 -5.4583804E-02 1.3024502E-02 12 3.0541421E-01 -1.8561685E-01 -7.1408864E-02 1.7267128E-02 13 1.0110146E-01 -4.2365399E-02 -1.6811918E-02 3.8628451E-03 14 6.2661605E-03 3.6207505E-01 1.7345380E-01 -4.2488900E-02 15 1.0515253E-03 5.8584942E-01 4.3147708E-01 -1.1439801E-01 16 -2.6291459E-04 2.0393549E-01 1.8885833E-01 -4.6961599E-02 17 6.8074496E-05 5.8691810E-03 -5.7914782E-01 1.7859163E-01 18 -7.6547605E-05 3.3151322E-03 -6.3619140E-01 3.2126871E-01 19 2.5642904E-05 -8.2767063E-04 -8.1479998E-02 1.3513664E-01 20 -1.0413181E-05 3.5405617E-04 1.3885769E-03 -6.0682869E-01 21 2.6772204E-06 -9.0607681E-05 -1.0610688E-04 -6.1549189E-01 22 2.4775375E-05 -7.3313576E-06 -2.5829783E-06 6.1444550E-07 23 7.3036656E-05 -2.1597779E-05 -7.6113971E-06 1.8120783E-06 24 2.1195638E-04 -6.2735954E-05 -2.2102451E-05 5.2571266E-06 25 5.4476231E-04 -1.6114801E-04 -5.6795145E-05 1.3522608E-05 26 1.2812619E-03 -3.7976297E-04 -1.3380739E-04 3.1823267E-05 27 2.7689428E-03 -8.2208880E-04 -2.8987314E-04 6.9032148E-05 28 5.5271513E-03 -1.6557575E-03 -5.8401247E-04 1.3888267E-04 29 1.0114964E-02 -3.0830893E-03 -1.0903766E-03 2.5984699E-04 30 1.6575339E-02 -5.2896237E-03 -1.8782871E-03 4.4685003E-04 31 2.2904327E-02 -8.0162485E-03 -2.8795703E-03 6.8804488E-04 32 2.3753007E-02 -1.0185782E-02 -3.7386859E-03 8.9205560E-04 33 1.4315014E-02 -8.6689814E-03 -3.3341846E-03 8.0620326E-04 34 3.2598656E-03 -1.3675768E-03 -5.4320786E-04 1.2486554E-04 35 1.3961744E-04 8.0303591E-03 3.8449833E-03 -9.4178927E-04 36 1.6078842E-05 8.9697939E-03 6.6034744E-03 -1.7507230E-03 37 -2.7326157E-06 2.1384593E-03 1.9799867E-03 -4.9238282E-04 38 4.6535027E-07 4.1540804E-05 -4.0998985E-03 1.2642217E-03 39 -3.5030361E-07 1.5556295E-05 -2.9824043E-03 1.5060029E-03 40 7.3351745E-08 -2.5088132E-06 -2.4644381E-04 4.0870891E-04 41 -1.7915661E-08 6.7098113E-07 2.6258050E-06 -1.1465229E-03 42 2.5246952E-09 -1.0345612E-07 -1.2111464E-07 -6.9912870E-04 2P- 3P- -1.5803009E+01 -1.5883457E+00 ------------ ------------ 1 1.2422602E-04 -4.1696954E-05 2 4.8649918E-04 -1.6383493E-04 3 2.8002363E-03 -9.4264530E-04 4 1.3180591E-02 -4.4782262E-03 5 4.8915949E-02 -1.6819022E-02 6 1.3618956E-01 -4.8413832E-02 7 2.6840947E-01 -9.8477140E-02 8 3.6486776E-01 -1.4309769E-01 9 2.8088998E-01 -9.7245225E-02 10 7.9045054E-02 1.5205235E-01 11 4.9148573E-03 4.6135968E-01 12 3.7773584E-04 4.4276665E-01 13 -2.3366922E-05 1.0407875E-01 14 3.7031989E-05 -1.2418502E-05 15 1.5713934E-04 -5.2953279E-05 16 5.9322133E-04 -1.9967622E-04 17 1.7786784E-03 -6.0435163E-04 18 4.2060164E-03 -1.4461818E-03 19 7.7367223E-03 -2.7504777E-03 20 1.0377975E-02 -3.8081933E-03 21 9.8129902E-03 -3.8493623E-03 22 5.2958011E-03 -1.8346385E-03 23 1.0379980E-03 2.0078282E-03 24 3.9283564E-05 4.1844623E-03 25 8.2233103E-07 2.6752740E-03 26 -2.6206034E-06 4.0114760E-04 2P+ 3P+ -1.5628231E+01 -1.5680764E+00 ------------ ------------ 1 3.6224654E-05 1.2146804E-05 2 3.2706168E-04 1.1025690E-04 3 2.3472004E-03 7.9015458E-04 4 1.2253726E-02 4.1641429E-03 5 4.7057072E-02 1.6179779E-02 6 1.3341413E-01 4.7419902E-02 7 2.6580558E-01 9.7501900E-02 8 3.6507966E-01 1.4319724E-01 9 2.8462192E-01 1.0009215E-01 10 8.1748816E-02 -1.4681850E-01 11 5.2109285E-03 -4.5841240E-01 12 4.0057184E-04 -4.4714766E-01 13 -2.7694349E-05 -1.0804617E-01 14 2.9708158E-05 9.9543280E-06 15 1.4004332E-04 4.7188746E-05 16 5.5483209E-04 1.8667532E-04 17 1.7083935E-03 5.8028911E-04 18 4.1001354E-03 1.4091339E-03 19 7.6193506E-03 2.7071323E-03 20 1.0308511E-02 3.7801017E-03 21 9.8361538E-03 3.8569792E-03 22 5.3790951E-03 1.8913769E-03 23 1.0796432E-03 -1.9379172E-03 24 4.7274963E-05 -4.1571006E-03 25 2.4193101E-06 -2.7016095E-03 26 -1.0631914E-07 -4.1616608E-04 3D- -3.3597117E-01 ------------ 1 2.7819865E-04 2 3.4079479E-03 3 2.0205203E-02 4 6.6707798E-02 5 1.5603049E-01 6 2.5032291E-01 7 3.1184202E-01 8 3.1396100E-01 9 2.0377502E-01 10 4.2344856E-02 11 3.7013292E-05 12 2.4242761E-04 13 8.3156539E-04 14 1.7153715E-03 15 2.6509782E-03 16 2.9044541E-03 17 2.4934997E-03 18 1.7046639E-03 19 7.2264632E-04 20 9.2093783E-05 3D+ -3.3519890E-01 ------------ 1 -2.6311352E-04 2 -3.3454449E-03 3 -2.0029381E-02 4 -6.6376458E-02 5 -1.5542944E-01 6 -2.4970919E-01 7 -3.1169870E-01 8 -3.1450630E-01 9 -2.0466005E-01 10 -4.2719619E-02 11 -3.6214754E-05 12 -2.3965370E-04 13 -8.2615753E-04 14 -1.7081476E-03 15 -2.6418208E-03 16 -2.8978346E-03 17 -2.4926227E-03 18 -1.7077371E-03 19 -7.2583479E-04 20 -9.2928397E-05 ____________________ SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1293904319E+08 0.1000000000E+01 0.1000000000E+01 2 0.2509083751E+07 0.1000000000E+01 0.1000000000E+01 3 0.5600815314E+06 0.1000000000E+01 0.1000000000E+01 4 0.1421782570E+06 0.1000000000E+01 0.1000000000E+01 5 0.4054933169E+05 0.1000000000E+01 0.1000000000E+01 6 0.1283587673E+05 0.1000000000E+01 0.1000000000E+01 7 0.4455346015E+04 0.1000000000E+01 0.1000000000E+01 8 0.1675228849E+04 0.1000000000E+01 0.1000000000E+01 9 0.6741032084E+03 0.1000000000E+01 0.1000000000E+01 10 0.2867879715E+03 0.1000000000E+01 0.1000000000E+01 11 0.1274384552E+03 0.1000000000E+01 0.1000000000E+01 12 0.5843429843E+02 0.1000000000E+01 0.1000000000E+01 13 0.2731402363E+02 0.1000000000E+01 0.1000000000E+01 14 0.1285809941E+02 0.1000000000E+01 0.1000000000E+01 15 0.6022320589E+01 0.1000000000E+01 0.1000000000E+01 16 0.2772488139E+01 0.1000000000E+01 0.1000000000E+01 17 0.1239415715E+01 0.1000000000E+01 0.1000000000E+01 18 0.5315309000E+00 0.1000000000E+01 0.1000000000E+01 19 0.2160364307E+00 0.1000000000E+01 0.1000000000E+01 20 0.8221199158E-01 0.1000000000E+01 0.1000000000E+01 21 0.2893848462E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.1183758983E+05 0.1000000000E+01 0.1000000000E+01 2 0.2790655680E+04 0.1000000000E+01 0.1000000000E+01 3 0.7991547895E+03 0.1000000000E+01 0.1000000000E+01 4 0.2699456738E+03 0.1000000000E+01 0.1000000000E+01 5 0.1044435874E+03 0.1000000000E+01 0.1000000000E+01 6 0.4494550478E+02 0.1000000000E+01 0.1000000000E+01 7 0.2088954339E+02 0.1000000000E+01 0.1000000000E+01 8 0.1018237212E+02 0.1000000000E+01 0.1000000000E+01 9 0.5054584303E+01 0.1000000000E+01 0.1000000000E+01 10 0.2481289948E+01 0.1000000000E+01 0.1000000000E+01 11 0.1169672582E+01 0.1000000000E+01 0.1000000000E+01 12 0.5141442170E+00 0.1000000000E+01 0.1000000000E+01 13 0.2046343715E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.1183758983E+05 0.1000000000E+01 0.1000000000E+01 2 0.2790655680E+04 0.1000000000E+01 0.1000000000E+01 3 0.7991547895E+03 0.1000000000E+01 0.1000000000E+01 4 0.2699456738E+03 0.1000000000E+01 0.1000000000E+01 5 0.1044435874E+03 0.1000000000E+01 0.1000000000E+01 6 0.4494550478E+02 0.1000000000E+01 0.1000000000E+01 7 0.2088954339E+02 0.1000000000E+01 0.1000000000E+01 8 0.1018237212E+02 0.1000000000E+01 0.1000000000E+01 9 0.5054584303E+01 0.1000000000E+01 0.1000000000E+01 10 0.2481289948E+01 0.1000000000E+01 0.1000000000E+01 11 0.1169672582E+01 0.1000000000E+01 0.1000000000E+01 12 0.5141442170E+00 0.1000000000E+01 0.1000000000E+01 13 0.2046343715E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.1184181440E+03 0.1000000000E+01 0.1000000000E+01 2 0.3787208488E+02 0.1000000000E+01 0.1000000000E+01 3 0.1403033622E+02 0.1000000000E+01 0.1000000000E+01 4 0.5803339846E+01 0.1000000000E+01 0.1000000000E+01 5 0.2583224488E+01 0.1000000000E+01 0.1000000000E+01 6 0.1192706740E+01 0.1000000000E+01 0.1000000000E+01 7 0.5505613716E+00 0.1000000000E+01 0.1000000000E+01 8 0.2449015306E+00 0.1000000000E+01 0.1000000000E+01 9 0.1011822004E+00 0.1000000000E+01 0.1000000000E+01 10 0.3742456470E-01 0.1000000000E+01 0.1000000000E+01 D+ 1 0.1184181440E+03 0.1000000000E+01 0.1000000000E+01 2 0.3787208488E+02 0.1000000000E+01 0.1000000000E+01 3 0.1403033622E+02 0.1000000000E+01 0.1000000000E+01 4 0.5803339846E+01 0.1000000000E+01 0.1000000000E+01 5 0.2583224488E+01 0.1000000000E+01 0.1000000000E+01 6 0.1192706740E+01 0.1000000000E+01 0.1000000000E+01 7 0.5505613716E+00 0.1000000000E+01 0.1000000000E+01 8 0.2449015306E+00 0.1000000000E+01 0.1000000000E+01 9 0.1011822004E+00 0.1000000000E+01 0.1000000000E+01 10 0.3742456470E-01 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 3 2 2 0 0 OPEN SHELLS 1 0 0 1 1 NUMBER OF OPEN SHELL CONFG 3 CONF OPEN SHELL OCCUPATION NUMBERS 1 1.0 0.0 0.0 2.0 0.0 2 1.0 0.0 0.0 1.0 1.0 3 1.0 0.0 0.0 0.0 2.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -1.6676080E+02 -1.9120341E+01 -2.4536067E+00 -1.8819450E-01 ------------ ------------ ------------ ------------ 1 -5.6993971E-06 -1.6883713E-06 -5.8940301E-07 -1.2485016E-07 2 -1.7781832E-05 -5.2726031E-06 -1.8416318E-06 -3.9011995E-07 3 -7.5909532E-05 -2.2546073E-05 -7.8712008E-06 -1.6673445E-06 4 -2.9679842E-04 -8.8202123E-05 -3.0821012E-05 -6.5292101E-06 5 -1.1314526E-03 -3.3704701E-04 -1.1767852E-04 -2.4928187E-05 6 -3.9959665E-03 -1.1924901E-03 -4.1699203E-04 -8.8343047E-05 7 -1.2949615E-02 -3.8971526E-03 -1.3617708E-03 -2.8849955E-04 8 -3.7845491E-02 -1.1569271E-02 -4.0576373E-03 -8.5993063E-04 9 -9.7567531E-02 -3.1114820E-02 -1.0935736E-02 -2.3184546E-03 10 -2.0989723E-01 -7.2880631E-02 -2.5940401E-02 -5.5069331E-03 11 -3.3894043E-01 -1.4229513E-01 -5.1528817E-02 -1.0963902E-02 12 -3.2171448E-01 -1.8896305E-01 -7.1879537E-02 -1.5377544E-02 13 -1.1714221E-01 -6.3852436E-02 -2.4757345E-02 -5.3252064E-03 14 -7.6210754E-03 3.4334443E-01 1.5947486E-01 3.5001608E-02 15 -1.3609843E-03 6.0281480E-01 4.3258405E-01 1.0035272E-01 16 4.3145628E-04 2.1498905E-01 1.9589228E-01 4.5181862E-02 17 -1.6827265E-04 4.3803427E-03 -5.8566070E-01 -1.6377338E-01 18 1.2717339E-04 3.9546691E-03 -6.2670576E-01 -2.5514899E-01 19 -4.9485834E-05 -1.1141501E-03 -8.1999866E-02 -1.6981897E-01 20 1.9816143E-05 4.7305732E-04 8.3617187E-04 5.2231289E-01 21 -5.2793206E-06 -1.2758815E-04 -5.4652884E-04 6.9195238E-01 22 -2.5502276E-05 -7.5467782E-06 -2.6335851E-06 -5.5784107E-07 23 -7.2531519E-05 -2.1448181E-05 -7.4910562E-06 -1.5868309E-06 24 -2.0703183E-04 -6.1281848E-05 -2.1382691E-05 -4.5292066E-06 25 -5.2388521E-04 -1.5496788E-04 -5.4131345E-05 -1.1466768E-05 26 -1.2187842E-03 -3.6124494E-04 -1.2604836E-04 -2.6699327E-05 27 -2.6147653E-03 -7.7610338E-04 -2.7124818E-04 -5.7462388E-05 28 -5.2059749E-03 -1.5583865E-03 -5.4421029E-04 -1.1528617E-04 29 -9.5543013E-03 -2.9055184E-03 -1.0185027E-03 -2.1583654E-04 30 -1.5835572E-02 -5.0255262E-03 -1.7653534E-03 -3.7424433E-04 31 -2.2388195E-02 -7.7386786E-03 -2.7531938E-03 -5.8444956E-04 32 -2.4199551E-02 -1.0117599E-02 -3.6623349E-03 -7.7920519E-04 33 -1.5587868E-02 -9.1224728E-03 -3.4691339E-03 -7.4214632E-04 34 -3.8838305E-03 -2.1156542E-03 -8.2072181E-04 -1.7654116E-04 35 -1.7339875E-04 7.7769249E-03 3.6102452E-03 7.9232737E-04 36 -2.1126802E-05 9.3512807E-03 6.7077423E-03 1.5560353E-03 37 4.5352834E-06 2.2633717E-03 2.0619048E-03 4.7559651E-04 38 -1.1761072E-06 3.0797013E-05 -4.1204655E-03 -1.1521896E-03 39 5.8135708E-07 1.8241808E-05 -2.8876255E-03 -1.1755780E-03 40 -1.4282025E-07 -3.2803400E-06 -2.4088282E-04 -4.9882718E-04 41 3.4771375E-08 8.5998602E-07 1.5173212E-06 9.4644061E-04 42 -5.3246005E-09 -1.3791366E-07 -5.8813432E-07 7.4389407E-04 2P- 3P- -1.5661566E+01 -1.4650000E+00 ------------ ------------ 1 1.3157453E-04 4.3633692E-05 2 5.5375011E-04 1.8416465E-04 3 3.2628855E-03 1.0857253E-03 4 1.5391434E-02 5.1690206E-03 5 5.5922396E-02 1.9046319E-02 6 1.4943846E-01 5.2666956E-02 7 2.8030745E-01 1.0204681E-01 8 3.6217883E-01 1.4119841E-01 9 2.6116757E-01 8.2696954E-02 10 6.7612311E-02 -1.7316129E-01 11 3.9569139E-03 -4.6318576E-01 12 3.7398067E-04 -4.2848565E-01 13 3.8536900E-05 -9.9105964E-02 14 3.9751939E-05 1.3175360E-05 15 1.7497550E-04 5.8222028E-05 16 6.6760308E-04 2.2213303E-04 17 1.9845066E-03 6.6649329E-04 18 4.5881141E-03 1.5626614E-03 19 8.1206275E-03 2.8621604E-03 20 1.0416945E-02 3.7929529E-03 21 9.4125030E-03 3.6703687E-03 22 4.7797160E-03 1.5144645E-03 23 8.6353197E-04 -2.2257931E-03 24 2.9870495E-05 -4.0875690E-03 25 6.7842628E-07 -2.5068733E-03 26 -2.2207545E-06 -3.6602674E-04 2P+ 3P+ -1.5486648E+01 -1.4450559E+00 ------------ ------------ 1 -3.9895498E-05 -1.3219915E-05 2 -3.7893937E-04 -1.2610239E-04 3 -2.7707964E-03 -9.2184508E-04 4 -1.4379248E-02 -4.8287126E-03 5 -5.3934068E-02 -1.8364686E-02 6 -1.4660074E-01 -5.1644908E-02 7 -2.7788615E-01 -1.0112221E-01 8 -3.6277287E-01 -1.4143692E-01 9 -2.6498923E-01 -8.5737123E-02 10 -7.0060740E-02 1.6798627E-01 11 -4.1915709E-03 4.6048733E-01 12 -3.9598723E-04 4.3303969E-01 13 -3.6359574E-05 1.0298414E-01 14 -3.2060367E-05 -1.0616379E-05 15 -1.5650056E-04 -5.2054789E-05 16 -6.2618659E-04 -2.0822167E-04 17 -1.9095318E-03 -6.4094624E-04 18 -4.4782952E-03 -1.5242012E-03 19 -8.0054358E-03 -2.8191116E-03 20 -1.0356594E-02 -3.7675397E-03 21 -9.4443873E-03 -3.6811092E-03 22 -4.8619544E-03 -1.5729274E-03 23 -9.0071861E-04 2.1585425E-03 24 -3.7001071E-05 4.0631670E-03 25 -2.3154799E-06 2.5333754E-03 26 -1.3464318E-07 3.8009642E-04 3D- -1.8824146E-01 ------------ 1 -6.6202962E-04 2 -5.1471258E-03 3 -2.3267143E-02 4 -6.9242048E-02 5 -1.5319715E-01 6 -2.3411010E-01 7 -2.8658733E-01 8 -3.0498704E-01 9 -2.5845356E-01 10 -9.7557292E-02 11 -6.7722987E-05 12 -3.0383177E-04 13 -8.3914114E-04 14 -1.6087586E-03 15 -2.3758144E-03 16 -2.4677025E-03 17 -2.0525546E-03 18 -1.4569320E-03 19 -7.9359705E-04 20 -1.8217835E-04 3D+ -1.8770366E-01 ------------ 1 -6.3725014E-04 2 -5.0715068E-03 3 -2.3072188E-02 4 -6.8853237E-02 5 -1.5248443E-01 6 -2.3340234E-01 7 -2.8632493E-01 8 -3.0536096E-01 9 -2.5944201E-01 10 -9.8469197E-02 11 -6.6516475E-05 12 -3.0066166E-04 13 -8.3354694E-04 14 -1.6007014E-03 15 -2.3655969E-03 16 -2.4605875E-03 17 -2.0508735E-03 18 -1.4587877E-03 19 -7.9666636E-04 20 -1.8389278E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -1.6676080E+02 -1.9120341E+01 -2.4536067E+00 -1.8819450E-01 ------------ ------------ ------------ ------------ 1 -5.6995465E-06 -1.6884158E-06 -5.8941859E-07 -1.2485346E-07 2 -1.7782174E-05 -5.2727039E-06 -1.8416669E-06 -3.9012737E-07 3 -7.5909058E-05 -2.2545932E-05 -7.8711519E-06 -1.6673341E-06 4 -2.9679902E-04 -8.8202301E-05 -3.0821074E-05 -6.5292226E-06 5 -1.1314520E-03 -3.3704683E-04 -1.1767846E-04 -2.4928173E-05 6 -3.9959672E-03 -1.1924904E-03 -4.1699211E-04 -8.8343060E-05 7 -1.2949614E-02 -3.8971523E-03 -1.3617707E-03 -2.8849951E-04 8 -3.7845492E-02 -1.1569271E-02 -4.0576374E-03 -8.5993062E-04 9 -9.7567530E-02 -3.1114819E-02 -1.0935736E-02 -2.3184544E-03 10 -2.0989723E-01 -7.2880632E-02 -2.5940401E-02 -5.5069330E-03 11 -3.3894043E-01 -1.4229513E-01 -5.1528817E-02 -1.0963901E-02 12 -3.2171448E-01 -1.8896305E-01 -7.1879537E-02 -1.5377544E-02 13 -1.1714221E-01 -6.3852433E-02 -2.4757346E-02 -5.3252041E-03 14 -7.6210758E-03 3.4334442E-01 1.5947486E-01 3.5001600E-02 15 -1.3609841E-03 6.0281480E-01 4.3258405E-01 1.0035272E-01 16 4.3145624E-04 2.1498905E-01 1.9589228E-01 4.5181841E-02 17 -1.6827275E-04 4.3803431E-03 -5.8566071E-01 -1.6377335E-01 18 1.2717343E-04 3.9546699E-03 -6.2670575E-01 -2.5514905E-01 19 -4.9485798E-05 -1.1141532E-03 -8.1999866E-02 -1.6981879E-01 20 1.9816165E-05 4.7305934E-04 8.3617629E-04 5.2231257E-01 21 -5.2793295E-06 -1.2758914E-04 -5.4653141E-04 6.9195258E-01 22 -2.5521916E-05 -7.5525884E-06 -2.6356134E-06 -5.5827070E-07 23 -7.2522825E-05 -2.1445609E-05 -7.4901584E-06 -1.5866407E-06 24 -2.0703588E-04 -6.1283046E-05 -2.1383109E-05 -4.5292949E-06 25 -5.2388325E-04 -1.5496730E-04 -5.4131143E-05 -1.1466724E-05 26 -1.2187854E-03 -3.6124529E-04 -1.2604848E-04 -2.6699351E-05 27 -2.6147646E-03 -7.7610318E-04 -2.7124811E-04 -5.7462371E-05 28 -5.2059754E-03 -1.5583867E-03 -5.4421034E-04 -1.1528617E-04 29 -9.5543010E-03 -2.9055183E-03 -1.0185027E-03 -2.1583653E-04 30 -1.5835572E-02 -5.0255262E-03 -1.7653534E-03 -3.7424431E-04 31 -2.2388195E-02 -7.7386786E-03 -2.7531938E-03 -5.8444953E-04 32 -2.4199552E-02 -1.0117599E-02 -3.6623349E-03 -7.7920513E-04 33 -1.5587868E-02 -9.1224729E-03 -3.4691339E-03 -7.4214631E-04 34 -3.8838306E-03 -2.1156541E-03 -8.2072184E-04 -1.7654109E-04 35 -1.7339867E-04 7.7769249E-03 3.6102452E-03 7.9232721E-04 36 -2.1126851E-05 9.3512807E-03 6.7077423E-03 1.5560354E-03 37 4.5353139E-06 2.2633717E-03 2.0619049E-03 4.7559629E-04 38 -1.1761247E-06 3.0797012E-05 -4.1204656E-03 -1.1521894E-03 39 5.8136584E-07 1.8241814E-05 -2.8876255E-03 -1.1755783E-03 40 -1.4282417E-07 -3.2803505E-06 -2.4088283E-04 -4.9882665E-04 41 3.4773221E-08 8.5999092E-07 1.5173298E-06 9.4644003E-04 42 -5.3252545E-09 -1.3791523E-07 -5.8813733E-07 7.4389429E-04 2P- 3P- -1.5661566E+01 -1.4650000E+00 ------------ ------------ 1 1.3157453E-04 4.3633692E-05 2 5.5375011E-04 1.8416465E-04 3 3.2628855E-03 1.0857253E-03 4 1.5391434E-02 5.1690206E-03 5 5.5922396E-02 1.9046319E-02 6 1.4943846E-01 5.2666956E-02 7 2.8030745E-01 1.0204681E-01 8 3.6217883E-01 1.4119841E-01 9 2.6116757E-01 8.2696954E-02 10 6.7612311E-02 -1.7316129E-01 11 3.9569138E-03 -4.6318576E-01 12 3.7398068E-04 -4.2848565E-01 13 3.8536874E-05 -9.9105965E-02 14 3.9751939E-05 1.3175360E-05 15 1.7497550E-04 5.8222028E-05 16 6.6760308E-04 2.2213303E-04 17 1.9845066E-03 6.6649329E-04 18 4.5881141E-03 1.5626614E-03 19 8.1206275E-03 2.8621604E-03 20 1.0416945E-02 3.7929529E-03 21 9.4125030E-03 3.6703687E-03 22 4.7797160E-03 1.5144645E-03 23 8.6353197E-04 -2.2257931E-03 24 2.9870495E-05 -4.0875690E-03 25 6.7842636E-07 -2.5068733E-03 26 -2.2207546E-06 -3.6602674E-04 2P+ 3P+ -1.5486648E+01 -1.4450559E+00 ------------ ------------ 1 -3.9895498E-05 -1.3219915E-05 2 -3.7893937E-04 -1.2610239E-04 3 -2.7707964E-03 -9.2184508E-04 4 -1.4379248E-02 -4.8287126E-03 5 -5.3934068E-02 -1.8364686E-02 6 -1.4660074E-01 -5.1644908E-02 7 -2.7788615E-01 -1.0112221E-01 8 -3.6277287E-01 -1.4143692E-01 9 -2.6498923E-01 -8.5737123E-02 10 -7.0060740E-02 1.6798627E-01 11 -4.1915710E-03 4.6048733E-01 12 -3.9598706E-04 4.3303969E-01 13 -3.6359693E-05 1.0298414E-01 14 -3.2060367E-05 -1.0616379E-05 15 -1.5650056E-04 -5.2054789E-05 16 -6.2618659E-04 -2.0822167E-04 17 -1.9095318E-03 -6.4094624E-04 18 -4.4782952E-03 -1.5242012E-03 19 -8.0054358E-03 -2.8191116E-03 20 -1.0356594E-02 -3.7675397E-03 21 -9.4443873E-03 -3.6811092E-03 22 -4.8619544E-03 -1.5729274E-03 23 -9.0071861E-04 2.1585425E-03 24 -3.7001072E-05 4.0631670E-03 25 -2.3154790E-06 2.5333754E-03 26 -1.3464360E-07 3.8009643E-04 3D- -1.8824146E-01 ------------ 1 -6.6202962E-04 2 -5.1471258E-03 3 -2.3267143E-02 4 -6.9242047E-02 5 -1.5319715E-01 6 -2.3411010E-01 7 -2.8658733E-01 8 -3.0498704E-01 9 -2.5845356E-01 10 -9.7557293E-02 11 -6.7722987E-05 12 -3.0383177E-04 13 -8.3914114E-04 14 -1.6087586E-03 15 -2.3758144E-03 16 -2.4677025E-03 17 -2.0525546E-03 18 -1.4569320E-03 19 -7.9359705E-04 20 -1.8217835E-04 3D+ -1.8770366E-01 ------------ 1 -6.3725014E-04 2 -5.0715068E-03 3 -2.3072188E-02 4 -6.8853237E-02 5 -1.5248443E-01 6 -2.3340234E-01 7 -2.8632493E-01 8 -3.0536096E-01 9 -2.5944201E-01 10 -9.8469201E-02 11 -6.6516475E-05 12 -3.0066166E-04 13 -8.3354694E-04 14 -1.6007014E-03 15 -2.3655969E-03 16 -2.4605875E-03 17 -2.0508735E-03 18 -1.4587877E-03 19 -7.9666636E-04 20 -1.8389278E-04 ******************** TITANIUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1302524683E+08 0.1000000000E+01 0.1000000000E+01 2 0.2525880018E+07 0.1000000000E+01 0.1000000000E+01 3 0.5645888088E+06 0.1000000000E+01 0.1000000000E+01 4 0.1436945932E+06 0.1000000000E+01 0.1000000000E+01 5 0.4113703856E+05 0.1000000000E+01 0.1000000000E+01 6 0.1308596865E+05 0.1000000000E+01 0.1000000000E+01 7 0.4569353983E+04 0.1000000000E+01 0.1000000000E+01 8 0.1730117619E+04 0.1000000000E+01 0.1000000000E+01 9 0.7017205122E+03 0.1000000000E+01 0.1000000000E+01 10 0.3011731514E+03 0.1000000000E+01 0.1000000000E+01 11 0.1351225070E+03 0.1000000000E+01 0.1000000000E+01 12 0.6260288035E+02 0.1000000000E+01 0.1000000000E+01 13 0.2958774982E+02 0.1000000000E+01 0.1000000000E+01 14 0.1409212160E+02 0.1000000000E+01 0.1000000000E+01 15 0.6681646098E+01 0.1000000000E+01 0.1000000000E+01 16 0.3115509066E+01 0.1000000000E+01 0.1000000000E+01 17 0.1411265920E+01 0.1000000000E+01 0.1000000000E+01 18 0.6135059712E+00 0.1000000000E+01 0.1000000000E+01 19 0.2528451688E+00 0.1000000000E+01 0.1000000000E+01 20 0.9759156274E-01 0.1000000000E+01 0.1000000000E+01 21 0.3484876988E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.1535788547E+05 0.1000000000E+01 0.1000000000E+01 2 0.3507922979E+04 0.1000000000E+01 0.1000000000E+01 3 0.9810760917E+03 0.1000000000E+01 0.1000000000E+01 4 0.3259387686E+03 0.1000000000E+01 0.1000000000E+01 5 0.1247948607E+03 0.1000000000E+01 0.1000000000E+01 6 0.5342338463E+02 0.1000000000E+01 0.1000000000E+01 7 0.2480771611E+02 0.1000000000E+01 0.1000000000E+01 8 0.1212298366E+02 0.1000000000E+01 0.1000000000E+01 9 0.6048480364E+01 0.1000000000E+01 0.1000000000E+01 10 0.2989122518E+01 0.1000000000E+01 0.1000000000E+01 11 0.1419542861E+01 0.1000000000E+01 0.1000000000E+01 12 0.6285029537E+00 0.1000000000E+01 0.1000000000E+01 13 0.2516904992E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.1535788547E+05 0.1000000000E+01 0.1000000000E+01 2 0.3507922979E+04 0.1000000000E+01 0.1000000000E+01 3 0.9810760917E+03 0.1000000000E+01 0.1000000000E+01 4 0.3259387686E+03 0.1000000000E+01 0.1000000000E+01 5 0.1247948607E+03 0.1000000000E+01 0.1000000000E+01 6 0.5342338463E+02 0.1000000000E+01 0.1000000000E+01 7 0.2480771611E+02 0.1000000000E+01 0.1000000000E+01 8 0.1212298366E+02 0.1000000000E+01 0.1000000000E+01 9 0.6048480364E+01 0.1000000000E+01 0.1000000000E+01 10 0.2989122518E+01 0.1000000000E+01 0.1000000000E+01 11 0.1419542861E+01 0.1000000000E+01 0.1000000000E+01 12 0.6285029537E+00 0.1000000000E+01 0.1000000000E+01 13 0.2516904992E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.2244215807E+03 0.1000000000E+01 0.1000000000E+01 2 0.6640364786E+02 0.1000000000E+01 0.1000000000E+01 3 0.2326283217E+02 0.1000000000E+01 0.1000000000E+01 4 0.9271507192E+01 0.1000000000E+01 0.1000000000E+01 5 0.4039512601E+01 0.1000000000E+01 0.1000000000E+01 6 0.1848724702E+01 0.1000000000E+01 0.1000000000E+01 7 0.8539922777E+00 0.1000000000E+01 0.1000000000E+01 8 0.3826025312E+00 0.1000000000E+01 0.1000000000E+01 9 0.1597451581E+00 0.1000000000E+01 0.1000000000E+01 10 0.5972653374E-01 0.1000000000E+01 0.1000000000E+01 D+ 1 0.2244215807E+03 0.1000000000E+01 0.1000000000E+01 2 0.6640364786E+02 0.1000000000E+01 0.1000000000E+01 3 0.2326283217E+02 0.1000000000E+01 0.1000000000E+01 4 0.9271507192E+01 0.1000000000E+01 0.1000000000E+01 5 0.4039512601E+01 0.1000000000E+01 0.1000000000E+01 6 0.1848724702E+01 0.1000000000E+01 0.1000000000E+01 7 0.8539922777E+00 0.1000000000E+01 0.1000000000E+01 8 0.3826025312E+00 0.1000000000E+01 0.1000000000E+01 9 0.1597451581E+00 0.1000000000E+01 0.1000000000E+01 10 0.5972653374E-01 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 4 2 2 0 0 OPEN SHELLS 0 0 0 1 1 NUMBER OF OPEN SHELL CONFG 3 CONF OPEN SHELL OCCUPATION NUMBERS 1 0.0 0.0 0.0 2.0 0.0 2 0.0 0.0 0.0 1.0 1.0 3 0.0 0.0 0.0 0.0 2.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -1.8448265E+02 -2.1667205E+01 -2.9145540E+00 -2.2360093E-01 ------------ ------------ ------------ ------------ 1 6.6427875E-06 1.9864806E-06 -7.1112749E-07 -1.6660669E-07 2 2.0524266E-05 6.1441742E-06 -2.2002350E-06 -5.1569315E-07 3 8.6598875E-05 2.5970246E-05 -9.2988124E-06 -2.1782216E-06 4 3.3419353E-04 1.0029410E-04 -3.5928818E-05 -8.4228859E-06 5 1.2587405E-03 3.7871529E-04 -1.3563393E-04 -3.1766305E-05 6 4.3925556E-03 1.3243041E-03 -4.7471420E-04 -1.1132279E-04 7 1.4053527E-02 4.2750690E-03 -1.5327098E-03 -3.5892043E-04 8 4.0479273E-02 1.2521487E-02 -4.5022056E-03 -1.0565639E-03 9 1.0251730E-01 3.3153859E-02 -1.1964647E-02 -2.8028427E-03 10 2.1584760E-01 7.6277641E-02 -2.7852648E-02 -6.5536942E-03 11 3.3926860E-01 1.4579352E-01 -5.4347018E-02 -1.2768868E-02 12 3.1244709E-01 1.8784288E-01 -7.3395071E-02 -1.7471886E-02 13 1.1101538E-01 5.6116903E-02 -2.2752537E-02 -5.2300570E-03 14 7.3089892E-03 -3.5089768E-01 1.7082997E-01 4.1238635E-02 15 1.2077511E-03 -5.9599564E-01 4.4397648E-01 1.1582998E-01 16 -3.6963894E-04 -2.1161509E-01 1.9147055E-01 4.7126565E-02 17 1.2900706E-04 -5.6760191E-03 -6.0121341E-01 -1.8469318E-01 18 -1.0733881E-04 -3.5574938E-03 -6.2562685E-01 -3.1643350E-01 19 4.0529770E-05 9.4882522E-04 -7.2437313E-02 -1.1481553E-01 20 -1.6210885E-05 -4.0205968E-04 5.0373572E-04 6.0792013E-01 21 4.1994667E-06 1.0355612E-04 1.0682917E-04 6.0266871E-01 22 2.8639079E-05 8.5546622E-06 -3.0616636E-06 -7.1712383E-07 23 8.1581177E-05 2.4351332E-05 -8.7184772E-06 -2.0438100E-06 24 2.3221066E-04 6.9381556E-05 -2.4830084E-05 -5.8150596E-06 25 5.8542231E-04 1.7480779E-04 -6.2591688E-05 -1.4674275E-05 26 1.3551448E-03 4.0548934E-04 -1.4512876E-04 -3.3984609E-05 27 2.8896451E-03 8.6605414E-04 -3.1025690E-04 -7.2754887E-05 28 5.7083527E-03 1.7263400E-03 -6.1852238E-04 -1.4482427E-04 29 1.0373837E-02 3.1906187E-03 -1.1465178E-03 -2.6904734E-04 30 1.6969346E-02 5.4586124E-03 -1.9687638E-03 -4.6116124E-04 31 2.3593113E-02 8.2962918E-03 -3.0278335E-03 -7.1240786E-04 32 2.4948282E-02 1.0672411E-02 -3.9764977E-03 -9.3422012E-04 33 1.5675116E-02 9.3864461E-03 -3.6664134E-03 -8.7276863E-04 34 3.8323556E-03 1.9370209E-03 -7.8588217E-04 -1.8069489E-04 35 1.7419155E-04 -8.3204107E-03 4.0482539E-03 9.7716999E-04 36 1.9731333E-05 -9.7388502E-03 7.2513790E-03 1.8917492E-03 37 -4.1078432E-06 -2.3617829E-03 2.1365278E-03 5.2590884E-04 38 9.5472954E-07 -4.2599532E-05 -4.5136081E-03 -1.3865045E-03 39 -5.2384615E-07 -1.7630234E-05 -3.0970016E-03 -1.5663338E-03 40 1.2493037E-07 3.0225095E-06 -2.3021123E-04 -3.6486845E-04 41 -3.0337389E-08 -7.9641225E-07 9.9697663E-07 1.2001852E-03 42 4.4531362E-09 1.2286825E-07 1.2537239E-07 7.1100007E-04 2P- 3P- -1.7976129E+01 -1.8225750E+00 ------------ ------------ 1 -1.2241574E-04 -4.2042719E-05 2 -4.9541324E-04 -1.7064111E-04 3 -2.8888812E-03 -9.9528052E-04 4 -1.3825487E-02 -4.8073437E-03 5 -5.1206952E-02 -1.8041021E-02 6 -1.3994943E-01 -5.1028451E-02 7 -2.6961324E-01 -1.0160630E-01 8 -3.5992145E-01 -1.4509314E-01 9 -2.7560338E-01 -9.5480137E-02 10 -7.9541962E-02 1.5528674E-01 11 -5.2734455E-03 4.6444425E-01 12 -4.7131776E-04 4.4164061E-01 13 -6.1554915E-08 9.9978821E-02 14 -3.6351579E-05 -1.2475643E-05 15 -1.6433510E-04 -5.6642946E-05 16 -6.3963706E-04 -2.2035198E-04 17 -1.9430412E-03 -6.7566227E-04 18 -4.5785113E-03 -1.6130930E-03 19 -8.2808494E-03 -3.0195768E-03 20 -1.0912577E-02 -4.1132460E-03 21 -1.0203475E-02 -4.1142585E-03 22 -5.5168067E-03 -1.9126756E-03 23 -1.1153492E-03 2.1909167E-03 24 -4.4942404E-05 4.5153486E-03 25 -1.1844614E-06 2.8568045E-03 26 3.0129956E-06 4.0954659E-04 2P+ 3P+ -1.7759208E+01 -1.7965520E+00 ------------ ------------ 1 -3.1472354E-05 1.0800135E-05 2 -3.1415976E-04 1.0832098E-04 3 -2.3811672E-03 8.2037287E-04 4 -1.2762157E-02 4.4382339E-03 5 -4.9106599E-02 1.7299878E-02 6 -1.3686758E-01 4.9892318E-02 7 -2.6683289E-01 1.0053097E-01 8 -3.6023789E-01 1.4524104E-01 9 -2.7966119E-01 9.8710972E-02 10 -8.2490245E-02 -1.4951344E-01 11 -5.6213757E-03 -4.6123468E-01 12 -4.9455748E-04 -4.4665302E-01 13 2.5159203E-06 -1.0421585E-01 14 -2.8283802E-05 9.6980743E-06 15 -1.4432126E-04 4.9734718E-05 16 -5.9407130E-04 2.0454678E-04 17 -1.8590757E-03 6.4617949E-04 18 -4.4534437E-03 1.5681195E-03 19 -8.1454855E-03 2.9679739E-03 20 -1.0835734E-02 4.0809182E-03 21 -1.0232751E-02 4.1243064E-03 22 -5.6131227E-03 1.9809509E-03 23 -1.1640482E-03 -2.1084910E-03 24 -5.4668444E-05 -4.4834087E-03 25 -3.1977701E-06 -2.8890529E-03 26 9.8348245E-09 -4.2658458E-04 3D- -3.9769992E-01 ------------ 1 3.1119454E-04 2 3.0905299E-03 3 1.7900691E-02 4 6.1096033E-02 5 1.5251892E-01 6 2.6095398E-01 7 3.2757882E-01 8 3.1698242E-01 9 1.8920257E-01 10 3.5464080E-02 11 4.2888360E-05 12 2.4025576E-04 13 8.2988875E-04 14 1.7931207E-03 15 2.9570974E-03 16 3.4241800E-03 17 2.9218525E-03 18 1.8925872E-03 19 7.2994098E-04 20 8.3642849E-05 3D+ -3.9632149E-01 ------------ 1 2.9252011E-04 2 3.0243361E-03 3 1.7708429E-02 4 6.0727123E-02 5 1.5183084E-01 6 2.6018532E-01 7 3.2736595E-01 8 3.1766591E-01 9 1.9032749E-01 10 3.5918456E-02 11 4.1866483E-05 12 2.3705237E-04 13 8.2333829E-04 14 1.7840282E-03 15 2.9452498E-03 16 3.4148658E-03 17 2.9203453E-03 18 1.8968288E-03 19 7.3434709E-04 20 8.4740287E-05 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -1.8448265E+02 -2.1667205E+01 -2.9145540E+00 -2.2360093E-01 ------------ ------------ ------------ ------------ 1 -6.6429570E-06 1.9865316E-06 -7.1114580E-07 -1.6661099E-07 2 -2.0524727E-05 6.1443114E-06 -2.2002840E-06 -5.1570463E-07 3 -8.6598246E-05 2.5970058E-05 -9.2987454E-06 -2.1782059E-06 4 -3.3419432E-04 1.0029434E-04 -3.5928903E-05 -8.4229058E-06 5 -1.2587397E-03 3.7871505E-04 -1.3563384E-04 -3.1766284E-05 6 -4.3925567E-03 1.3243044E-03 -4.7471432E-04 -1.1132281E-04 7 -1.4053526E-02 4.2750687E-03 -1.5327097E-03 -3.5892041E-04 8 -4.0479275E-02 1.2521488E-02 -4.5022057E-03 -1.0565640E-03 9 -1.0251730E-01 3.3153859E-02 -1.1964647E-02 -2.8028427E-03 10 -2.1584760E-01 7.6277642E-02 -2.7852648E-02 -6.5536943E-03 11 -3.3926860E-01 1.4579352E-01 -5.4347018E-02 -1.2768868E-02 12 -3.1244709E-01 1.8784288E-01 -7.3395072E-02 -1.7471887E-02 13 -1.1101538E-01 5.6116902E-02 -2.2752536E-02 -5.2300562E-03 14 -7.3089904E-03 -3.5089768E-01 1.7082997E-01 4.1238634E-02 15 -1.2077502E-03 -5.9599564E-01 4.4397648E-01 1.1582998E-01 16 3.6963837E-04 -2.1161509E-01 1.9147055E-01 4.7126561E-02 17 -1.2900674E-04 -5.6760192E-03 -6.0121342E-01 -1.8469317E-01 18 1.0733866E-04 -3.5574938E-03 -6.2562685E-01 -3.1643352E-01 19 -4.0529714E-05 9.4882537E-04 -7.2437302E-02 -1.1481548E-01 20 1.6210873E-05 -4.0205983E-04 5.0372587E-04 6.0792007E-01 21 -4.1994669E-06 1.0355618E-04 1.0683378E-04 6.0266874E-01 22 -2.8663115E-05 8.5618395E-06 -3.0642328E-06 -7.1772580E-07 23 -8.1570556E-05 2.4348161E-05 -8.7173420E-06 -2.0435440E-06 24 -2.3221563E-04 6.9383040E-05 -2.4830616E-05 -5.8151841E-06 25 -5.8541990E-04 1.7480707E-04 -6.2591431E-05 -1.4674215E-05 26 -1.3551463E-03 4.0548977E-04 -1.4512892E-04 -3.3984645E-05 27 -2.8896442E-03 8.6605389E-04 -3.1025681E-04 -7.2754866E-05 28 -5.7083533E-03 1.7263401E-03 -6.1852245E-04 -1.4482428E-04 29 -1.0373837E-02 3.1906186E-03 -1.1465177E-03 -2.6904733E-04 30 -1.6969347E-02 5.4586125E-03 -1.9687639E-03 -4.6116125E-04 31 -2.3593113E-02 8.2962918E-03 -3.0278334E-03 -7.1240786E-04 32 -2.4948282E-02 1.0672411E-02 -3.9764977E-03 -9.3422012E-04 33 -1.5675115E-02 9.3864460E-03 -3.6664134E-03 -8.7276864E-04 34 -3.8323558E-03 1.9370210E-03 -7.8588215E-04 -1.8069487E-04 35 -1.7419146E-04 -8.3204107E-03 4.0482540E-03 9.7716997E-04 36 -1.9731393E-05 -9.7388501E-03 7.2513790E-03 1.8917492E-03 37 4.1078798E-06 -2.3617829E-03 2.1365279E-03 5.2590879E-04 38 -9.5475012E-07 -4.2599526E-05 -4.5136081E-03 -1.3865044E-03 39 5.2385679E-07 -1.7630238E-05 -3.0970016E-03 -1.5663339E-03 40 -1.2493540E-07 3.0225115E-06 -2.3021120E-04 -3.6486830E-04 41 3.0339466E-08 -7.9641315E-07 9.9695771E-07 1.2001851E-03 42 -4.4537510E-09 1.2286852E-07 1.2537783E-07 7.1100010E-04 2P- 3P- -1.7976129E+01 -1.8225750E+00 ------------ ------------ 1 -1.2241574E-04 -4.2042719E-05 2 -4.9541324E-04 -1.7064111E-04 3 -2.8888812E-03 -9.9528052E-04 4 -1.3825487E-02 -4.8073437E-03 5 -5.1206952E-02 -1.8041021E-02 6 -1.3994943E-01 -5.1028451E-02 7 -2.6961324E-01 -1.0160630E-01 8 -3.5992145E-01 -1.4509314E-01 9 -2.7560338E-01 -9.5480138E-02 10 -7.9541962E-02 1.5528674E-01 11 -5.2734455E-03 4.6444425E-01 12 -4.7131777E-04 4.4164061E-01 13 -6.1543636E-08 9.9978821E-02 14 -3.6351579E-05 -1.2475643E-05 15 -1.6433510E-04 -5.6642946E-05 16 -6.3963706E-04 -2.2035198E-04 17 -1.9430412E-03 -6.7566227E-04 18 -4.5785113E-03 -1.6130930E-03 19 -8.2808494E-03 -3.0195768E-03 20 -1.0912577E-02 -4.1132460E-03 21 -1.0203475E-02 -4.1142585E-03 22 -5.5168067E-03 -1.9126756E-03 23 -1.1153492E-03 2.1909167E-03 24 -4.4942404E-05 4.5153486E-03 25 -1.1844614E-06 2.8568045E-03 26 3.0129956E-06 4.0954659E-04 2P+ 3P+ -1.7759208E+01 -1.7965520E+00 ------------ ------------ 1 -3.1472353E-05 1.0800135E-05 2 -3.1415976E-04 1.0832098E-04 3 -2.3811672E-03 8.2037287E-04 4 -1.2762157E-02 4.4382339E-03 5 -4.9106599E-02 1.7299878E-02 6 -1.3686758E-01 4.9892318E-02 7 -2.6683289E-01 1.0053097E-01 8 -3.6023789E-01 1.4524104E-01 9 -2.7966119E-01 9.8710972E-02 10 -8.2490245E-02 -1.4951344E-01 11 -5.6213756E-03 -4.6123468E-01 12 -4.9455753E-04 -4.4665302E-01 13 2.5159527E-06 -1.0421585E-01 14 -2.8283802E-05 9.6980742E-06 15 -1.4432126E-04 4.9734718E-05 16 -5.9407130E-04 2.0454678E-04 17 -1.8590757E-03 6.4617949E-04 18 -4.4534437E-03 1.5681195E-03 19 -8.1454855E-03 2.9679739E-03 20 -1.0835734E-02 4.0809182E-03 21 -1.0232751E-02 4.1243064E-03 22 -5.6131227E-03 1.9809509E-03 23 -1.1640482E-03 -2.1084910E-03 24 -5.4668443E-05 -4.4834087E-03 25 -3.1977704E-06 -2.8890529E-03 26 9.8349532E-09 -4.2658458E-04 3D- -3.9769992E-01 ------------ 1 3.1119454E-04 2 3.0905299E-03 3 1.7900691E-02 4 6.1096033E-02 5 1.5251892E-01 6 2.6095398E-01 7 3.2757882E-01 8 3.1698242E-01 9 1.8920257E-01 10 3.5464080E-02 11 4.2888360E-05 12 2.4025576E-04 13 8.2988875E-04 14 1.7931207E-03 15 2.9570974E-03 16 3.4241800E-03 17 2.9218525E-03 18 1.8925873E-03 19 7.2994097E-04 20 8.3642850E-05 3D+ -3.9632150E-01 ------------ 1 2.9252011E-04 2 3.0243361E-03 3 1.7708429E-02 4 6.0727123E-02 5 1.5183084E-01 6 2.6018532E-01 7 3.2736595E-01 8 3.1766591E-01 9 1.9032749E-01 10 3.5918456E-02 11 4.1866483E-05 12 2.3705237E-04 13 8.2333829E-04 14 1.7840282E-03 15 2.9452498E-03 16 3.4148658E-03 17 2.9203453E-03 18 1.8968288E-03 19 7.3434709E-04 20 8.4740287E-05 ____________________ SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1420630645E+08 0.1000000000E+01 0.1000000000E+01 2 0.2689067260E+07 0.1000000000E+01 0.1000000000E+01 3 0.5886866412E+06 0.1000000000E+01 0.1000000000E+01 4 0.1471906744E+06 0.1000000000E+01 0.1000000000E+01 5 0.4150893378E+05 0.1000000000E+01 0.1000000000E+01 6 0.1303825886E+05 0.1000000000E+01 0.1000000000E+01 7 0.4504700565E+04 0.1000000000E+01 0.1000000000E+01 8 0.1690566015E+04 0.1000000000E+01 0.1000000000E+01 9 0.6805652777E+03 0.1000000000E+01 0.1000000000E+01 10 0.2902220850E+03 0.1000000000E+01 0.1000000000E+01 11 0.1294689764E+03 0.1000000000E+01 0.1000000000E+01 12 0.5966602792E+02 0.1000000000E+01 0.1000000000E+01 13 0.2805215729E+02 0.1000000000E+01 0.1000000000E+01 14 0.1328723754E+02 0.1000000000E+01 0.1000000000E+01 15 0.6261580922E+01 0.1000000000E+01 0.1000000000E+01 16 0.2899116921E+01 0.1000000000E+01 0.1000000000E+01 17 0.1302361257E+01 0.1000000000E+01 0.1000000000E+01 18 0.5605737792E+00 0.1000000000E+01 0.1000000000E+01 19 0.2283080553E+00 0.1000000000E+01 0.1000000000E+01 20 0.8688571974E-01 0.1000000000E+01 0.1000000000E+01 21 0.3051166126E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.1438455617E+05 0.1000000000E+01 0.1000000000E+01 2 0.3398921375E+04 0.1000000000E+01 0.1000000000E+01 3 0.9722039038E+03 0.1000000000E+01 0.1000000000E+01 4 0.3271316006E+03 0.1000000000E+01 0.1000000000E+01 5 0.1258385883E+03 0.1000000000E+01 0.1000000000E+01 6 0.5377849982E+02 0.1000000000E+01 0.1000000000E+01 7 0.2481328939E+02 0.1000000000E+01 0.1000000000E+01 8 0.1201207721E+02 0.1000000000E+01 0.1000000000E+01 9 0.5929080027E+01 0.1000000000E+01 0.1000000000E+01 10 0.2899807958E+01 0.1000000000E+01 0.1000000000E+01 11 0.1365655618E+01 0.1000000000E+01 0.1000000000E+01 12 0.6018392293E+00 0.1000000000E+01 0.1000000000E+01 13 0.2411928524E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.1438455617E+05 0.1000000000E+01 0.1000000000E+01 2 0.3398921375E+04 0.1000000000E+01 0.1000000000E+01 3 0.9722039038E+03 0.1000000000E+01 0.1000000000E+01 4 0.3271316006E+03 0.1000000000E+01 0.1000000000E+01 5 0.1258385883E+03 0.1000000000E+01 0.1000000000E+01 6 0.5377849982E+02 0.1000000000E+01 0.1000000000E+01 7 0.2481328939E+02 0.1000000000E+01 0.1000000000E+01 8 0.1201207721E+02 0.1000000000E+01 0.1000000000E+01 9 0.5929080027E+01 0.1000000000E+01 0.1000000000E+01 10 0.2899807958E+01 0.1000000000E+01 0.1000000000E+01 11 0.1365655618E+01 0.1000000000E+01 0.1000000000E+01 12 0.6018392293E+00 0.1000000000E+01 0.1000000000E+01 13 0.2411928524E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.1549566491E+03 0.1000000000E+01 0.1000000000E+01 2 0.4800141881E+02 0.1000000000E+01 0.1000000000E+01 3 0.1755931844E+02 0.1000000000E+01 0.1000000000E+01 4 0.7281011420E+01 0.1000000000E+01 0.1000000000E+01 5 0.3284936661E+01 0.1000000000E+01 0.1000000000E+01 6 0.1547869249E+01 0.1000000000E+01 0.1000000000E+01 7 0.7311968019E+00 0.1000000000E+01 0.1000000000E+01 8 0.3323898752E+00 0.1000000000E+01 0.1000000000E+01 9 0.1395711111E+00 0.1000000000E+01 0.1000000000E+01 10 0.5196348690E-01 0.1000000000E+01 0.1000000000E+01 D+ 1 0.1549566491E+03 0.1000000000E+01 0.1000000000E+01 2 0.4800141881E+02 0.1000000000E+01 0.1000000000E+01 3 0.1755931844E+02 0.1000000000E+01 0.1000000000E+01 4 0.7281011420E+01 0.1000000000E+01 0.1000000000E+01 5 0.3284936661E+01 0.1000000000E+01 0.1000000000E+01 6 0.1547869249E+01 0.1000000000E+01 0.1000000000E+01 7 0.7311968019E+00 0.1000000000E+01 0.1000000000E+01 8 0.3323898752E+00 0.1000000000E+01 0.1000000000E+01 9 0.1395711111E+00 0.1000000000E+01 0.1000000000E+01 10 0.5196348690E-01 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 3 2 2 0 0 OPEN SHELLS 1 0 0 1 1 NUMBER OF OPEN SHELL CONFG 4 CONF OPEN SHELL OCCUPATION NUMBERS 1 1.0 0.0 0.0 3.0 0.0 2 1.0 0.0 0.0 2.0 1.0 3 1.0 0.0 0.0 1.0 2.0 4 1.0 0.0 0.0 0.0 3.0 UNIFORM SPHERE MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -1.8433933E+02 -2.1501162E+01 -2.7582043E+00 -1.9591970E-01 ------------ ------------ ------------ ------------ 1 6.1850466E-06 1.8496035E-06 -6.5627922E-07 1.3543223E-07 2 1.9721776E-05 5.9033515E-06 -2.0953285E-06 4.3238478E-07 3 8.3987221E-05 2.5188362E-05 -8.9391766E-06 1.8448363E-06 4 3.2966430E-04 9.8924117E-05 -3.5125345E-05 7.2484165E-06 5 1.2599899E-03 3.7913803E-04 -1.3458553E-04 2.7777256E-05 6 4.4582886E-03 1.3439611E-03 -4.7751309E-04 9.8541967E-05 7 1.4429394E-02 4.3910223E-03 -1.5603934E-03 3.2211081E-04 8 4.1929615E-02 1.2976233E-02 -4.6249239E-03 9.5471226E-04 9 1.0669164E-01 3.4590329E-02 -1.2375509E-02 2.5569885E-03 10 2.2411831E-01 7.9644662E-02 -2.8844924E-02 5.9649780E-03 11 3.4664853E-01 1.5128054E-01 -5.5989275E-02 1.1618480E-02 12 3.0521714E-01 1.8784098E-01 -7.2994959E-02 1.5212123E-02 13 9.8505623E-02 3.6375270E-02 -1.4454164E-02 3.0740510E-03 14 5.4852404E-03 -3.9142474E-01 1.9313635E-01 -4.1637971E-02 15 1.0091965E-03 -5.8559364E-01 4.5231099E-01 -1.0278514E-01 16 -2.9404485E-04 -1.7505974E-01 1.2331350E-01 -2.6436534E-02 17 7.8772513E-05 -3.9727316E-03 -6.4191738E-01 1.7809622E-01 18 -7.5215846E-05 -2.6085010E-03 -5.7104129E-01 2.4411470E-01 19 2.6799849E-05 5.4308863E-04 -5.8051627E-02 1.3285547E-01 20 -1.0644596E-05 -2.3300800E-04 -1.0558823E-03 -5.2994667E-01 21 2.8565219E-06 6.3104985E-05 4.6673337E-06 -6.6852500E-01 22 2.6910730E-05 8.0392413E-06 -2.8517788E-06 5.8851280E-07 23 7.9090613E-05 2.3605706E-05 -8.3769897E-06 1.7285345E-06 24 2.2803565E-04 6.8142626E-05 -2.4171272E-05 4.9882521E-06 25 5.8229903E-04 1.7385432E-04 -6.1701313E-05 1.2731568E-05 26 1.3616643E-03 4.0749914E-04 -1.4455939E-04 2.9833923E-05 27 2.9280012E-03 8.7743314E-04 -3.1156255E-04 6.4290184E-05 28 5.8221666E-03 1.7614241E-03 -6.2552558E-04 1.2911744E-04 29 1.0626765E-02 3.2699515E-03 -1.1647550E-03 2.4041917E-04 30 1.7398435E-02 5.6107706E-03 -2.0062159E-03 4.1449031E-04 31 2.4053838E-02 8.5058711E-03 -3.0790144E-03 6.3668465E-04 32 2.4956298E-02 1.0842069E-02 -4.0108560E-03 8.3225882E-04 33 1.4950310E-02 9.1648924E-03 -3.5604473E-03 7.4197243E-04 34 3.3111751E-03 1.2257999E-03 -4.8779093E-04 1.0374199E-04 35 1.2694951E-04 -9.0134724E-03 4.4448393E-03 -9.5819090E-04 36 1.5944201E-05 -9.2635231E-03 7.1518178E-03 -1.6251506E-03 37 -3.1414157E-06 -1.8847296E-03 1.3276070E-03 -2.8466520E-04 38 5.5135122E-07 -2.8642115E-05 -4.6295854E-03 1.2843866E-03 39 -3.4723959E-07 -1.2355018E-05 -2.7020921E-03 1.1550587E-03 40 7.6685483E-08 1.6439642E-06 -1.7531221E-04 4.0118318E-04 41 -1.8053063E-08 -4.3546927E-07 -1.9647410E-06 -9.8719185E-04 42 2.6269156E-09 7.0033196E-08 4.5389233E-09 -7.3798514E-04 2P- 3P- -1.7814220E+01 -1.6814509E+00 ------------ ------------ 1 1.2956047E-04 -4.3988235E-05 2 5.0440456E-04 -1.7172755E-04 3 2.8901392E-03 -9.8441845E-04 4 1.3636569E-02 -4.6861387E-03 5 5.0544853E-02 -1.7602129E-02 6 1.3967465E-01 -5.0306083E-02 7 2.7263114E-01 -1.0160608E-01 8 3.6566905E-01 -1.4559863E-01 9 2.7421563E-01 -9.1805716E-02 10 7.4072076E-02 1.6931581E-01 11 4.5603537E-03 4.6448377E-01 12 4.7595074E-04 4.2823982E-01 13 6.5367724E-05 1.0353309E-01 14 3.8444714E-05 -1.3045625E-05 15 1.6696210E-04 -5.6877719E-05 16 6.3718713E-04 -2.1702291E-04 17 1.9200979E-03 -6.5986089E-04 18 4.5371587E-03 -1.5800728E-03 19 8.2917681E-03 -2.9866100E-03 20 1.1035871E-02 -4.1136673E-03 21 1.0319019E-02 -4.1097311E-03 22 5.4343885E-03 -1.8207558E-03 23 1.0224585E-03 2.3528316E-03 24 3.7309608E-05 4.4292004E-03 25 1.1951709E-06 2.7107199E-03 26 -2.6550786E-06 4.1515093E-04 2P+ 3P+ -1.7597131E+01 -1.6558022E+00 ------------ ------------ 1 3.4485016E-05 1.1698244E-05 2 3.2459852E-04 1.1058633E-04 3 2.3831854E-03 8.1156557E-04 4 1.2588060E-02 4.3252854E-03 5 4.8456630E-02 1.6869504E-02 6 1.3658686E-01 4.9169116E-02 7 2.6981543E-01 1.0050172E-01 8 3.6605462E-01 1.4574429E-01 9 2.7838329E-01 9.5111684E-02 10 7.6914106E-02 -1.6346593E-01 11 4.8510601E-03 -4.6148691E-01 12 5.0303728E-04 -4.3314206E-01 13 6.3821070E-05 -1.0792311E-01 14 3.0091885E-05 1.0200027E-05 15 1.4692909E-04 5.0029534E-05 16 5.9194791E-04 2.0145771E-04 17 1.8370214E-03 6.3087005E-04 18 4.4126520E-03 1.5354276E-03 19 8.1556218E-03 2.9346104E-03 20 1.0958078E-02 4.0801915E-03 21 1.0350378E-02 4.1196574E-03 22 5.5320826E-03 1.8898278E-03 23 1.0690243E-03 -2.2706111E-03 24 4.6273296E-05 -4.3999127E-03 25 3.1826994E-06 -2.7415828E-03 26 2.5630133E-07 -4.3244683E-04 3D- -2.3719092E-01 ------------ 1 5.7663028E-04 2 4.9056592E-03 3 2.3508450E-02 4 7.0805504E-02 5 1.5662719E-01 6 2.4025679E-01 7 2.9023443E-01 8 2.9839476E-01 9 2.4107577E-01 10 9.1767148E-02 11 6.6971046E-05 12 3.2539451E-04 13 9.4788471E-04 14 1.8422109E-03 15 2.7387925E-03 16 2.8848545E-03 17 2.3954434E-03 18 1.6606127E-03 19 8.6937832E-04 20 2.0192102E-04 3D+ -2.3603574E-01 ------------ 1 5.4983954E-04 2 4.8175797E-03 3 2.3272515E-02 4 7.0343757E-02 5 1.5579521E-01 6 2.3939729E-01 7 2.8986205E-01 8 2.9884296E-01 9 2.4235783E-01 10 9.3033082E-02 11 6.5547407E-05 12 3.2135378E-04 13 9.4038710E-04 14 1.8315838E-03 15 2.7254404E-03 16 2.8750680E-03 17 2.3926737E-03 18 1.6632189E-03 19 8.7405561E-04 20 2.0472592E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -1.8433933E+02 -2.1501162E+01 -2.7582043E+00 -1.9591970E-01 ------------ ------------ ------------ ------------ 1 6.1852388E-06 1.8496613E-06 -6.5629978E-07 1.3543648E-07 2 1.9722266E-05 5.9034974E-06 -2.0953802E-06 4.3239545E-07 3 8.3986558E-05 2.5188164E-05 -8.9391065E-06 1.8448219E-06 4 3.2966513E-04 9.8924366E-05 -3.5125434E-05 7.2484348E-06 5 1.2599891E-03 3.7913778E-04 -1.3458544E-04 2.7777238E-05 6 4.4582897E-03 1.3439614E-03 -4.7751321E-04 9.8541991E-05 7 1.4429393E-02 4.3910220E-03 -1.5603932E-03 3.2211079E-04 8 4.1929617E-02 1.2976234E-02 -4.6249240E-03 9.5471229E-04 9 1.0669164E-01 3.4590329E-02 -1.2375508E-02 2.5569885E-03 10 2.2411831E-01 7.9644663E-02 -2.8844924E-02 5.9649780E-03 11 3.4664853E-01 1.5128054E-01 -5.5989275E-02 1.1618480E-02 12 3.0521714E-01 1.8784098E-01 -7.2994959E-02 1.5212122E-02 13 9.8505621E-02 3.6375269E-02 -1.4454164E-02 3.0740514E-03 14 5.4852416E-03 -3.9142474E-01 1.9313635E-01 -4.1637972E-02 15 1.0091956E-03 -5.8559364E-01 4.5231099E-01 -1.0278514E-01 16 -2.9404421E-04 -1.7505974E-01 1.2331350E-01 -2.6436539E-02 17 7.8772097E-05 -3.9727321E-03 -6.4191738E-01 1.7809623E-01 18 -7.5215554E-05 -2.6085006E-03 -5.7104129E-01 2.4411469E-01 19 2.6799596E-05 5.4308840E-04 -5.8051626E-02 1.3285550E-01 20 -1.0644450E-05 -2.3300785E-04 -1.0558826E-03 -5.2994672E-01 21 2.8564921E-06 6.3104912E-05 4.6669831E-06 -6.6852498E-01 22 2.6937074E-05 8.0471081E-06 -2.8545699E-06 5.8908877E-07 23 7.9079334E-05 2.3602338E-05 -8.3757949E-06 1.7282879E-06 24 2.2804083E-04 6.8144172E-05 -2.4171821E-05 4.9883654E-06 25 5.8229657E-04 1.7385358E-04 -6.1701053E-05 1.2731514E-05 26 1.3616658E-03 4.0749958E-04 -1.4455955E-04 2.9833956E-05 27 2.9280004E-03 8.7743289E-04 -3.1156246E-04 6.4290166E-05 28 5.8221672E-03 1.7614243E-03 -6.2552565E-04 1.2911745E-04 29 1.0626765E-02 3.2699513E-03 -1.1647549E-03 2.4041916E-04 30 1.7398435E-02 5.6107707E-03 -2.0062160E-03 4.1449032E-04 31 2.4053838E-02 8.5058710E-03 -3.0790144E-03 6.3668465E-04 32 2.4956299E-02 1.0842069E-02 -4.0108561E-03 8.3225884E-04 33 1.4950310E-02 9.1648923E-03 -3.5604473E-03 7.4197242E-04 34 3.3111752E-03 1.2258000E-03 -4.8779094E-04 1.0374200E-04 35 1.2694943E-04 -9.0134724E-03 4.4448393E-03 -9.5819093E-04 36 1.5944257E-05 -9.2635231E-03 7.1518178E-03 -1.6251506E-03 37 -3.1414493E-06 -1.8847296E-03 1.3276070E-03 -2.8466525E-04 38 5.5136973E-07 -2.8642112E-05 -4.6295854E-03 1.2843867E-03 39 -3.4724867E-07 -1.2355020E-05 -2.7020921E-03 1.1550587E-03 40 7.6689311E-08 1.6439650E-06 -1.7531221E-04 4.0118326E-04 41 -1.8054637E-08 -4.3546957E-07 -1.9647414E-06 -9.8719193E-04 42 2.6274202E-09 7.0033285E-08 4.5384850E-09 -7.3798511E-04 2P- 3P- -1.7814220E+01 -1.6814509E+00 ------------ ------------ 1 1.2956047E-04 -4.3988235E-05 2 5.0440456E-04 -1.7172755E-04 3 2.8901392E-03 -9.8441845E-04 4 1.3636569E-02 -4.6861387E-03 5 5.0544853E-02 -1.7602129E-02 6 1.3967465E-01 -5.0306083E-02 7 2.7263114E-01 -1.0160608E-01 8 3.6566905E-01 -1.4559863E-01 9 2.7421563E-01 -9.1805716E-02 10 7.4072076E-02 1.6931581E-01 11 4.5603538E-03 4.6448377E-01 12 4.7595072E-04 4.2823982E-01 13 6.5367760E-05 1.0353309E-01 14 3.8444714E-05 -1.3045625E-05 15 1.6696210E-04 -5.6877719E-05 16 6.3718713E-04 -2.1702291E-04 17 1.9200979E-03 -6.5986088E-04 18 4.5371587E-03 -1.5800728E-03 19 8.2917681E-03 -2.9866100E-03 20 1.1035871E-02 -4.1136673E-03 21 1.0319019E-02 -4.1097311E-03 22 5.4343885E-03 -1.8207558E-03 23 1.0224585E-03 2.3528316E-03 24 3.7309608E-05 4.4292004E-03 25 1.1951708E-06 2.7107199E-03 26 -2.6550784E-06 4.1515093E-04 2P+ 3P+ -1.7597131E+01 -1.6558022E+00 ------------ ------------ 1 3.4485016E-05 1.1698244E-05 2 3.2459852E-04 1.1058633E-04 3 2.3831854E-03 8.1156557E-04 4 1.2588060E-02 4.3252854E-03 5 4.8456630E-02 1.6869504E-02 6 1.3658686E-01 4.9169116E-02 7 2.6981543E-01 1.0050172E-01 8 3.6605462E-01 1.4574429E-01 9 2.7838329E-01 9.5111684E-02 10 7.6914106E-02 -1.6346593E-01 11 4.8510600E-03 -4.6148691E-01 12 5.0303727E-04 -4.3314206E-01 13 6.3821062E-05 -1.0792311E-01 14 3.0091885E-05 1.0200027E-05 15 1.4692909E-04 5.0029534E-05 16 5.9194791E-04 2.0145771E-04 17 1.8370214E-03 6.3087005E-04 18 4.4126520E-03 1.5354276E-03 19 8.1556218E-03 2.9346104E-03 20 1.0958078E-02 4.0801915E-03 21 1.0350378E-02 4.1196574E-03 22 5.5320826E-03 1.8898278E-03 23 1.0690243E-03 -2.2706111E-03 24 4.6273296E-05 -4.3999127E-03 25 3.1826994E-06 -2.7415828E-03 26 2.5630133E-07 -4.3244684E-04 3D- -2.3719092E-01 ------------ 1 5.7663028E-04 2 4.9056592E-03 3 2.3508450E-02 4 7.0805504E-02 5 1.5662719E-01 6 2.4025679E-01 7 2.9023443E-01 8 2.9839476E-01 9 2.4107578E-01 10 9.1767148E-02 11 6.6971046E-05 12 3.2539451E-04 13 9.4788471E-04 14 1.8422109E-03 15 2.7387925E-03 16 2.8848545E-03 17 2.3954434E-03 18 1.6606127E-03 19 8.6937833E-04 20 2.0192102E-04 3D+ -2.3603574E-01 ------------ 1 5.4983954E-04 2 4.8175796E-03 3 2.3272515E-02 4 7.0343757E-02 5 1.5579521E-01 6 2.3939729E-01 7 2.8986205E-01 8 2.9884296E-01 9 2.4235783E-01 10 9.3033083E-02 11 6.5547407E-05 12 3.2135377E-04 13 9.4038710E-04 14 1.8315838E-03 15 2.7254404E-03 16 2.8750679E-03 17 2.3926736E-03 18 1.6632189E-03 19 8.7405561E-04 20 2.0472592E-04 ******************** VANADIUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1402990488E+08 0.1000000000E+01 0.1000000000E+01 2 0.2752073598E+07 0.1000000000E+01 0.1000000000E+01 3 0.6196134971E+06 0.1000000000E+01 0.1000000000E+01 4 0.1582486835E+06 0.1000000000E+01 0.1000000000E+01 5 0.4531277461E+05 0.1000000000E+01 0.1000000000E+01 6 0.1437690565E+05 0.1000000000E+01 0.1000000000E+01 7 0.4995480969E+04 0.1000000000E+01 0.1000000000E+01 8 0.1878707708E+04 0.1000000000E+01 0.1000000000E+01 9 0.7558124667E+03 0.1000000000E+01 0.1000000000E+01 10 0.3214731553E+03 0.1000000000E+01 0.1000000000E+01 11 0.1428742968E+03 0.1000000000E+01 0.1000000000E+01 12 0.6557603176E+02 0.1000000000E+01 0.1000000000E+01 13 0.3071996354E+02 0.1000000000E+01 0.1000000000E+01 14 0.1451722804E+02 0.1000000000E+01 0.1000000000E+01 15 0.6839699859E+01 0.1000000000E+01 0.1000000000E+01 16 0.3175291751E+01 0.1000000000E+01 0.1000000000E+01 17 0.1435576612E+01 0.1000000000E+01 0.1000000000E+01 18 0.6246951934E+00 0.1000000000E+01 0.1000000000E+01 19 0.2585901086E+00 0.1000000000E+01 0.1000000000E+01 20 0.1006376552E+00 0.1000000000E+01 0.1000000000E+01 21 0.3639291726E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.1756100190E+05 0.1000000000E+01 0.1000000000E+01 2 0.4007694684E+04 0.1000000000E+01 0.1000000000E+01 3 0.1117964263E+04 0.1000000000E+01 0.1000000000E+01 4 0.3700293487E+03 0.1000000000E+01 0.1000000000E+01 5 0.1410608132E+03 0.1000000000E+01 0.1000000000E+01 6 0.6012091214E+02 0.1000000000E+01 0.1000000000E+01 7 0.2780870137E+02 0.1000000000E+01 0.1000000000E+01 8 0.1355060948E+02 0.1000000000E+01 0.1000000000E+01 9 0.6752225347E+01 0.1000000000E+01 0.1000000000E+01 10 0.3339888805E+01 0.1000000000E+01 0.1000000000E+01 11 0.1591846085E+01 0.1000000000E+01 0.1000000000E+01 12 0.7096449700E+00 0.1000000000E+01 0.1000000000E+01 13 0.2872362032E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.1756100190E+05 0.1000000000E+01 0.1000000000E+01 2 0.4007694684E+04 0.1000000000E+01 0.1000000000E+01 3 0.1117964263E+04 0.1000000000E+01 0.1000000000E+01 4 0.3700293487E+03 0.1000000000E+01 0.1000000000E+01 5 0.1410608132E+03 0.1000000000E+01 0.1000000000E+01 6 0.6012091214E+02 0.1000000000E+01 0.1000000000E+01 7 0.2780870137E+02 0.1000000000E+01 0.1000000000E+01 8 0.1355060948E+02 0.1000000000E+01 0.1000000000E+01 9 0.6752225347E+01 0.1000000000E+01 0.1000000000E+01 10 0.3339888805E+01 0.1000000000E+01 0.1000000000E+01 11 0.1591846085E+01 0.1000000000E+01 0.1000000000E+01 12 0.7096449700E+00 0.1000000000E+01 0.1000000000E+01 13 0.2872362032E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.2406270350E+03 0.1000000000E+01 0.1000000000E+01 2 0.7257124067E+02 0.1000000000E+01 0.1000000000E+01 3 0.2640954068E+02 0.1000000000E+01 0.1000000000E+01 4 0.1109004373E+02 0.1000000000E+01 0.1000000000E+01 5 0.5139036698E+01 0.1000000000E+01 0.1000000000E+01 6 0.2513079153E+01 0.1000000000E+01 0.1000000000E+01 7 0.1240242310E+01 0.1000000000E+01 0.1000000000E+01 8 0.5907215086E+00 0.1000000000E+01 0.1000000000E+01 9 0.2596778040E+00 0.1000000000E+01 0.1000000000E+01 10 0.1007540746E+00 0.1000000000E+01 0.1000000000E+01 D+ 1 0.2406270350E+03 0.1000000000E+01 0.1000000000E+01 2 0.7257124067E+02 0.1000000000E+01 0.1000000000E+01 3 0.2640954068E+02 0.1000000000E+01 0.1000000000E+01 4 0.1109004373E+02 0.1000000000E+01 0.1000000000E+01 5 0.5139036698E+01 0.1000000000E+01 0.1000000000E+01 6 0.2513079153E+01 0.1000000000E+01 0.1000000000E+01 7 0.1240242310E+01 0.1000000000E+01 0.1000000000E+01 8 0.5907215086E+00 0.1000000000E+01 0.1000000000E+01 9 0.2596778040E+00 0.1000000000E+01 0.1000000000E+01 10 0.1007540746E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 4 2 2 0 0 OPEN SHELLS 0 0 0 1 1 NUMBER OF OPEN SHELL CONFG 4 CONF OPEN SHELL OCCUPATION NUMBERS 1 0.0 0.0 0.0 3.0 0.0 2 0.0 0.0 0.0 2.0 1.0 3 0.0 0.0 0.0 1.0 2.0 4 0.0 0.0 0.0 0.0 3.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -2.0297022E+02 -2.4184351E+01 -3.2408331E+00 -2.3452627E-01 ------------ ------------ ------------ ------------ 1 -7.2246197E-06 2.1792135E-06 -7.8978228E-07 -1.8163184E-07 2 -2.1724436E-05 6.5595961E-06 -2.3778063E-06 -5.4698095E-07 3 -8.9988686E-05 2.7227413E-05 -9.8705684E-06 -2.2698260E-06 4 -3.4115157E-04 1.0328491E-04 -3.7452947E-05 -8.6168342E-06 5 -1.2738632E-03 3.8680741E-04 -1.4027531E-04 -3.2254841E-05 6 -4.4366538E-03 1.3495639E-03 -4.8966492E-04 -1.1268195E-04 7 -1.4247491E-02 4.3752996E-03 -1.5886104E-03 -3.6528039E-04 8 -4.1325151E-02 1.2901555E-02 -4.6953047E-03 -1.0811267E-03 9 -1.0549242E-01 3.4491966E-02 -1.2611855E-02 -2.9017496E-03 10 -2.2303779E-01 7.9879182E-02 -2.9538972E-02 -6.8182260E-03 11 -3.4756966E-01 1.5281455E-01 -5.7866564E-02 -1.3364421E-02 12 -3.0729829E-01 1.9042735E-01 -7.5567952E-02 -1.7634710E-02 13 -9.8564523E-02 3.4631652E-02 -1.4463284E-02 -3.2797999E-03 14 -5.2418897E-03 -4.0451900E-01 2.0805155E-01 4.9882485E-02 15 -9.8519040E-04 -5.8230898E-01 4.6696596E-01 1.2004179E-01 16 3.1225970E-04 -1.6474632E-01 9.9647286E-02 2.1457190E-02 17 -8.6019510E-05 -4.4672464E-03 -6.7062018E-01 -2.0858548E-01 18 7.8170918E-05 -2.0433688E-03 -5.5043299E-01 -3.0253192E-01 19 -2.9289574E-05 3.2851962E-04 -4.3340996E-02 -5.9659946E-02 20 1.1708049E-05 -1.4031857E-04 -2.0221917E-03 6.1906072E-01 21 -3.0335907E-06 3.4456684E-05 7.1638709E-04 5.6530962E-01 22 -3.0126075E-05 9.0773528E-06 -3.2891817E-06 -7.5631107E-07 23 -8.5530074E-05 2.5745304E-05 -9.3297758E-06 -2.1463954E-06 24 -2.4272578E-04 7.3159802E-05 -2.6509495E-05 -6.0950562E-06 25 -6.1132860E-04 1.8407980E-04 -6.6712252E-05 -1.5348599E-05 26 -1.4173571E-03 4.2784628E-04 -1.5505189E-04 -3.5647554E-05 27 -3.0331274E-03 9.1668957E-04 -3.3236963E-04 -7.6480941E-05 28 -6.0235597E-03 1.8380177E-03 -6.6687585E-04 -1.5332152E-04 29 -1.1011993E-02 3.4163697E-03 -1.2424761E-03 -2.8606858E-04 30 -1.8106932E-02 5.8857491E-03 -2.1507090E-03 -4.9479103E-04 31 -2.5184085E-02 8.9706067E-03 -3.3153908E-03 -7.6521336E-04 32 -2.6288261E-02 1.1500837E-02 -4.3528405E-03 -1.0052296E-03 33 -1.5785250E-02 9.7398176E-03 -3.8638347E-03 -9.0163928E-04 34 -3.4685729E-03 1.2228750E-03 -5.1149265E-04 -1.1604713E-04 35 -1.2687998E-04 -9.7364169E-03 5.0043941E-03 1.1997502E-03 36 -1.6259359E-05 -9.6279203E-03 7.7168737E-03 1.9836742E-03 37 3.4866582E-06 -1.8563636E-03 1.1230179E-03 2.4191309E-04 38 -6.2945440E-07 -3.3824504E-05 -5.0779529E-03 -1.5793165E-03 39 3.7889083E-07 -1.0215844E-05 -2.7495333E-03 -1.5111184E-03 40 -8.8391573E-08 1.0583527E-06 -1.3930147E-04 -1.9173959E-04 41 2.1045439E-08 -2.8218948E-07 -4.0516195E-06 1.2411075E-03 42 -2.9391292E-09 4.1763947E-08 8.6294899E-07 6.8154123E-04 2P- 3P- -2.0262878E+01 -2.0599504E+00 ------------ ------------ 1 -1.2803903E-04 4.4774781E-05 2 -4.9349395E-04 1.7306285E-04 3 -2.8166606E-03 9.8811435E-04 4 -1.3435597E-02 4.7568631E-03 5 -5.0191590E-02 1.8007939E-02 6 -1.3886268E-01 5.1579563E-02 7 -2.7068562E-01 1.0409917E-01 8 -3.6262410E-01 1.4918754E-01 9 -2.7489035E-01 9.4601671E-02 10 -7.7923302E-02 -1.6485112E-01 11 -5.2879224E-03 -4.6658450E-01 12 -5.1929156E-04 -4.3172455E-01 13 -3.1140664E-05 -9.9304115E-02 14 -3.7544626E-05 1.3120638E-05 15 -1.6813432E-04 5.9008461E-05 16 -6.5414941E-04 2.2946744E-04 17 -1.9996509E-03 7.0801962E-04 18 -4.7596463E-03 1.7076993E-03 19 -8.7079197E-03 3.2347359E-03 20 -1.1594477E-02 4.4598440E-03 21 -1.0866095E-02 4.4716465E-03 22 -5.8122236E-03 2.0019164E-03 23 -1.1540863E-03 -2.4585399E-03 24 -4.6941138E-05 -4.8036503E-03 25 -1.4522614E-06 -2.9674858E-03 26 3.4868515E-06 -4.3459704E-04 2P+ 3P+ -1.9996556E+01 -2.0271502E+00 ------------ ------------ 1 3.0001906E-05 -1.0482772E-05 2 2.9820725E-04 -1.0469065E-04 3 2.2689865E-03 -7.9593627E-04 4 1.2283275E-02 -4.3492564E-03 5 4.7902514E-02 -1.7183834E-02 6 1.3547231E-01 -5.0302886E-02 7 2.6760399E-01 -1.0287230E-01 8 3.6299449E-01 -1.4936729E-01 9 2.7936598E-01 -9.8281684E-02 10 8.1102204E-02 1.5841881E-01 11 5.6569244E-03 4.6328766E-01 12 5.4735298E-04 4.3722757E-01 13 2.9122949E-05 1.0393615E-01 14 2.8452761E-05 -9.9324946E-06 15 1.4555327E-04 -5.1068099E-05 16 6.0251251E-04 -2.1120794E-04 17 1.9038212E-03 -6.7369967E-04 18 4.6156702E-03 -1.6548070E-03 19 8.5505638E-03 -3.1733768E-03 20 1.1504502E-02 -4.4207000E-03 21 1.0901234E-02 -4.4840702E-03 22 5.9246676E-03 -2.0840069E-03 23 1.2098094E-03 2.3614812E-03 24 5.8261408E-05 4.7688471E-03 25 3.7602260E-06 3.0051173E-03 26 1.2805631E-07 4.5449195E-04 3D- -4.5248272E-01 ------------ 1 -3.6394517E-04 2 -3.3713322E-03 3 -1.8040867E-02 4 -5.6800688E-02 5 -1.3289834E-01 6 -2.2644648E-01 7 -2.9511292E-01 8 -3.1450759E-01 9 -2.3660914E-01 10 -7.8705889E-02 11 -5.1765708E-05 12 -2.7370896E-04 13 -8.9060059E-04 14 -1.8227207E-03 15 -2.9056940E-03 16 -3.4640312E-03 17 -3.1719567E-03 18 -2.3332179E-03 19 -1.1638316E-03 20 -2.4112061E-04 3D+ -4.5031830E-01 ------------ 1 3.4048040E-04 2 3.2921448E-03 3 1.7819132E-02 4 5.6400345E-02 5 1.3219037E-01 6 2.2560681E-01 7 2.9464930E-01 8 3.1494874E-01 9 2.3788314E-01 10 7.9721045E-02 11 5.0417581E-05 12 2.6966174E-04 13 8.8255498E-04 14 1.8119302E-03 15 2.8920781E-03 16 3.4522206E-03 17 3.1675702E-03 18 2.3367518E-03 19 1.1702175E-03 20 2.4428263E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -2.0297022E+02 -2.4184351E+01 -3.2408331E+00 -2.3452627E-01 ------------ ------------ ------------ ------------ 1 -7.2248528E-06 2.1792843E-06 -7.8980798E-07 -1.8163776E-07 2 -2.1725058E-05 6.5597829E-06 -2.3778740E-06 -5.4699651E-07 3 -8.9987832E-05 2.7227156E-05 -9.8704754E-06 -2.2698046E-06 4 -3.4115266E-04 1.0328523E-04 -3.7453065E-05 -8.6168613E-06 5 -1.2738621E-03 3.8680707E-04 -1.4027519E-04 -3.2254814E-05 6 -4.4366552E-03 1.3495643E-03 -4.8966507E-04 -1.1268199E-04 7 -1.4247489E-02 4.3752991E-03 -1.5886103E-03 -3.6528036E-04 8 -4.1325153E-02 1.2901556E-02 -4.6953049E-03 -1.0811268E-03 9 -1.0549242E-01 3.4491966E-02 -1.2611855E-02 -2.9017495E-03 10 -2.2303779E-01 7.9879183E-02 -2.9538972E-02 -6.8182261E-03 11 -3.4756965E-01 1.5281455E-01 -5.7866563E-02 -1.3364421E-02 12 -3.0729829E-01 1.9042735E-01 -7.5567952E-02 -1.7634710E-02 13 -9.8564521E-02 3.4631648E-02 -1.4463284E-02 -3.2797998E-03 14 -5.2418910E-03 -4.0451899E-01 2.0805155E-01 4.9882485E-02 15 -9.8518929E-04 -5.8230898E-01 4.6696596E-01 1.2004179E-01 16 3.1225889E-04 -1.6474632E-01 9.9647285E-02 2.1457190E-02 17 -8.6019140E-05 -4.4672481E-03 -6.7062018E-01 -2.0858548E-01 18 7.8170936E-05 -2.0433643E-03 -5.5043299E-01 -3.0253192E-01 19 -2.9289742E-05 3.2851482E-04 -4.3340999E-02 -5.9659947E-02 20 1.1708207E-05 -1.4031510E-04 -2.0221896E-03 6.1906072E-01 21 -3.0336607E-06 3.4455274E-05 7.1638619E-04 5.6530962E-01 22 -3.0157781E-05 9.0869019E-06 -3.2926419E-06 -7.5710690E-07 23 -8.5515940E-05 2.5741047E-05 -9.3282334E-06 -2.1460407E-06 24 -2.4273243E-04 7.3161805E-05 -2.6510221E-05 -6.0952232E-06 25 -6.1132539E-04 1.8407884E-04 -6.6711902E-05 -1.5348518E-05 26 -1.4173590E-03 4.2784686E-04 -1.5505210E-04 -3.5647602E-05 27 -3.0331263E-03 9.1668924E-04 -3.3236951E-04 -7.6480914E-05 28 -6.0235605E-03 1.8380179E-03 -6.6687594E-04 -1.5332154E-04 29 -1.1011992E-02 3.4163696E-03 -1.2424761E-03 -2.8606856E-04 30 -1.8106932E-02 5.8857492E-03 -2.1507090E-03 -4.9479104E-04 31 -2.5184084E-02 8.9706066E-03 -3.3153908E-03 -7.6521335E-04 32 -2.6288261E-02 1.1500837E-02 -4.3528406E-03 -1.0052296E-03 33 -1.5785249E-02 9.7398176E-03 -3.8638347E-03 -9.0163927E-04 34 -3.4685731E-03 1.2228749E-03 -5.1149266E-04 -1.1604713E-04 35 -1.2687986E-04 -9.7364169E-03 5.0043942E-03 1.1997502E-03 36 -1.6259437E-05 -9.6279203E-03 7.7168737E-03 1.9836742E-03 37 3.4867045E-06 -1.8563637E-03 1.1230179E-03 2.4191309E-04 38 -6.2948124E-07 -3.3824507E-05 -5.0779529E-03 -1.5793165E-03 39 3.7890566E-07 -1.0215826E-05 -2.7495333E-03 -1.5111184E-03 40 -8.8398572E-08 1.0583405E-06 -1.3930148E-04 -1.9173959E-04 41 2.1048233E-08 -2.8218419E-07 -4.0516151E-06 1.2411075E-03 42 -2.9399942E-09 4.1762532E-08 8.6294781E-07 6.8154122E-04 2P- 3P- -2.0262878E+01 -2.0599504E+00 ------------ ------------ 1 -1.2803903E-04 4.4774781E-05 2 -4.9349395E-04 1.7306285E-04 3 -2.8166606E-03 9.8811435E-04 4 -1.3435597E-02 4.7568631E-03 5 -5.0191590E-02 1.8007939E-02 6 -1.3886268E-01 5.1579563E-02 7 -2.7068562E-01 1.0409917E-01 8 -3.6262410E-01 1.4918754E-01 9 -2.7489035E-01 9.4601671E-02 10 -7.7923302E-02 -1.6485112E-01 11 -5.2879224E-03 -4.6658450E-01 12 -5.1929156E-04 -4.3172455E-01 13 -3.1140674E-05 -9.9304115E-02 14 -3.7544626E-05 1.3120638E-05 15 -1.6813432E-04 5.9008461E-05 16 -6.5414941E-04 2.2946744E-04 17 -1.9996509E-03 7.0801962E-04 18 -4.7596463E-03 1.7076993E-03 19 -8.7079197E-03 3.2347359E-03 20 -1.1594477E-02 4.4598440E-03 21 -1.0866095E-02 4.4716465E-03 22 -5.8122236E-03 2.0019164E-03 23 -1.1540863E-03 -2.4585399E-03 24 -4.6941138E-05 -4.8036503E-03 25 -1.4522614E-06 -2.9674858E-03 26 3.4868514E-06 -4.3459704E-04 2P+ 3P+ -1.9996556E+01 -2.0271502E+00 ------------ ------------ 1 3.0001906E-05 -1.0482772E-05 2 2.9820725E-04 -1.0469065E-04 3 2.2689865E-03 -7.9593627E-04 4 1.2283275E-02 -4.3492564E-03 5 4.7902514E-02 -1.7183834E-02 6 1.3547231E-01 -5.0302886E-02 7 2.6760399E-01 -1.0287230E-01 8 3.6299449E-01 -1.4936729E-01 9 2.7936598E-01 -9.8281684E-02 10 8.1102204E-02 1.5841881E-01 11 5.6569244E-03 4.6328766E-01 12 5.4735298E-04 4.3722757E-01 13 2.9122950E-05 1.0393615E-01 14 2.8452761E-05 -9.9324945E-06 15 1.4555327E-04 -5.1068099E-05 16 6.0251251E-04 -2.1120794E-04 17 1.9038212E-03 -6.7369967E-04 18 4.6156702E-03 -1.6548070E-03 19 8.5505638E-03 -3.1733768E-03 20 1.1504502E-02 -4.4207000E-03 21 1.0901234E-02 -4.4840702E-03 22 5.9246676E-03 -2.0840069E-03 23 1.2098094E-03 2.3614812E-03 24 5.8261408E-05 4.7688471E-03 25 3.7602260E-06 3.0051173E-03 26 1.2805631E-07 4.5449195E-04 3D- -4.5248272E-01 ------------ 1 -3.6394517E-04 2 -3.3713322E-03 3 -1.8040867E-02 4 -5.6800688E-02 5 -1.3289834E-01 6 -2.2644648E-01 7 -2.9511292E-01 8 -3.1450759E-01 9 -2.3660914E-01 10 -7.8705889E-02 11 -5.1765708E-05 12 -2.7370896E-04 13 -8.9060059E-04 14 -1.8227207E-03 15 -2.9056940E-03 16 -3.4640312E-03 17 -3.1719567E-03 18 -2.3332179E-03 19 -1.1638316E-03 20 -2.4112061E-04 3D+ -4.5031830E-01 ------------ 1 3.4048040E-04 2 3.2921448E-03 3 1.7819132E-02 4 5.6400345E-02 5 1.3219037E-01 6 2.2560681E-01 7 2.9464930E-01 8 3.1494874E-01 9 2.3788314E-01 10 7.9721046E-02 11 5.0417581E-05 12 2.6966174E-04 13 8.8255498E-04 14 1.8119302E-03 15 2.8920781E-03 16 3.4522206E-03 17 3.1675702E-03 18 2.3367518E-03 19 1.1702175E-03 20 2.4428263E-04 ____________________ SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1491401970E+08 0.1000000000E+01 0.1000000000E+01 2 0.2777091106E+07 0.1000000000E+01 0.1000000000E+01 3 0.6017095180E+06 0.1000000000E+01 0.1000000000E+01 4 0.1497045927E+06 0.1000000000E+01 0.1000000000E+01 5 0.4220705068E+05 0.1000000000E+01 0.1000000000E+01 6 0.1330719978E+05 0.1000000000E+01 0.1000000000E+01 7 0.4630099109E+04 0.1000000000E+01 0.1000000000E+01 8 0.1754470165E+04 0.1000000000E+01 0.1000000000E+01 9 0.7145027866E+03 0.1000000000E+01 0.1000000000E+01 10 0.3086130285E+03 0.1000000000E+01 0.1000000000E+01 11 0.1395169989E+03 0.1000000000E+01 0.1000000000E+01 12 0.6514673960E+02 0.1000000000E+01 0.1000000000E+01 13 0.3100709539E+02 0.1000000000E+01 0.1000000000E+01 14 0.1484507772E+02 0.1000000000E+01 0.1000000000E+01 15 0.7055162263E+01 0.1000000000E+01 0.1000000000E+01 16 0.3284617696E+01 0.1000000000E+01 0.1000000000E+01 17 0.1478311962E+01 0.1000000000E+01 0.1000000000E+01 18 0.6347474205E+00 0.1000000000E+01 0.1000000000E+01 19 0.2565898894E+00 0.1000000000E+01 0.1000000000E+01 20 0.9636781804E-01 0.1000000000E+01 0.1000000000E+01 21 0.3318398616E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.1653084457E+05 0.1000000000E+01 0.1000000000E+01 2 0.3846914035E+04 0.1000000000E+01 0.1000000000E+01 3 0.1089220150E+04 0.1000000000E+01 0.1000000000E+01 4 0.3643091662E+03 0.1000000000E+01 0.1000000000E+01 5 0.1397466084E+03 0.1000000000E+01 0.1000000000E+01 6 0.5968905466E+02 0.1000000000E+01 0.1000000000E+01 7 0.2756105712E+02 0.1000000000E+01 0.1000000000E+01 8 0.1335704189E+02 0.1000000000E+01 0.1000000000E+01 9 0.6596346351E+01 0.1000000000E+01 0.1000000000E+01 10 0.3222855693E+01 0.1000000000E+01 0.1000000000E+01 11 0.1512474339E+01 0.1000000000E+01 0.1000000000E+01 12 0.6619274877E+00 0.1000000000E+01 0.1000000000E+01 13 0.2622850661E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.1653084457E+05 0.1000000000E+01 0.1000000000E+01 2 0.3846914035E+04 0.1000000000E+01 0.1000000000E+01 3 0.1089220150E+04 0.1000000000E+01 0.1000000000E+01 4 0.3643091662E+03 0.1000000000E+01 0.1000000000E+01 5 0.1397466084E+03 0.1000000000E+01 0.1000000000E+01 6 0.5968905466E+02 0.1000000000E+01 0.1000000000E+01 7 0.2756105712E+02 0.1000000000E+01 0.1000000000E+01 8 0.1335704189E+02 0.1000000000E+01 0.1000000000E+01 9 0.6596346351E+01 0.1000000000E+01 0.1000000000E+01 10 0.3222855693E+01 0.1000000000E+01 0.1000000000E+01 11 0.1512474339E+01 0.1000000000E+01 0.1000000000E+01 12 0.6619274877E+00 0.1000000000E+01 0.1000000000E+01 13 0.2622850661E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.1898619291E+03 0.1000000000E+01 0.1000000000E+01 2 0.5849779789E+02 0.1000000000E+01 0.1000000000E+01 3 0.2134578752E+02 0.1000000000E+01 0.1000000000E+01 4 0.8848950904E+01 0.1000000000E+01 0.1000000000E+01 5 0.3997737106E+01 0.1000000000E+01 0.1000000000E+01 6 0.1888058394E+01 0.1000000000E+01 0.1000000000E+01 7 0.8941929908E+00 0.1000000000E+01 0.1000000000E+01 8 0.4073780752E+00 0.1000000000E+01 0.1000000000E+01 9 0.1712578537E+00 0.1000000000E+01 0.1000000000E+01 10 0.6372732656E-01 0.1000000000E+01 0.1000000000E+01 D+ 1 0.1898619291E+03 0.1000000000E+01 0.1000000000E+01 2 0.5849779789E+02 0.1000000000E+01 0.1000000000E+01 3 0.2134578752E+02 0.1000000000E+01 0.1000000000E+01 4 0.8848950904E+01 0.1000000000E+01 0.1000000000E+01 5 0.3997737106E+01 0.1000000000E+01 0.1000000000E+01 6 0.1888058394E+01 0.1000000000E+01 0.1000000000E+01 7 0.8941929908E+00 0.1000000000E+01 0.1000000000E+01 8 0.4073780752E+00 0.1000000000E+01 0.1000000000E+01 9 0.1712578537E+00 0.1000000000E+01 0.1000000000E+01 10 0.6372732656E-01 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 3 2 2 0 0 OPEN SHELLS 1 0 0 1 1 NUMBER OF OPEN SHELL CONFG 5 CONF OPEN SHELL OCCUPATION NUMBERS 1 1.0 0.0 0.0 4.0 0.0 2 1.0 0.0 0.0 3.0 1.0 3 1.0 0.0 0.0 2.0 2.0 4 1.0 0.0 0.0 1.0 3.0 5 1.0 0.0 0.0 0.0 4.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -2.0281112E+02 -2.4001967E+01 -3.0696515E+00 -2.0352395E-01 ------------ ------------ ------------ ------------ 1 6.9323344E-06 2.0909623E-06 -7.5151254E-07 -1.5128745E-07 2 2.2371126E-05 6.7552121E-06 -2.4286329E-06 -4.8888492E-07 3 9.4542954E-05 2.8604730E-05 -1.0283419E-05 -2.0703178E-06 4 3.6845482E-04 1.1156992E-04 -4.0127816E-05 -8.0777813E-06 5 1.3938338E-03 4.2325374E-04 -1.5220513E-04 -3.0645565E-05 6 4.8691893E-03 1.4818397E-03 -5.3333492E-04 -1.0736340E-04 7 1.5507930E-02 4.7661777E-03 -1.7160139E-03 -3.4558498E-04 8 4.4210612E-02 1.3833267E-02 -4.9954517E-03 -1.0059209E-03 9 1.1004453E-01 3.6126125E-02 -1.3101146E-02 -2.6410751E-03 10 2.2596738E-01 8.1489193E-02 -2.9924638E-02 -6.0368430E-03 11 3.4248417E-01 1.5184100E-01 -5.7030399E-02 -1.1549787E-02 12 2.9933153E-01 1.8614348E-01 -7.3415389E-02 -1.4924607E-02 13 9.8737164E-02 3.7466576E-02 -1.5181880E-02 -3.1627476E-03 14 5.8846366E-03 -3.8449842E-01 1.9350900E-01 4.0765452E-02 15 9.9234692E-04 -5.8643833E-01 4.5697662E-01 1.0125991E-01 16 -2.9353541E-04 -1.8251468E-01 1.2936224E-01 2.7341621E-02 17 7.9188315E-05 -4.4077029E-03 -6.4295784E-01 -1.7469050E-01 18 -7.4739989E-05 -2.7996845E-03 -5.7375560E-01 -2.3692245E-01 19 2.6332183E-05 6.1193948E-04 -5.9423240E-02 -1.2665173E-01 20 -1.0340023E-05 -2.6250424E-04 -8.0889169E-04 5.0479837E-01 21 2.7668544E-06 7.0465164E-05 -2.8908361E-05 6.8528244E-01 22 2.9232150E-05 8.8073976E-06 -3.1647056E-06 -6.3710589E-07 23 8.7689546E-05 2.6398766E-05 -9.4886894E-06 -1.9099253E-06 24 2.5348510E-04 7.6394913E-05 -2.7449618E-05 -5.5261968E-06 25 6.4720247E-04 1.9491343E-04 -7.0065266E-05 -1.4102890E-05 26 1.5069224E-03 4.5487636E-04 -1.6346095E-04 -3.2909702E-05 27 3.2165120E-03 9.7257599E-04 -3.4980204E-04 -7.0410348E-05 28 6.3287943E-03 1.9326956E-03 -6.9533803E-04 -1.4002183E-04 29 1.1401135E-02 3.5451039E-03 -1.2793383E-03 -2.5759439E-04 30 1.8378014E-02 5.9982237E-03 -2.1738483E-03 -4.3819624E-04 31 2.5007012E-02 8.9694648E-03 -3.2919256E-03 -6.6404970E-04 32 2.5600086E-02 1.1293807E-02 -4.2397341E-03 -8.5857935E-04 33 1.5325819E-02 9.4897287E-03 -3.7415708E-03 -7.6059671E-04 34 3.4908427E-03 1.3280536E-03 -5.3895709E-04 -1.1227470E-04 35 1.4402200E-04 -9.3580308E-03 4.7065943E-03 9.9143585E-04 36 1.6644057E-05 -9.8475648E-03 7.6696740E-03 1.6994263E-03 37 -3.3394123E-06 -2.0916841E-03 1.4825064E-03 3.1339027E-04 38 5.9141747E-07 -3.3859866E-05 -4.9404070E-03 -1.3422226E-03 39 -3.6764306E-07 -1.4111092E-05 -2.8889930E-03 -1.1928905E-03 40 8.0081317E-08 1.9635498E-06 -1.9024604E-04 -4.0544695E-04 41 -1.8535338E-08 -5.1656364E-07 -1.5846821E-06 9.9032785E-04 42 2.6665171E-09 8.1525728E-08 -3.3901529E-08 7.8891632E-04 2P- 3P- -2.0084784E+01 -1.9043477E+00 ------------ ------------ 1 1.3522618E-04 4.6784965E-05 2 5.1359048E-04 1.7819008E-04 3 2.9018831E-03 1.0072771E-03 4 1.3653921E-02 4.7829450E-03 5 5.0648764E-02 1.7982898E-02 6 1.4006891E-01 5.1478375E-02 7 2.7388974E-01 1.0427242E-01 8 3.6704701E-01 1.4944442E-01 9 2.7230348E-01 8.9705382E-02 10 7.1909034E-02 -1.8233672E-01 11 4.3613438E-03 -4.7547773E-01 12 5.2696730E-04 -4.1648586E-01 13 7.9589440E-05 -9.2193203E-02 14 3.9790996E-05 1.3758978E-05 15 1.7413664E-04 6.0460069E-05 16 6.6730257E-04 2.3161579E-04 17 2.0183152E-03 7.0705310E-04 18 4.7812899E-03 1.6976205E-03 19 8.7526696E-03 3.2170359E-03 20 1.1679723E-02 4.4474663E-03 21 1.0919966E-02 4.4473507E-03 22 5.6904925E-03 1.8761685E-03 23 1.0453056E-03 -2.6711922E-03 24 3.6569519E-05 -4.7715942E-03 25 1.2736362E-06 -2.7648390E-03 26 -3.0271518E-06 -3.8556588E-04 2P+ 3P+ -1.9818258E+01 -1.8719576E+00 ------------ ------------ 1 -3.2867227E-05 -1.1360003E-05 2 -3.1567592E-04 -1.0960346E-04 3 -2.3461629E-03 -8.1412296E-04 4 -1.2497670E-02 -4.3770138E-03 5 -4.8350812E-02 -1.7159596E-02 6 -1.3667194E-01 -5.0198036E-02 7 -2.7080933E-01 -1.0303015E-01 8 -3.6752592E-01 -1.4963211E-01 9 -2.7690858E-01 -9.3511429E-02 10 -7.4955958E-02 1.7581346E-01 11 -4.6579599E-03 4.7246230E-01 12 -5.5740004E-04 4.2222759E-01 13 -7.8578172E-05 9.6668086E-02 14 -3.0350723E-05 -1.0480947E-05 15 -1.5116147E-04 -5.2451716E-05 16 -6.1520739E-04 -2.1333049E-04 17 -1.9223073E-03 -6.7283941E-04 18 -4.6373283E-03 -1.6448366E-03 19 -8.5954155E-03 -3.1554358E-03 20 -1.1590483E-02 -4.4077841E-03 21 -1.0958332E-02 -4.4598831E-03 22 -5.8044163E-03 -1.9598988E-03 23 -1.0983624E-03 2.5745295E-03 24 -4.6761749E-05 4.7405196E-03 25 -3.6983716E-06 2.8027514E-03 26 -3.2907018E-07 4.0393167E-04 3D- -2.7932759E-01 ------------ 1 -5.2759807E-04 2 -4.6104905E-03 3 -2.3061648E-02 4 -7.1236456E-02 5 -1.5980589E-01 6 -2.4739077E-01 7 -2.9556836E-01 8 -2.9555867E-01 9 -2.2866257E-01 10 -8.4426910E-02 11 -6.7330852E-05 12 -3.3696354E-04 13 -1.0245088E-03 14 -2.0427381E-03 15 -3.0823067E-03 16 -3.2805621E-03 17 -2.6976125E-03 18 -1.8209055E-03 19 -9.1341902E-04 20 -2.0571901E-04 3D+ -2.7735947E-01 ------------ 1 4.9843526E-04 2 4.5124054E-03 3 2.2788293E-02 4 7.0697819E-02 5 1.5884015E-01 6 2.4637172E-01 7 2.9511082E-01 8 2.9610207E-01 9 2.3024953E-01 10 8.5997824E-02 11 6.5670622E-05 12 3.3208420E-04 13 1.0150115E-03 14 2.0291462E-03 15 3.0652862E-03 16 3.2678014E-03 17 2.6938549E-03 18 1.8244105E-03 19 9.1983170E-04 20 2.0957381E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -2.0281112E+02 -2.4001967E+01 -3.0696515E+00 -2.0352395E-01 ------------ ------------ ------------ ------------ 1 6.9325755E-06 2.0910355E-06 -7.5153892E-07 -1.5129275E-07 2 2.2371782E-05 6.7554090E-06 -2.4287036E-06 -4.8889914E-07 3 9.4542081E-05 2.8604468E-05 -1.0283325E-05 -2.0702987E-06 4 3.6845592E-04 1.1157025E-04 -4.0127936E-05 -8.0778056E-06 5 1.3938327E-03 4.2325340E-04 -1.5220501E-04 -3.0645541E-05 6 4.8691907E-03 1.4818401E-03 -5.3333508E-04 -1.0736344E-04 7 1.5507929E-02 4.7661772E-03 -1.7160137E-03 -3.4558495E-04 8 4.4210614E-02 1.3833268E-02 -4.9954519E-03 -1.0059210E-03 9 1.1004453E-01 3.6126124E-02 -1.3101146E-02 -2.6410750E-03 10 2.2596739E-01 8.1489194E-02 -2.9924638E-02 -6.0368432E-03 11 3.4248417E-01 1.5184100E-01 -5.7030399E-02 -1.1549787E-02 12 2.9933154E-01 1.8614348E-01 -7.3415391E-02 -1.4924608E-02 13 9.8737160E-02 3.7466574E-02 -1.5181877E-02 -3.1627463E-03 14 5.8846389E-03 -3.8449842E-01 1.9350900E-01 4.0765450E-02 15 9.9234526E-04 -5.8643833E-01 4.5697663E-01 1.0125991E-01 16 -2.9353435E-04 -1.8251468E-01 1.2936224E-01 2.7341611E-02 17 7.9187715E-05 -4.4077014E-03 -6.4295785E-01 -1.7469049E-01 18 -7.4739631E-05 -2.7996850E-03 -5.7375561E-01 -2.3692247E-01 19 2.6331967E-05 6.1193919E-04 -5.9423222E-02 -1.2665170E-01 20 -1.0339940E-05 -2.6250412E-04 -8.0890247E-04 5.0479832E-01 21 2.7668585E-06 7.0465342E-05 -2.8907593E-05 6.8528247E-01 22 2.9265478E-05 8.8174353E-06 -3.1683129E-06 -6.3783203E-07 23 8.7675586E-05 2.6394562E-05 -9.4871785E-06 -1.9096212E-06 24 2.5349149E-04 7.6396838E-05 -2.7450310E-05 -5.5263360E-06 25 6.4719945E-04 1.9491252E-04 -7.0064939E-05 -1.4102824E-05 26 1.5069243E-03 4.5487691E-04 -1.6346115E-04 -3.2909742E-05 27 3.2165110E-03 9.7257568E-04 -3.4980193E-04 -7.0410326E-05 28 6.3287951E-03 1.9326959E-03 -6.9533811E-04 -1.4002185E-04 29 1.1401134E-02 3.5451037E-03 -1.2793383E-03 -2.5759438E-04 30 1.8378015E-02 5.9982238E-03 -2.1738484E-03 -4.3819625E-04 31 2.5007012E-02 8.9694647E-03 -3.2919256E-03 -6.6404971E-04 32 2.5600086E-02 1.1293807E-02 -4.2397341E-03 -8.5857934E-04 33 1.5325818E-02 9.4897287E-03 -3.7415709E-03 -7.6059673E-04 34 3.4908428E-03 1.3280536E-03 -5.3895700E-04 -1.1227466E-04 35 1.4402189E-04 -9.3580308E-03 4.7065942E-03 9.9143579E-04 36 1.6644131E-05 -9.8475648E-03 7.6696740E-03 1.6994264E-03 37 -3.3394579E-06 -2.0916841E-03 1.4825064E-03 3.1339016E-04 38 5.9144279E-07 -3.3859844E-05 -4.9404070E-03 -1.3422225E-03 39 -3.6765529E-07 -1.4111099E-05 -2.8889930E-03 -1.1928906E-03 40 8.0086242E-08 1.9635499E-06 -1.9024598E-04 -4.0544685E-04 41 -1.8537088E-08 -5.1656331E-07 -1.5847037E-06 9.9032775E-04 42 2.6669616E-09 8.1525790E-08 -3.3900351E-08 7.8891635E-04 2P- 3P- -2.0084784E+01 -1.9043477E+00 ------------ ------------ 1 1.3522618E-04 4.6784965E-05 2 5.1359048E-04 1.7819008E-04 3 2.9018831E-03 1.0072771E-03 4 1.3653921E-02 4.7829450E-03 5 5.0648764E-02 1.7982898E-02 6 1.4006891E-01 5.1478375E-02 7 2.7388974E-01 1.0427242E-01 8 3.6704701E-01 1.4944442E-01 9 2.7230348E-01 8.9705382E-02 10 7.1909034E-02 -1.8233672E-01 11 4.3613438E-03 -4.7547773E-01 12 5.2696730E-04 -4.1648586E-01 13 7.9589429E-05 -9.2193202E-02 14 3.9790996E-05 1.3758978E-05 15 1.7413664E-04 6.0460069E-05 16 6.6730257E-04 2.3161579E-04 17 2.0183152E-03 7.0705310E-04 18 4.7812899E-03 1.6976205E-03 19 8.7526696E-03 3.2170359E-03 20 1.1679723E-02 4.4474663E-03 21 1.0919966E-02 4.4473507E-03 22 5.6904925E-03 1.8761685E-03 23 1.0453056E-03 -2.6711922E-03 24 3.6569519E-05 -4.7715942E-03 25 1.2736362E-06 -2.7648390E-03 26 -3.0271519E-06 -3.8556588E-04 2P+ 3P+ -1.9818258E+01 -1.8719576E+00 ------------ ------------ 1 -3.2867227E-05 -1.1360003E-05 2 -3.1567591E-04 -1.0960346E-04 3 -2.3461629E-03 -8.1412296E-04 4 -1.2497670E-02 -4.3770138E-03 5 -4.8350812E-02 -1.7159596E-02 6 -1.3667194E-01 -5.0198036E-02 7 -2.7080933E-01 -1.0303015E-01 8 -3.6752592E-01 -1.4963211E-01 9 -2.7690858E-01 -9.3511429E-02 10 -7.4955958E-02 1.7581346E-01 11 -4.6579599E-03 4.7246230E-01 12 -5.5740004E-04 4.2222758E-01 13 -7.8578175E-05 9.6668086E-02 14 -3.0350723E-05 -1.0480947E-05 15 -1.5116147E-04 -5.2451716E-05 16 -6.1520739E-04 -2.1333049E-04 17 -1.9223073E-03 -6.7283941E-04 18 -4.6373283E-03 -1.6448366E-03 19 -8.5954155E-03 -3.1554358E-03 20 -1.1590483E-02 -4.4077841E-03 21 -1.0958332E-02 -4.4598831E-03 22 -5.8044163E-03 -1.9598988E-03 23 -1.0983624E-03 2.5745295E-03 24 -4.6761749E-05 4.7405196E-03 25 -3.6983717E-06 2.8027514E-03 26 -3.2907016E-07 4.0393167E-04 3D- -2.7932759E-01 ------------ 1 -5.2759807E-04 2 -4.6104905E-03 3 -2.3061648E-02 4 -7.1236456E-02 5 -1.5980589E-01 6 -2.4739077E-01 7 -2.9556836E-01 8 -2.9555867E-01 9 -2.2866257E-01 10 -8.4426911E-02 11 -6.7330852E-05 12 -3.3696354E-04 13 -1.0245088E-03 14 -2.0427381E-03 15 -3.0823067E-03 16 -3.2805621E-03 17 -2.6976125E-03 18 -1.8209055E-03 19 -9.1341902E-04 20 -2.0571901E-04 3D+ -2.7735947E-01 ------------ 1 4.9843526E-04 2 4.5124054E-03 3 2.2788293E-02 4 7.0697819E-02 5 1.5884015E-01 6 2.4637172E-01 7 2.9511082E-01 8 2.9610207E-01 9 2.3024953E-01 10 8.5997825E-02 11 6.5670621E-05 12 3.3208420E-04 13 1.0150115E-03 14 2.0291462E-03 15 3.0652862E-03 16 3.2678014E-03 17 2.6938549E-03 18 1.8244105E-03 19 9.1983170E-04 20 2.0957382E-04 ******************** CHROMIUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1673696901E+08 0.1000000000E+01 0.1000000000E+01 2 0.3200196359E+07 0.1000000000E+01 0.1000000000E+01 3 0.7061887198E+06 0.1000000000E+01 0.1000000000E+01 4 0.1776541317E+06 0.1000000000E+01 0.1000000000E+01 5 0.5032760777E+05 0.1000000000E+01 0.1000000000E+01 6 0.1585914439E+05 0.1000000000E+01 0.1000000000E+01 7 0.5491130458E+04 0.1000000000E+01 0.1000000000E+01 8 0.2063566007E+04 0.1000000000E+01 0.1000000000E+01 9 0.8314107107E+03 0.1000000000E+01 0.1000000000E+01 10 0.3547476798E+03 0.1000000000E+01 0.1000000000E+01 11 0.1583420499E+03 0.1000000000E+01 0.1000000000E+01 12 0.7303175970E+02 0.1000000000E+01 0.1000000000E+01 13 0.3438207804E+02 0.1000000000E+01 0.1000000000E+01 14 0.1632012140E+02 0.1000000000E+01 0.1000000000E+01 15 0.7715278492E+01 0.1000000000E+01 0.1000000000E+01 16 0.3588251207E+01 0.1000000000E+01 0.1000000000E+01 17 0.1621747118E+01 0.1000000000E+01 0.1000000000E+01 18 0.7035881954E+00 0.1000000000E+01 0.1000000000E+01 19 0.2894377148E+00 0.1000000000E+01 0.1000000000E+01 20 0.1115215804E+00 0.1000000000E+01 0.1000000000E+01 21 0.3975538656E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.2220077820E+05 0.1000000000E+01 0.1000000000E+01 2 0.5081811896E+04 0.1000000000E+01 0.1000000000E+01 3 0.1413134320E+04 0.1000000000E+01 0.1000000000E+01 4 0.4639219732E+03 0.1000000000E+01 0.1000000000E+01 5 0.1747371519E+03 0.1000000000E+01 0.1000000000E+01 6 0.7338149296E+02 0.1000000000E+01 0.1000000000E+01 7 0.3339111986E+02 0.1000000000E+01 0.1000000000E+01 8 0.1599929132E+02 0.1000000000E+01 0.1000000000E+01 9 0.7844729963E+01 0.1000000000E+01 0.1000000000E+01 10 0.3825118654E+01 0.1000000000E+01 0.1000000000E+01 11 0.1802534786E+01 0.1000000000E+01 0.1000000000E+01 12 0.7977676079E+00 0.1000000000E+01 0.1000000000E+01 13 0.3222591911E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.2220077820E+05 0.1000000000E+01 0.1000000000E+01 2 0.5081811896E+04 0.1000000000E+01 0.1000000000E+01 3 0.1413134320E+04 0.1000000000E+01 0.1000000000E+01 4 0.4639219732E+03 0.1000000000E+01 0.1000000000E+01 5 0.1747371519E+03 0.1000000000E+01 0.1000000000E+01 6 0.7338149296E+02 0.1000000000E+01 0.1000000000E+01 7 0.3339111986E+02 0.1000000000E+01 0.1000000000E+01 8 0.1599929132E+02 0.1000000000E+01 0.1000000000E+01 9 0.7844729963E+01 0.1000000000E+01 0.1000000000E+01 10 0.3825118654E+01 0.1000000000E+01 0.1000000000E+01 11 0.1802534786E+01 0.1000000000E+01 0.1000000000E+01 12 0.7977676079E+00 0.1000000000E+01 0.1000000000E+01 13 0.3222591911E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.2490047092E+03 0.1000000000E+01 0.1000000000E+01 2 0.7392762983E+02 0.1000000000E+01 0.1000000000E+01 3 0.2652191317E+02 0.1000000000E+01 0.1000000000E+01 4 0.1097510463E+02 0.1000000000E+01 0.1000000000E+01 5 0.5000634966E+01 0.1000000000E+01 0.1000000000E+01 6 0.2394755672E+01 0.1000000000E+01 0.1000000000E+01 7 0.1150598361E+01 0.1000000000E+01 0.1000000000E+01 8 0.5294435775E+00 0.1000000000E+01 0.1000000000E+01 9 0.2227183088E+00 0.1000000000E+01 0.1000000000E+01 10 0.8175971486E-01 0.1000000000E+01 0.1000000000E+01 D+ 1 0.2490047092E+03 0.1000000000E+01 0.1000000000E+01 2 0.7392762983E+02 0.1000000000E+01 0.1000000000E+01 3 0.2652191317E+02 0.1000000000E+01 0.1000000000E+01 4 0.1097510463E+02 0.1000000000E+01 0.1000000000E+01 5 0.5000634966E+01 0.1000000000E+01 0.1000000000E+01 6 0.2394755672E+01 0.1000000000E+01 0.1000000000E+01 7 0.1150598361E+01 0.1000000000E+01 0.1000000000E+01 8 0.5294435775E+00 0.1000000000E+01 0.1000000000E+01 9 0.2227183088E+00 0.1000000000E+01 0.1000000000E+01 10 0.8175971486E-01 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 4 2 2 0 0 OPEN SHELLS 0 0 0 1 1 NUMBER OF OPEN SHELL CONFG 5 CONF OPEN SHELL OCCUPATION NUMBERS 1 0.0 0.0 0.0 4.0 0.0 2 0.0 0.0 0.0 3.0 1.0 3 0.0 0.0 0.0 2.0 2.0 4 0.0 0.0 0.0 1.0 3.0 5 0.0 0.0 0.0 0.0 4.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -2.2235389E+02 -2.6822649E+01 -3.5741531E+00 -2.4466683E-01 ------------ ------------ ------------ ------------ 1 -7.2114317E-06 -2.1923301E-06 -8.0243320E-07 -1.8102312E-07 2 -2.2186158E-05 -6.7523409E-06 -2.4720582E-06 -5.5782866E-07 3 -9.1006981E-05 -2.7756343E-05 -1.0162534E-05 -2.2924076E-06 4 -3.4397203E-04 -1.0499980E-04 -3.8455897E-05 -8.6791856E-06 5 -1.2800588E-03 -3.9191480E-04 -1.4354716E-04 -3.2377409E-05 6 -4.4477222E-03 -1.3644138E-03 -5.0003106E-04 -1.1288042E-04 7 -1.4236257E-02 -4.4086385E-03 -1.6167374E-03 -3.6464608E-04 8 -4.1115141E-02 -1.2944793E-02 -4.7587516E-03 -1.0749603E-03 9 -1.0443779E-01 -3.4423912E-02 -1.2713778E-02 -2.8692040E-03 10 -2.2005778E-01 -7.9379571E-02 -2.9656672E-02 -6.7162704E-03 11 -3.4366400E-01 -1.5165973E-01 -5.8008756E-02 -1.3139464E-02 12 -3.0921260E-01 -1.9118681E-01 -7.6661137E-02 -1.7557465E-02 13 -1.0380679E-01 -4.2819616E-02 -1.8081982E-02 -4.0310866E-03 14 -5.9176355E-03 3.9334322E-01 2.0445269E-01 4.8043067E-02 15 -1.0531936E-03 5.8809873E-01 4.7183336E-01 1.1892968E-01 16 3.5719304E-04 1.7450026E-01 1.1031337E-01 2.3806795E-02 17 -1.1349075E-04 4.6885332E-03 -6.6802919E-01 -2.0366287E-01 18 9.1873556E-05 2.3491641E-03 -5.5624735E-01 -2.9479127E-01 19 -3.5437114E-05 -4.5254527E-04 -4.6333199E-02 -6.3350169E-02 20 1.4040211E-05 1.9273295E-04 -1.6423509E-03 5.9728956E-01 21 -3.6394443E-06 -4.8304102E-05 6.1369369E-04 5.8451182E-01 22 -2.9419453E-05 -8.9342039E-06 -3.2694493E-06 -7.3742601E-07 23 -8.7005420E-05 -2.6397357E-05 -9.6613865E-06 -2.1803805E-06 24 -2.4937629E-04 -7.5754245E-05 -2.7721983E-05 -6.2521720E-06 25 -6.3362313E-04 -1.9230877E-04 -7.0389294E-05 -1.5886469E-05 26 -1.4756649E-03 -4.4894203E-04 -1.6431099E-04 -3.7054843E-05 27 -3.1636504E-03 -9.6373764E-04 -3.5291750E-04 -7.9665548E-05 28 -6.2785051E-03 -1.9308383E-03 -7.0750943E-04 -1.5955363E-04 29 -1.1452480E-02 -3.5810939E-03 -1.3154760E-03 -2.9713176E-04 30 -1.8778279E-02 -6.1500724E-03 -2.2697687E-03 -5.1217958E-04 31 -2.6091050E-02 -9.3557742E-03 -3.4931443E-03 -7.9102695E-04 32 -2.7364868E-02 -1.2010693E-02 -4.5914111E-03 -1.0399118E-03 33 -1.6767227E-02 -1.0318319E-02 -4.1358727E-03 -9.4718574E-04 34 -3.8663440E-03 -1.5980840E-03 -6.7569871E-04 -1.5069790E-04 35 -1.5192540E-04 1.0037228E-02 5.2133823E-03 1.2249387E-03 36 -1.8481496E-05 1.0327632E-02 8.2811762E-03 2.0872428E-03 37 4.2538038E-06 2.0903624E-03 1.3216220E-03 2.8532166E-04 38 -8.9453367E-07 3.7729936E-05 -5.3763296E-03 -1.6389737E-03 39 4.7683547E-07 1.2466248E-05 -2.9488345E-03 -1.5626688E-03 40 -1.1532581E-07 -1.5425895E-06 -1.5755207E-04 -2.1540106E-04 41 2.7424742E-08 4.0809760E-07 -3.4632060E-06 1.2605503E-03 42 -3.9261379E-09 -6.1208836E-08 7.7246555E-07 7.3652697E-04 2P- 3P- -2.2668521E+01 -2.3035241E+00 ------------ ------------ 1 1.2096930E-04 -4.2931141E-05 2 4.2663761E-04 -1.5182919E-04 3 2.3425602E-03 -8.3371534E-04 4 1.1197953E-02 -4.0201158E-03 5 4.3198522E-02 -1.5693279E-02 6 1.2593515E-01 -4.7300708E-02 7 2.6073945E-01 -1.0153127E-01 8 3.6887134E-01 -1.5334541E-01 9 2.9278608E-01 -1.0594927E-01 10 8.5056252E-02 1.6211491E-01 11 5.7142574E-03 4.7293258E-01 12 6.2092717E-04 4.3072340E-01 13 4.4730604E-05 9.8224451E-02 14 3.4348924E-05 -1.2181136E-05 15 1.5123213E-04 -5.3872720E-05 16 5.8956677E-04 -2.0980977E-04 17 1.8421754E-03 -6.6141065E-04 18 4.5365050E-03 -1.6480395E-03 19 8.7078163E-03 -3.2708540E-03 20 1.2228354E-02 -4.7626684E-03 21 1.2006203E-02 -4.9926144E-03 22 6.6716442E-03 -2.4164250E-03 23 1.3475556E-03 2.5875440E-03 24 5.3747516E-05 5.1812776E-03 25 1.9418283E-06 3.1390906E-03 26 -4.0443569E-06 4.5536509E-04 2P+ 3P+ -2.2344733E+01 -2.2627894E+00 ------------ ------------ 1 2.3933372E-05 8.4847496E-06 2 2.3521306E-04 8.3811317E-05 3 1.8039824E-03 6.4192877E-04 4 1.0052452E-02 3.6090030E-03 5 4.0871454E-02 1.4844100E-02 6 1.2230355E-01 4.5916070E-02 7 2.5713038E-01 1.0007151E-01 8 3.6884664E-01 1.5332839E-01 9 2.9765090E-01 1.0988547E-01 10 8.8729621E-02 -1.5486224E-01 11 6.1418495E-03 -4.6928473E-01 12 6.5607980E-04 -4.3678852E-01 13 4.2681988E-05 -1.0327407E-01 14 2.4966245E-05 8.8416901E-06 15 1.2795936E-04 4.5564615E-05 16 5.3573055E-04 1.9048378E-04 17 1.7399939E-03 6.2426418E-04 18 4.3775028E-03 1.5888298E-03 19 8.5234496E-03 3.1981180E-03 20 1.2110446E-02 4.7109480E-03 21 1.2035600E-02 5.0010930E-03 22 6.8041401E-03 2.5114360E-03 23 1.4165552E-03 -2.4703413E-03 24 6.7314014E-05 -5.1403149E-03 25 4.7795057E-06 -3.1830562E-03 26 1.9846691E-07 -4.7833966E-04 3D- -5.0313005E-01 ------------ 1 4.4904661E-04 2 4.2949990E-03 3 2.2919872E-02 4 7.2616629E-02 5 1.6504988E-01 6 2.6156286E-01 7 3.1570831E-01 8 3.0172993E-01 9 1.8369797E-01 10 3.6213549E-02 11 6.4871950E-05 12 3.5185714E-04 13 1.1338850E-03 14 2.3181848E-03 15 3.5598450E-03 16 3.9059651E-03 17 3.2684002E-03 18 2.1191399E-03 19 8.3677854E-04 20 9.9919481E-05 3D+ -4.9996245E-01 ------------ 1 -4.1884894E-04 2 -4.1891501E-03 3 -2.2624997E-02 4 -7.2066710E-02 5 -1.6411614E-01 6 -2.6061563E-01 7 -3.1543456E-01 8 -3.0260826E-01 9 -1.8534050E-01 10 -3.6961426E-02 11 -6.3054335E-05 12 -3.4627988E-04 13 -1.1229259E-03 14 -2.3032334E-03 15 -3.5419546E-03 16 -3.8929559E-03 17 -3.2661961E-03 18 -2.1255635E-03 19 -8.4437391E-04 20 -1.0202537E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -2.2235389E+02 -2.6822649E+01 -3.5741531E+00 -2.4466683E-01 ------------ ------------ ------------ ------------ 1 -7.2118076E-06 -2.1924451E-06 -8.0247534E-07 -1.8103264E-07 2 -2.2186989E-05 -6.7525925E-06 -2.4721502E-06 -5.5784940E-07 3 -9.1005835E-05 -2.7755996E-05 -1.0162407E-05 -2.2923790E-06 4 -3.4397349E-04 -1.0500024E-04 -3.8456059E-05 -8.6792221E-06 5 -1.2800573E-03 -3.9191434E-04 -1.4354699E-04 -3.2377371E-05 6 -4.4477241E-03 -1.3644144E-03 -5.0003127E-04 -1.1288047E-04 7 -1.4236255E-02 -4.4086379E-03 -1.6167372E-03 -3.6464603E-04 8 -4.1115143E-02 -1.2944794E-02 -4.7587519E-03 -1.0749604E-03 9 -1.0443779E-01 -3.4423911E-02 -1.2713778E-02 -2.8692040E-03 10 -2.2005778E-01 -7.9379572E-02 -2.9656673E-02 -6.7162705E-03 11 -3.4366400E-01 -1.5165973E-01 -5.8008755E-02 -1.3139464E-02 12 -3.0921260E-01 -1.9118681E-01 -7.6661138E-02 -1.7557465E-02 13 -1.0380679E-01 -4.2819618E-02 -1.8081980E-02 -4.0310865E-03 14 -5.9176379E-03 3.9334323E-01 2.0445269E-01 4.8043067E-02 15 -1.0531919E-03 5.8809873E-01 4.7183336E-01 1.1892968E-01 16 3.5719207E-04 1.7450025E-01 1.1031337E-01 2.3806795E-02 17 -1.1349021E-04 4.6885349E-03 -6.6802919E-01 -2.0366287E-01 18 9.1873247E-05 2.3491647E-03 -5.5624735E-01 -2.9479127E-01 19 -3.5436948E-05 -4.5254663E-04 -4.6333197E-02 -6.3350171E-02 20 1.4040090E-05 1.9273621E-04 -1.6423545E-03 5.9728956E-01 21 -3.6393940E-06 -4.8305873E-05 6.1369553E-04 5.8451181E-01 22 -2.9463558E-05 -8.9475921E-06 -3.2743490E-06 -7.3853141E-07 23 -8.6986470E-05 -2.6391605E-05 -9.6592815E-06 -2.1799056E-06 24 -2.4938509E-04 -7.5756913E-05 -2.7722960E-05 -6.2523923E-06 25 -6.3361897E-04 -1.9230751E-04 -7.0388831E-05 -1.5886365E-05 26 -1.4756674E-03 -4.4894279E-04 -1.6431127E-04 -3.7054905E-05 27 -3.1636490E-03 -9.6373721E-04 -3.5291734E-04 -7.9665512E-05 28 -6.2785062E-03 -1.9308386E-03 -7.0750955E-04 -1.5955366E-04 29 -1.1452479E-02 -3.5810937E-03 -1.3154759E-03 -2.9713174E-04 30 -1.8778280E-02 -6.1500726E-03 -2.2697688E-03 -5.1217959E-04 31 -2.6091050E-02 -9.3557741E-03 -3.4931442E-03 -7.9102694E-04 32 -2.7364869E-02 -1.2010693E-02 -4.5914111E-03 -1.0399118E-03 33 -1.6767226E-02 -1.0318319E-02 -4.1358726E-03 -9.4718573E-04 34 -3.8663442E-03 -1.5980842E-03 -6.7569870E-04 -1.5069791E-04 35 -1.5192525E-04 1.0037228E-02 5.2133824E-03 1.2249387E-03 36 -1.8481600E-05 1.0327632E-02 8.2811761E-03 2.0872428E-03 37 4.2538694E-06 2.0903624E-03 1.3216220E-03 2.8532166E-04 38 -8.9457103E-07 3.7729939E-05 -5.3763296E-03 -1.6389737E-03 39 4.7685504E-07 1.2466255E-05 -2.9488345E-03 -1.5626688E-03 40 -1.1533545E-07 -1.5425928E-06 -1.5755207E-04 -2.1540106E-04 41 2.7428801E-08 4.0810279E-07 -3.4632126E-06 1.2605503E-03 42 -3.9272904E-09 -6.1210874E-08 7.7246767E-07 7.3652696E-04 2P- 3P- -2.2668521E+01 -2.3035241E+00 ------------ ------------ 1 1.2096930E-04 -4.2931141E-05 2 4.2663761E-04 -1.5182919E-04 3 2.3425602E-03 -8.3371534E-04 4 1.1197953E-02 -4.0201158E-03 5 4.3198522E-02 -1.5693279E-02 6 1.2593515E-01 -4.7300708E-02 7 2.6073945E-01 -1.0153127E-01 8 3.6887134E-01 -1.5334541E-01 9 2.9278608E-01 -1.0594927E-01 10 8.5056252E-02 1.6211491E-01 11 5.7142575E-03 4.7293258E-01 12 6.2092710E-04 4.3072340E-01 13 4.4730636E-05 9.8224451E-02 14 3.4348924E-05 -1.2181136E-05 15 1.5123213E-04 -5.3872720E-05 16 5.8956677E-04 -2.0980977E-04 17 1.8421754E-03 -6.6141065E-04 18 4.5365050E-03 -1.6480395E-03 19 8.7078163E-03 -3.2708540E-03 20 1.2228354E-02 -4.7626684E-03 21 1.2006203E-02 -4.9926144E-03 22 6.6716442E-03 -2.4164250E-03 23 1.3475556E-03 2.5875440E-03 24 5.3747517E-05 5.1812776E-03 25 1.9418277E-06 3.1390906E-03 26 -4.0443568E-06 4.5536509E-04 2P+ 3P+ -2.2344733E+01 -2.2627894E+00 ------------ ------------ 1 2.3933372E-05 8.4847496E-06 2 2.3521306E-04 8.3811317E-05 3 1.8039824E-03 6.4192877E-04 4 1.0052452E-02 3.6090030E-03 5 4.0871454E-02 1.4844100E-02 6 1.2230355E-01 4.5916070E-02 7 2.5713038E-01 1.0007151E-01 8 3.6884664E-01 1.5332839E-01 9 2.9765090E-01 1.0988547E-01 10 8.8729621E-02 -1.5486224E-01 11 6.1418495E-03 -4.6928473E-01 12 6.5607979E-04 -4.3678852E-01 13 4.2681997E-05 -1.0327407E-01 14 2.4966245E-05 8.8416900E-06 15 1.2795936E-04 4.5564615E-05 16 5.3573055E-04 1.9048378E-04 17 1.7399939E-03 6.2426418E-04 18 4.3775028E-03 1.5888298E-03 19 8.5234496E-03 3.1981180E-03 20 1.2110446E-02 4.7109480E-03 21 1.2035600E-02 5.0010930E-03 22 6.8041401E-03 2.5114360E-03 23 1.4165552E-03 -2.4703413E-03 24 6.7314015E-05 -5.1403149E-03 25 4.7795056E-06 -3.1830562E-03 26 1.9846693E-07 -4.7833966E-04 3D- -5.0313005E-01 ------------ 1 4.4904661E-04 2 4.2949990E-03 3 2.2919872E-02 4 7.2616629E-02 5 1.6504988E-01 6 2.6156286E-01 7 3.1570831E-01 8 3.0172993E-01 9 1.8369796E-01 10 3.6213549E-02 11 6.4871950E-05 12 3.5185714E-04 13 1.1338850E-03 14 2.3181848E-03 15 3.5598450E-03 16 3.9059651E-03 17 3.2684002E-03 18 2.1191399E-03 19 8.3677854E-04 20 9.9919483E-05 3D+ -4.9996245E-01 ------------ 1 -4.1884894E-04 2 -4.1891501E-03 3 -2.2624997E-02 4 -7.2066710E-02 5 -1.6411614E-01 6 -2.6061563E-01 7 -3.1543456E-01 8 -3.0260826E-01 9 -1.8534050E-01 10 -3.6961426E-02 11 -6.3054335E-05 12 -3.4627988E-04 13 -1.1229259E-03 14 -2.3032334E-03 15 -3.5419546E-03 16 -3.8929559E-03 17 -3.2661961E-03 18 -2.1255635E-03 19 -8.4437391E-04 20 -1.0202537E-04 ____________________ SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1802630064E+08 0.1000000000E+01 0.1000000000E+01 2 0.3394959134E+07 0.1000000000E+01 0.1000000000E+01 3 0.7393705842E+06 0.1000000000E+01 0.1000000000E+01 4 0.1838857269E+06 0.1000000000E+01 0.1000000000E+01 5 0.5157635753E+05 0.1000000000E+01 0.1000000000E+01 6 0.1611122891E+05 0.1000000000E+01 0.1000000000E+01 7 0.5535292580E+04 0.1000000000E+01 0.1000000000E+01 8 0.2065594014E+04 0.1000000000E+01 0.1000000000E+01 9 0.8267998368E+03 0.1000000000E+01 0.1000000000E+01 10 0.3505624441E+03 0.1000000000E+01 0.1000000000E+01 11 0.1554885964E+03 0.1000000000E+01 0.1000000000E+01 12 0.7124565879E+02 0.1000000000E+01 0.1000000000E+01 13 0.3330454751E+02 0.1000000000E+01 0.1000000000E+01 14 0.1568528792E+02 0.1000000000E+01 0.1000000000E+01 15 0.7349940748E+01 0.1000000000E+01 0.1000000000E+01 16 0.3384044972E+01 0.1000000000E+01 0.1000000000E+01 17 0.1511847262E+01 0.1000000000E+01 0.1000000000E+01 18 0.6472287087E+00 0.1000000000E+01 0.1000000000E+01 19 0.2622069808E+00 0.1000000000E+01 0.1000000000E+01 20 0.9927180269E-01 0.1000000000E+01 0.1000000000E+01 21 0.3468656607E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.1960747797E+05 0.1000000000E+01 0.1000000000E+01 2 0.4598427188E+04 0.1000000000E+01 0.1000000000E+01 3 0.1304135080E+04 0.1000000000E+01 0.1000000000E+01 4 0.4348087610E+03 0.1000000000E+01 0.1000000000E+01 5 0.1656811891E+03 0.1000000000E+01 0.1000000000E+01 6 0.7014295992E+02 0.1000000000E+01 0.1000000000E+01 7 0.3207507680E+02 0.1000000000E+01 0.1000000000E+01 8 0.1540142174E+02 0.1000000000E+01 0.1000000000E+01 9 0.7549186872E+01 0.1000000000E+01 0.1000000000E+01 10 0.3672168102E+01 0.1000000000E+01 0.1000000000E+01 11 0.1723315160E+01 0.1000000000E+01 0.1000000000E+01 12 0.7585136517E+00 0.1000000000E+01 0.1000000000E+01 13 0.3044075325E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.1960747797E+05 0.1000000000E+01 0.1000000000E+01 2 0.4598427188E+04 0.1000000000E+01 0.1000000000E+01 3 0.1304135080E+04 0.1000000000E+01 0.1000000000E+01 4 0.4348087610E+03 0.1000000000E+01 0.1000000000E+01 5 0.1656811891E+03 0.1000000000E+01 0.1000000000E+01 6 0.7014295992E+02 0.1000000000E+01 0.1000000000E+01 7 0.3207507680E+02 0.1000000000E+01 0.1000000000E+01 8 0.1540142174E+02 0.1000000000E+01 0.1000000000E+01 9 0.7549186872E+01 0.1000000000E+01 0.1000000000E+01 10 0.3672168102E+01 0.1000000000E+01 0.1000000000E+01 11 0.1723315160E+01 0.1000000000E+01 0.1000000000E+01 12 0.7585136517E+00 0.1000000000E+01 0.1000000000E+01 13 0.3044075325E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.2075082306E+03 0.1000000000E+01 0.1000000000E+01 2 0.6325426617E+02 0.1000000000E+01 0.1000000000E+01 3 0.2308175730E+02 0.1000000000E+01 0.1000000000E+01 4 0.9645567899E+01 0.1000000000E+01 0.1000000000E+01 5 0.4415927640E+01 0.1000000000E+01 0.1000000000E+01 6 0.2118881346E+01 0.1000000000E+01 0.1000000000E+01 7 0.1019382562E+01 0.1000000000E+01 0.1000000000E+01 8 0.4704017897E+00 0.1000000000E+01 0.1000000000E+01 9 0.1991852906E+00 0.1000000000E+01 0.1000000000E+01 10 0.7403846807E-01 0.1000000000E+01 0.1000000000E+01 D+ 1 0.2075082306E+03 0.1000000000E+01 0.1000000000E+01 2 0.6325426617E+02 0.1000000000E+01 0.1000000000E+01 3 0.2308175730E+02 0.1000000000E+01 0.1000000000E+01 4 0.9645567899E+01 0.1000000000E+01 0.1000000000E+01 5 0.4415927640E+01 0.1000000000E+01 0.1000000000E+01 6 0.2118881346E+01 0.1000000000E+01 0.1000000000E+01 7 0.1019382562E+01 0.1000000000E+01 0.1000000000E+01 8 0.4704017897E+00 0.1000000000E+01 0.1000000000E+01 9 0.1991852906E+00 0.1000000000E+01 0.1000000000E+01 10 0.7403846807E-01 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 3 2 2 0 0 OPEN SHELLS 1 0 0 1 1 NUMBER OF OPEN SHELL CONFG 5 CONF OPEN SHELL OCCUPATION NUMBERS 1 1.0 0.0 0.0 4.0 1.0 2 1.0 0.0 0.0 3.0 2.0 3 1.0 0.0 0.0 2.0 3.0 4 1.0 0.0 0.0 1.0 4.0 5 1.0 0.0 0.0 0.0 5.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -2.2218080E+02 -2.6625921E+01 -3.3897237E+00 -2.1084882E-01 ------------ ------------ ------------ ------------ 1 -6.7753440E-06 -2.0597431E-06 7.4809022E-07 1.4699899E-07 2 -2.1273294E-05 -6.4739431E-06 2.3518990E-06 4.6213109E-07 3 -8.7604220E-05 -2.6718826E-05 9.7071120E-06 1.9075680E-06 4 -3.3418556E-04 -1.0200215E-04 3.7071015E-05 7.2843120E-06 5 -1.2544456E-03 -3.8409242E-04 1.3959379E-04 2.7434164E-05 6 -4.3989933E-03 -1.3492464E-03 4.9067865E-04 9.6419960E-05 7 -1.4205133E-02 -4.3992214E-03 1.6007679E-03 3.1465813E-04 8 -4.1362863E-02 -1.3020526E-02 4.7499580E-03 9.3367706E-04 9 -1.0581388E-01 -3.4898801E-02 1.2789465E-02 2.5163693E-03 10 -2.2388004E-01 -8.0895483E-02 2.9998947E-02 5.9077460E-03 11 -3.4858748E-01 -1.5486970E-01 5.8816738E-02 1.1625310E-02 12 -3.0693039E-01 -1.9202210E-01 7.6549946E-02 1.5198129E-02 13 -9.7006390E-02 -3.0202470E-02 1.2546956E-02 2.5566841E-03 14 -4.8272604E-03 4.2351233E-01 -2.2192759E-01 -4.5793063E-02 15 -9.4645100E-04 5.7908566E-01 -4.7589988E-01 -1.0344683E-01 16 3.1804219E-04 1.4810703E-01 -4.9109271E-02 -7.5534280E-03 17 -8.8109478E-05 3.9954595E-03 6.9465879E-01 1.8746033E-01 18 7.3961216E-05 1.5677236E-03 5.0754482E-01 2.2543212E-01 19 -2.7932659E-05 -1.2484391E-04 3.7003419E-02 8.9100847E-02 20 1.0980845E-05 5.9435591E-05 2.5629775E-03 -5.1184577E-01 21 -2.9409280E-06 -1.6509207E-05 -4.5941314E-04 -6.6113643E-01 22 -2.7791458E-05 -8.4404904E-06 3.0649248E-06 6.0226586E-07 23 -8.4062814E-05 -2.5502783E-05 9.2623519E-06 1.8198523E-06 24 -2.4299351E-04 -7.3821924E-05 2.6806072E-05 5.2675699E-06 25 -6.2264751E-04 -1.8895963E-04 6.8632937E-05 1.3484809E-05 26 -1.4603926E-03 -4.4433150E-04 1.6136510E-04 3.1710461E-05 27 -3.1505570E-03 -9.5958560E-04 3.4870275E-04 6.8514100E-05 28 -6.2880528E-03 -1.9338843E-03 7.0312700E-04 1.3819911E-04 29 -1.1526817E-02 -3.6036919E-03 1.3136490E-03 2.5819293E-04 30 -1.8974415E-02 -6.2181431E-03 2.2771401E-03 4.4799714E-04 31 -2.6389765E-02 -9.4789971E-03 3.5129205E-03 6.9175186E-04 32 -2.7508086E-02 -1.2155124E-02 4.6137083E-03 9.1185269E-04 33 -1.6439626E-02 -1.0236832E-02 4.0794766E-03 8.0990220E-04 34 -3.5560692E-03 -1.1131479E-03 4.6347049E-04 9.4437828E-05 35 -1.2150174E-04 1.0595746E-02 -5.5484062E-03 -1.1447759E-03 36 -1.6201363E-05 9.9259517E-03 -8.1527011E-03 -1.7720859E-03 37 3.6721543E-06 1.7229666E-03 -5.7191236E-04 -8.8088896E-05 38 -6.6498110E-07 3.1050752E-05 5.3979615E-03 1.4565994E-03 39 3.6567164E-07 7.9759510E-06 2.5806287E-03 1.1461432E-03 40 -8.5285590E-08 -4.0472637E-07 1.1976250E-04 2.8834469E-04 41 1.9713626E-08 1.1851482E-07 5.1006369E-06 -1.0191717E-03 42 -2.8203202E-09 -1.9462168E-08 -5.3992471E-07 -7.7815984E-04 2P- 3P- -2.2476222E+01 -2.1349347E+00 ------------ ------------ 1 1.3537961E-04 -4.7574206E-05 2 4.7640950E-04 -1.6787301E-04 3 2.6066135E-03 -9.1886854E-04 4 1.2214741E-02 -4.3438296E-03 5 4.6189916E-02 -1.6637070E-02 6 1.3201439E-01 -4.9184935E-02 7 2.6809354E-01 -1.0361755E-01 8 3.7099072E-01 -1.5312928E-01 9 2.8259281E-01 -9.6593503E-02 10 7.6345630E-02 1.8018240E-01 11 4.8315705E-03 4.7400181E-01 12 5.9811681E-04 4.1568006E-01 13 1.0606934E-04 9.7895598E-02 14 3.8979536E-05 -1.3690693E-05 15 1.6705055E-04 -5.8913489E-05 16 6.3822102E-04 -2.2497149E-04 17 1.9536641E-03 -6.9481787E-04 18 4.7293347E-03 -1.7034695E-03 19 8.9290363E-03 -3.3269597E-03 20 1.2325083E-02 -4.7646317E-03 21 1.1848334E-02 -4.8919750E-03 22 6.3163138E-03 -2.1609587E-03 23 1.1841571E-03 2.8177101E-03 24 4.3163787E-05 5.0776072E-03 25 1.6973777E-06 2.9539859E-03 26 -3.5919583E-06 4.4108340E-04 2P+ 3P+ -2.2152190E+01 -2.0946377E+00 ------------ ------------ 1 -2.9096895E-05 1.0213862E-05 2 -2.7412610E-04 9.6670993E-05 3 -2.0365989E-03 7.1762454E-04 4 -1.1023079E-02 3.9189390E-03 5 -4.3785771E-02 1.5762376E-02 6 -1.2834254E-01 4.7780748E-02 7 -2.6457151E-01 1.0216980E-01 8 -3.7125926E-01 1.5321236E-01 9 -2.8759723E-01 1.0071420E-01 10 -7.9794303E-02 -1.7291109E-01 11 -5.1803811E-03 -4.7068561E-01 12 -6.3491043E-04 -4.2174936E-01 13 -1.0565826E-04 -1.0300478E-01 14 -2.8774717E-05 1.0090761E-05 15 -1.4238132E-04 5.0177161E-05 16 -5.8192679E-04 2.0489033E-04 17 -1.8484695E-03 6.5672612E-04 18 -4.5679710E-03 1.6433551E-03 19 -8.7460012E-03 3.2542259E-03 20 -1.2213652E-02 4.7143126E-03 21 -1.1886228E-02 4.9032387E-03 22 -6.4493933E-03 2.2581768E-03 23 -1.2481759E-03 -2.7026652E-03 24 -5.5515764E-05 -5.0411239E-03 25 -4.5095857E-06 -2.9968867E-03 26 -4.7656848E-07 -4.6368723E-04 3D- -3.1783118E-01 ------------ 1 -5.9264414E-04 2 -5.2456434E-03 3 -2.5948050E-02 4 -7.8493431E-02 5 -1.6910527E-01 6 -2.5206015E-01 7 -2.9379062E-01 8 -2.8711746E-01 9 -2.1676021E-01 10 -7.7760158E-02 11 -7.8797631E-05 12 -3.9832620E-04 13 -1.1983186E-03 14 -2.3496722E-03 15 -3.4277748E-03 16 -3.5407861E-03 17 -2.8628557E-03 18 -1.9007795E-03 19 -9.3379063E-04 20 -2.0422142E-04 3D+ -3.1481175E-01 ------------ 1 -5.5704098E-04 2 -5.1234655E-03 3 -2.5608861E-02 4 -7.7830777E-02 5 -1.6797278E-01 6 -2.5092430E-01 7 -2.9330512E-01 8 -2.8778897E-01 9 -2.1866583E-01 10 -7.9627515E-02 11 -7.6659616E-05 12 -3.9196389E-04 13 -1.1859699E-03 14 -2.3321516E-03 15 -3.4067978E-03 16 -3.5257449E-03 17 -2.8586486E-03 18 -1.9054209E-03 19 -9.4209358E-04 20 -2.0916018E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -2.2218080E+02 -2.6625921E+01 -3.3897237E+00 -2.1084882E-01 ------------ ------------ ------------ ------------ 1 6.7758071E-06 -2.0598845E-06 7.4814166E-07 1.4700909E-07 2 2.1274120E-05 -6.4741930E-06 2.3519896E-06 4.6214897E-07 3 8.7603065E-05 -2.6718476E-05 9.7069851E-06 1.9075430E-06 4 3.3418705E-04 -1.0200260E-04 3.7071178E-05 7.2843441E-06 5 1.2544441E-03 -3.8409196E-04 1.3959363E-04 2.7434133E-05 6 4.3989952E-03 -1.3492470E-03 4.9067887E-04 9.6420001E-05 7 1.4205131E-02 -4.3992208E-03 1.6007677E-03 3.1465810E-04 8 4.1362866E-02 -1.3020527E-02 4.7499583E-03 9.3367711E-04 9 1.0581388E-01 -3.4898800E-02 1.2789465E-02 2.5163694E-03 10 2.2388004E-01 -8.0895484E-02 2.9998948E-02 5.9077459E-03 11 3.4858747E-01 -1.5486969E-01 5.8816737E-02 1.1625312E-02 12 3.0693039E-01 -1.9202210E-01 7.6549947E-02 1.5198127E-02 13 9.7006387E-02 -3.0202468E-02 1.2546954E-02 2.5566900E-03 14 4.8272621E-03 4.2351232E-01 -2.2192758E-01 -4.5793081E-02 15 9.4645082E-04 5.7908567E-01 -4.7589989E-01 -1.0344680E-01 16 -3.1804276E-04 1.4810703E-01 -4.9109262E-02 -7.5534845E-03 17 8.8110244E-05 3.9954649E-03 6.9465878E-01 1.8746041E-01 18 -7.3961958E-05 1.5677194E-03 5.0754483E-01 2.2543200E-01 19 2.7933249E-05 -1.2484124E-04 3.7003413E-02 8.9101046E-02 20 -1.0981120E-05 5.9434357E-05 2.5629798E-03 -5.1184601E-01 21 2.9410952E-06 -1.6508495E-05 -4.5941516E-04 -6.6113630E-01 22 2.7839197E-05 -8.4549818E-06 3.0701873E-06 6.0329995E-07 23 8.4042727E-05 -2.5496685E-05 9.2601378E-06 1.8194172E-06 24 2.4300272E-04 -7.3824718E-05 2.6807087E-05 5.2677694E-06 25 6.2264320E-04 -1.8895833E-04 6.8632463E-05 1.3484716E-05 26 1.4603952E-03 -4.4433228E-04 1.6136538E-04 3.1710518E-05 27 3.1505555E-03 -9.5958516E-04 3.4870259E-04 6.8514069E-05 28 6.2880539E-03 -1.9338846E-03 7.0312712E-04 1.3819914E-04 29 1.1526817E-02 -3.6036917E-03 1.3136489E-03 2.5819291E-04 30 1.8974416E-02 -6.2181433E-03 2.2771402E-03 4.4799718E-04 31 2.6389765E-02 -9.4789970E-03 3.5129205E-03 6.9175182E-04 32 2.7508087E-02 -1.2155124E-02 4.6137083E-03 9.1185279E-04 33 1.6439626E-02 -1.0236832E-02 4.0794766E-03 8.0990207E-04 34 3.5560694E-03 -1.1131479E-03 4.6347046E-04 9.4438053E-05 35 1.2150158E-04 1.0595746E-02 -5.5484062E-03 -1.1447764E-03 36 1.6201485E-05 9.9259517E-03 -8.1527012E-03 -1.7720853E-03 37 -3.6722299E-06 1.7229665E-03 -5.7191226E-04 -8.8089553E-05 38 6.6502215E-07 3.1050781E-05 5.3979614E-03 1.4566000E-03 39 -3.6569232E-07 7.9759360E-06 2.5806287E-03 1.1461426E-03 40 8.5296197E-08 -4.0472022E-07 1.1976248E-04 2.8834534E-04 41 -1.9718500E-08 1.1851294E-07 5.1006414E-06 -1.0191722E-03 42 2.8216507E-09 -1.9461493E-08 -5.3992704E-07 -7.7815969E-04 2P- 3P- -2.2476222E+01 -2.1349347E+00 ------------ ------------ 1 1.3537961E-04 -4.7574206E-05 2 4.7640950E-04 -1.6787301E-04 3 2.6066135E-03 -9.1886854E-04 4 1.2214741E-02 -4.3438296E-03 5 4.6189916E-02 -1.6637070E-02 6 1.3201439E-01 -4.9184935E-02 7 2.6809354E-01 -1.0361755E-01 8 3.7099072E-01 -1.5312928E-01 9 2.8259281E-01 -9.6593503E-02 10 7.6345630E-02 1.8018240E-01 11 4.8315705E-03 4.7400181E-01 12 5.9811680E-04 4.1568006E-01 13 1.0606937E-04 9.7895598E-02 14 3.8979536E-05 -1.3690693E-05 15 1.6705055E-04 -5.8913489E-05 16 6.3822102E-04 -2.2497149E-04 17 1.9536641E-03 -6.9481787E-04 18 4.7293347E-03 -1.7034695E-03 19 8.9290363E-03 -3.3269597E-03 20 1.2325083E-02 -4.7646317E-03 21 1.1848334E-02 -4.8919750E-03 22 6.3163138E-03 -2.1609587E-03 23 1.1841571E-03 2.8177101E-03 24 4.3163788E-05 5.0776072E-03 25 1.6973777E-06 2.9539859E-03 26 -3.5919582E-06 4.4108340E-04 2P+ 3P+ -2.2152190E+01 -2.0946377E+00 ------------ ------------ 1 -2.9096895E-05 1.0213862E-05 2 -2.7412610E-04 9.6670993E-05 3 -2.0365989E-03 7.1762454E-04 4 -1.1023079E-02 3.9189390E-03 5 -4.3785771E-02 1.5762376E-02 6 -1.2834254E-01 4.7780748E-02 7 -2.6457151E-01 1.0216980E-01 8 -3.7125926E-01 1.5321236E-01 9 -2.8759723E-01 1.0071420E-01 10 -7.9794303E-02 -1.7291109E-01 11 -5.1803811E-03 -4.7068561E-01 12 -6.3491043E-04 -4.2174936E-01 13 -1.0565825E-04 -1.0300478E-01 14 -2.8774717E-05 1.0090761E-05 15 -1.4238132E-04 5.0177161E-05 16 -5.8192679E-04 2.0489033E-04 17 -1.8484695E-03 6.5672612E-04 18 -4.5679710E-03 1.6433551E-03 19 -8.7460012E-03 3.2542259E-03 20 -1.2213652E-02 4.7143126E-03 21 -1.1886228E-02 4.9032387E-03 22 -6.4493933E-03 2.2581768E-03 23 -1.2481759E-03 -2.7026652E-03 24 -5.5515764E-05 -5.0411239E-03 25 -4.5095857E-06 -2.9968867E-03 26 -4.7656847E-07 -4.6368723E-04 3D- -3.1783118E-01 ------------ 1 -5.9264414E-04 2 -5.2456434E-03 3 -2.5948050E-02 4 -7.8493431E-02 5 -1.6910527E-01 6 -2.5206015E-01 7 -2.9379062E-01 8 -2.8711746E-01 9 -2.1676021E-01 10 -7.7760158E-02 11 -7.8797631E-05 12 -3.9832620E-04 13 -1.1983186E-03 14 -2.3496722E-03 15 -3.4277748E-03 16 -3.5407861E-03 17 -2.8628557E-03 18 -1.9007795E-03 19 -9.3379063E-04 20 -2.0422142E-04 3D+ -3.1481175E-01 ------------ 1 -5.5704098E-04 2 -5.1234655E-03 3 -2.5608861E-02 4 -7.7830777E-02 5 -1.6797278E-01 6 -2.5092430E-01 7 -2.9330512E-01 8 -2.8778897E-01 9 -2.1866583E-01 10 -7.9627514E-02 11 -7.6659616E-05 12 -3.9196389E-04 13 -1.1859699E-03 14 -2.3321516E-03 15 -3.4067978E-03 16 -3.5257449E-03 17 -2.8586486E-03 18 -1.9054209E-03 19 -9.4209357E-04 20 -2.0916018E-04 ******************** MANGANESE SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1890813226E+08 0.1000000000E+01 0.1000000000E+01 2 0.3508658563E+07 0.1000000000E+01 0.1000000000E+01 3 0.7558645040E+06 0.1000000000E+01 0.1000000000E+01 4 0.1866366050E+06 0.1000000000E+01 0.1000000000E+01 5 0.5214820905E+05 0.1000000000E+01 0.1000000000E+01 6 0.1627838562E+05 0.1000000000E+01 0.1000000000E+01 7 0.5604699003E+04 0.1000000000E+01 0.1000000000E+01 8 0.2101367198E+04 0.1000000000E+01 0.1000000000E+01 9 0.8470322798E+03 0.1000000000E+01 0.1000000000E+01 10 0.3623981710E+03 0.1000000000E+01 0.1000000000E+01 11 0.1624799293E+03 0.1000000000E+01 0.1000000000E+01 12 0.7536692553E+02 0.1000000000E+01 0.1000000000E+01 13 0.3570827708E+02 0.1000000000E+01 0.1000000000E+01 14 0.1706096834E+02 0.1000000000E+01 0.1000000000E+01 15 0.8115677995E+01 0.1000000000E+01 0.1000000000E+01 16 0.3794651985E+01 0.1000000000E+01 0.1000000000E+01 17 0.1721808219E+01 0.1000000000E+01 0.1000000000E+01 18 0.7485192024E+00 0.1000000000E+01 0.1000000000E+01 19 0.3077982356E+00 0.1000000000E+01 0.1000000000E+01 20 0.1181990487E+00 0.1000000000E+01 0.1000000000E+01 21 0.4184910526E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.2640361549E+05 0.1000000000E+01 0.1000000000E+01 2 0.5979786067E+04 0.1000000000E+01 0.1000000000E+01 3 0.1645393078E+04 0.1000000000E+01 0.1000000000E+01 4 0.5347202165E+03 0.1000000000E+01 0.1000000000E+01 5 0.1995113505E+03 0.1000000000E+01 0.1000000000E+01 6 0.8308140382E+02 0.1000000000E+01 0.1000000000E+01 7 0.3753586296E+02 0.1000000000E+01 0.1000000000E+01 8 0.1788572265E+02 0.1000000000E+01 0.1000000000E+01 9 0.8737661868E+01 0.1000000000E+01 0.1000000000E+01 10 0.4254257562E+01 0.1000000000E+01 0.1000000000E+01 11 0.2006796222E+01 0.1000000000E+01 0.1000000000E+01 12 0.8915482823E+00 0.1000000000E+01 0.1000000000E+01 13 0.3626266393E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.2640361549E+05 0.1000000000E+01 0.1000000000E+01 2 0.5979786067E+04 0.1000000000E+01 0.1000000000E+01 3 0.1645393078E+04 0.1000000000E+01 0.1000000000E+01 4 0.5347202165E+03 0.1000000000E+01 0.1000000000E+01 5 0.1995113505E+03 0.1000000000E+01 0.1000000000E+01 6 0.8308140382E+02 0.1000000000E+01 0.1000000000E+01 7 0.3753586296E+02 0.1000000000E+01 0.1000000000E+01 8 0.1788572265E+02 0.1000000000E+01 0.1000000000E+01 9 0.8737661868E+01 0.1000000000E+01 0.1000000000E+01 10 0.4254257562E+01 0.1000000000E+01 0.1000000000E+01 11 0.2006796222E+01 0.1000000000E+01 0.1000000000E+01 12 0.8915482823E+00 0.1000000000E+01 0.1000000000E+01 13 0.3626266393E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.2444807265E+03 0.1000000000E+01 0.1000000000E+01 2 0.7586102116E+02 0.1000000000E+01 0.1000000000E+01 3 0.2814111223E+02 0.1000000000E+01 0.1000000000E+01 4 0.1192503244E+02 0.1000000000E+01 0.1000000000E+01 5 0.5515956573E+01 0.1000000000E+01 0.1000000000E+01 6 0.2661167960E+01 0.1000000000E+01 0.1000000000E+01 7 0.1279561406E+01 0.1000000000E+01 0.1000000000E+01 8 0.5859149762E+00 0.1000000000E+01 0.1000000000E+01 9 0.2441405426E+00 0.1000000000E+01 0.1000000000E+01 10 0.8845538415E-01 0.1000000000E+01 0.1000000000E+01 D+ 1 0.2444807265E+03 0.1000000000E+01 0.1000000000E+01 2 0.7586102116E+02 0.1000000000E+01 0.1000000000E+01 3 0.2814111223E+02 0.1000000000E+01 0.1000000000E+01 4 0.1192503244E+02 0.1000000000E+01 0.1000000000E+01 5 0.5515956573E+01 0.1000000000E+01 0.1000000000E+01 6 0.2661167960E+01 0.1000000000E+01 0.1000000000E+01 7 0.1279561406E+01 0.1000000000E+01 0.1000000000E+01 8 0.5859149762E+00 0.1000000000E+01 0.1000000000E+01 9 0.2441405426E+00 0.1000000000E+01 0.1000000000E+01 10 0.8845538415E-01 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 4 2 2 0 0 OPEN SHELLS 0 0 0 1 1 NUMBER OF OPEN SHELL CONFG 5 CONF OPEN SHELL OCCUPATION NUMBERS 1 0.0 0.0 0.0 4.0 1.0 2 0.0 0.0 0.0 3.0 2.0 3 0.0 0.0 0.0 2.0 3.0 4 0.0 0.0 0.0 1.0 4.0 5 0.0 0.0 0.0 0.0 5.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -2.4263895E+02 -2.9585613E+01 -3.9166482E+00 -2.5433066E-01 ------------ ------------ ------------ ------------ 1 7.5126195E-06 -2.3005538E-06 -8.4901050E-07 -1.8786898E-07 2 2.3906848E-05 -7.3298386E-06 -2.7053898E-06 -5.9874348E-07 3 9.7923289E-05 -3.0089665E-05 -1.1108976E-05 -2.4581438E-06 4 3.7229354E-04 -1.1452398E-04 -4.2285805E-05 -9.3596361E-06 5 1.3900554E-03 -4.2893698E-04 -1.5844059E-04 -3.5058024E-05 6 4.8420859E-03 -1.4975639E-03 -5.5328762E-04 -1.2248838E-04 7 1.5484180E-02 -4.8368220E-03 -1.7892020E-03 -3.9591856E-04 8 4.4482482E-02 -1.4146215E-02 -5.2434226E-03 -1.1614746E-03 9 1.1164965E-01 -3.7278603E-02 -1.3898883E-02 -3.0780083E-03 10 2.3045538E-01 -8.4698236E-02 -3.1939194E-02 -7.0928581E-03 11 3.4759291E-01 -1.5790619E-01 -6.1164194E-02 -1.3604062E-02 12 2.9592381E-01 -1.8906589E-01 -7.6712915E-02 -1.7224168E-02 13 9.1466021E-02 -2.1308592E-02 -9.2577330E-03 -2.0159206E-03 14 4.7657487E-03 4.2350326E-01 2.2913867E-01 5.3191315E-02 15 8.1224372E-04 5.7086860E-01 4.7621941E-01 1.1790046E-01 16 -2.5042501E-04 1.5231511E-01 5.9470683E-02 1.0127482E-02 17 5.0915281E-05 4.8142265E-03 -6.8899210E-01 -2.0931432E-01 18 -5.5710230E-05 1.6047948E-03 -5.2269665E-01 -2.8168652E-01 19 1.9352336E-05 -1.4461245E-04 -3.7641427E-02 -4.5263545E-02 20 -7.6049127E-06 6.7140180E-05 -2.1666220E-03 5.9627456E-01 21 1.9585458E-06 -1.5385961E-05 7.2265443E-04 5.7458844E-01 22 2.9874577E-05 -9.1385047E-06 -3.3721448E-06 -7.4609980E-07 23 9.2306521E-05 -2.8211035E-05 -1.0408535E-05 -2.3036766E-06 24 2.6801163E-04 -8.2007433E-05 -3.0262247E-05 -6.6953463E-06 25 6.8864038E-04 -2.1054514E-04 -7.7684369E-05 -1.7194254E-05 26 1.6141490E-03 -4.9468726E-04 -1.8258347E-04 -4.0394384E-05 27 3.4710648E-03 -1.0654484E-03 -3.9329506E-04 -8.7061492E-05 28 6.8825924E-03 -2.1337926E-03 -7.8863372E-04 -1.7448784E-04 29 1.2491801E-02 -3.9432253E-03 -1.4603528E-03 -3.2345331E-04 30 2.0259270E-02 -6.7176617E-03 -2.5026404E-03 -5.5416710E-04 31 2.7622818E-02 -1.0086876E-02 -3.8010220E-03 -8.4403758E-04 32 2.8048543E-02 -1.2667341E-02 -4.9036390E-03 -1.0905718E-03 33 1.6309142E-02 -1.0367380E-02 -4.2049274E-03 -9.4407996E-04 34 3.4734841E-03 -8.1804601E-04 -3.5658273E-04 -7.7734898E-05 35 1.2518723E-04 1.1050133E-02 5.9740663E-03 1.3866537E-03 36 1.4586305E-05 1.0282711E-02 8.5725476E-03 2.1222521E-03 37 -3.0448273E-06 1.8764541E-03 7.3329686E-04 1.2504806E-04 38 3.9565099E-07 3.9938260E-05 -5.7135954E-03 -1.7356455E-03 39 -2.9107158E-07 8.7777600E-06 -2.8581045E-03 -1.5401431E-03 40 6.1363622E-08 -5.0662450E-07 -1.3199576E-04 -1.5871427E-04 41 -1.3844614E-08 1.4556370E-07 -4.7048660E-06 1.2955349E-03 42 1.7479144E-09 -1.9779321E-08 9.3350396E-07 7.4284364E-04 2P- 3P- -2.5196389E+01 -2.5550330E+00 ------------ ------------ 1 1.2142686E-04 -4.3633940E-05 2 4.1136605E-04 -1.4821090E-04 3 2.2075014E-03 -7.9547018E-04 4 1.0561831E-02 -3.8383719E-03 5 4.1351637E-02 -1.5204686E-02 6 1.2293324E-01 -4.6725484E-02 7 2.5951424E-01 -1.0239892E-01 8 3.7160848E-01 -1.5651411E-01 9 2.9553996E-01 -1.0746062E-01 10 8.5500999E-02 1.6651300E-01 11 5.8810718E-03 4.7324945E-01 12 6.6900020E-04 4.2581411E-01 13 7.0027994E-05 9.9458000E-02 14 3.3797205E-05 -1.2136536E-05 15 1.4876940E-04 -5.3659953E-05 16 5.8355917E-04 -2.1027128E-04 17 1.8475453E-03 -6.7150990E-04 18 4.6234169E-03 -1.7000027E-03 19 9.0317556E-03 -3.4331254E-03 20 1.2896346E-02 -5.0897574E-03 21 1.2784740E-02 -5.3864161E-03 22 7.1054785E-03 -2.5861863E-03 23 1.4275221E-03 2.8029188E-03 24 5.7657464E-05 5.4707214E-03 25 2.2051067E-06 3.2806805E-03 26 -4.6641895E-06 4.8914723E-04 2P+ 3P+ -2.4806225E+01 -2.5050732E+00 ------------ ------------ 1 -2.1221761E-05 -7.6173015E-06 2 -2.1094106E-04 -7.6100715E-05 3 -1.6431433E-03 -5.9194842E-04 4 -9.3481191E-03 -3.3971442E-03 5 -3.8864798E-02 -1.4284870E-02 6 -1.1898520E-01 -4.5198709E-02 7 -2.5551137E-01 -1.0074801E-01 8 -3.7150536E-01 -1.5645387E-01 9 -3.0084473E-01 -1.1181538E-01 10 -8.9502573E-02 1.5851537E-01 11 -6.3476904E-03 4.6938812E-01 12 -7.0984237E-04 4.3236410E-01 13 -6.8676751E-05 1.0502613E-01 14 -2.3679018E-05 -8.4894839E-06 15 -1.2339006E-04 -4.4482902E-05 16 -5.2429431E-04 -1.8871271E-04 17 -1.7336176E-03 -6.2952617E-04 18 -4.4436355E-03 -1.6320825E-03 19 -8.8196255E-03 -3.3481666E-03 20 -1.2757377E-02 -5.0275165E-03 21 -1.2816819E-02 -5.3951294E-03 22 -7.2582863E-03 -2.6971345E-03 23 -1.5070028E-03 2.6666061E-03 24 -7.3410906E-05 5.4249390E-03 25 -5.4662704E-06 3.3308773E-03 26 -3.3849262E-07 5.1602634E-04 3D- -5.5117149E-01 ------------ 1 -5.8406424E-04 2 -4.9983454E-03 3 -2.5007103E-02 4 -7.6765238E-02 5 -1.7062360E-01 6 -2.6592702E-01 7 -3.1660184E-01 8 -2.9684100E-01 9 -1.7523065E-01 10 -3.2433027E-02 11 -8.3625187E-05 12 -4.1475249E-04 13 -1.2739130E-03 14 -2.5541396E-03 15 -3.8646555E-03 16 -4.1860499E-03 17 -3.4563458E-03 18 -2.1931371E-03 19 -8.3569285E-04 20 -9.3072171E-05 3D+ -5.4674501E-01 ------------ 1 -5.4424060E-04 2 -4.8696331E-03 3 -2.4655853E-02 4 -7.6117589E-02 5 -1.6954567E-01 6 -2.6486718E-01 7 -3.1631877E-01 8 -2.9789380E-01 9 -1.7716703E-01 10 -3.3282642E-02 11 -8.1163317E-05 12 -4.0769959E-04 13 -1.2603625E-03 14 -2.5356550E-03 15 -3.8429636E-03 16 -4.1707114E-03 17 -3.4540263E-03 18 -2.2012153E-03 19 -8.4506392E-04 20 -9.5558824E-05 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -2.4263895E+02 -2.9585613E+01 -3.9166482E+00 -2.5433066E-01 ------------ ------------ ------------ ------------ 1 -7.5132697E-06 -2.3007539E-06 -8.4908438E-07 -1.8788535E-07 2 -2.3907856E-05 -7.3301459E-06 -2.7055031E-06 -5.9876855E-07 3 -9.7921872E-05 -3.0089234E-05 -1.1108816E-05 -2.4581085E-06 4 -3.7229538E-04 -1.1452454E-04 -4.2286012E-05 -9.3596820E-06 5 -1.3900535E-03 -4.2893641E-04 -1.5844038E-04 -3.5057978E-05 6 -4.8420884E-03 -1.4975646E-03 -5.5328789E-04 -1.2248844E-04 7 -1.5484178E-02 -4.8368212E-03 -1.7892017E-03 -3.9591850E-04 8 -4.4482485E-02 -1.4146216E-02 -5.2434230E-03 -1.1614747E-03 9 -1.1164965E-01 -3.7278602E-02 -1.3898882E-02 -3.0780082E-03 10 -2.3045538E-01 -8.4698238E-02 -3.1939194E-02 -7.0928583E-03 11 -3.4759290E-01 -1.5790619E-01 -6.1164193E-02 -1.3604061E-02 12 -2.9592381E-01 -1.8906589E-01 -7.6712916E-02 -1.7224168E-02 13 -9.1466017E-02 -2.1308591E-02 -9.2577318E-03 -2.0159204E-03 14 -4.7657517E-03 4.2350326E-01 2.2913867E-01 5.3191315E-02 15 -8.1224155E-04 5.7086860E-01 4.7621941E-01 1.1790046E-01 16 2.5042363E-04 1.5231510E-01 5.9470681E-02 1.0127482E-02 17 -5.0914505E-05 4.8142274E-03 -6.8899210E-01 -2.0931432E-01 18 5.5709839E-05 1.6047946E-03 -5.2269665E-01 -2.8168652E-01 19 -1.9352161E-05 -1.4461267E-04 -3.7641426E-02 -4.5263545E-02 20 7.6048541E-06 6.7140938E-05 -2.1666227E-03 5.9627456E-01 21 -1.9585339E-06 -1.5386385E-05 7.2265477E-04 5.7458844E-01 22 -2.9934035E-05 -9.1566848E-06 -3.3788529E-06 -7.4758421E-07 23 -9.2282045E-05 -2.8203551E-05 -1.0405774E-05 -2.3030656E-06 24 -2.6802279E-04 -8.2010847E-05 -3.0263507E-05 -6.6956250E-06 25 -6.8863520E-04 -2.1054356E-04 -7.7683786E-05 -1.7194125E-05 26 -1.6141522E-03 -4.9468821E-04 -1.8258383E-04 -4.0394462E-05 27 -3.4710631E-03 -1.0654479E-03 -3.9329487E-04 -8.7061449E-05 28 -6.8825937E-03 -2.1337930E-03 -7.8863388E-04 -1.7448787E-04 29 -1.2491800E-02 -3.9432250E-03 -1.4603528E-03 -3.2345329E-04 30 -2.0259271E-02 -6.7176619E-03 -2.5026405E-03 -5.5416712E-04 31 -2.7622818E-02 -1.0086876E-02 -3.8010219E-03 -8.4403757E-04 32 -2.8048543E-02 -1.2667341E-02 -4.9036390E-03 -1.0905718E-03 33 -1.6309142E-02 -1.0367380E-02 -4.2049273E-03 -9.4407995E-04 34 -3.4734844E-03 -8.1804608E-04 -3.5658274E-04 -7.7734901E-05 35 -1.2518702E-04 1.1050133E-02 5.9740663E-03 1.3866537E-03 36 -1.4586446E-05 1.0282711E-02 8.5725475E-03 2.1222521E-03 37 3.0449137E-06 1.8764541E-03 7.3329684E-04 1.2504806E-04 38 -3.9569946E-07 3.9938251E-05 -5.7135954E-03 -1.7356455E-03 39 2.9109648E-07 8.7777669E-06 -2.8581045E-03 -1.5401431E-03 40 -6.1375218E-08 -5.0662790E-07 -1.3199576E-04 -1.5871427E-04 41 1.3849352E-08 1.4556609E-07 -4.7048669E-06 1.2955349E-03 42 -1.7493026E-09 -1.9780164E-08 9.3350421E-07 7.4284364E-04 2P- 3P- -2.5196389E+01 -2.5550330E+00 ------------ ------------ 1 1.2142686E-04 -4.3633940E-05 2 4.1136605E-04 -1.4821090E-04 3 2.2075014E-03 -7.9547018E-04 4 1.0561831E-02 -3.8383719E-03 5 4.1351637E-02 -1.5204686E-02 6 1.2293324E-01 -4.6725484E-02 7 2.5951424E-01 -1.0239892E-01 8 3.7160848E-01 -1.5651411E-01 9 2.9553996E-01 -1.0746062E-01 10 8.5500999E-02 1.6651300E-01 11 5.8810717E-03 4.7324945E-01 12 6.6900024E-04 4.2581411E-01 13 7.0028011E-05 9.9458000E-02 14 3.3797204E-05 -1.2136536E-05 15 1.4876940E-04 -5.3659953E-05 16 5.8355917E-04 -2.1027128E-04 17 1.8475453E-03 -6.7150990E-04 18 4.6234169E-03 -1.7000027E-03 19 9.0317556E-03 -3.4331254E-03 20 1.2896346E-02 -5.0897574E-03 21 1.2784740E-02 -5.3864161E-03 22 7.1054785E-03 -2.5861863E-03 23 1.4275221E-03 2.8029188E-03 24 5.7657463E-05 5.4707214E-03 25 2.2051071E-06 3.2806805E-03 26 -4.6641894E-06 4.8914723E-04 2P+ 3P+ -2.4806225E+01 -2.5050732E+00 ------------ ------------ 1 -2.1221761E-05 -7.6173015E-06 2 -2.1094106E-04 -7.6100715E-05 3 -1.6431433E-03 -5.9194842E-04 4 -9.3481191E-03 -3.3971442E-03 5 -3.8864798E-02 -1.4284870E-02 6 -1.1898520E-01 -4.5198709E-02 7 -2.5551137E-01 -1.0074801E-01 8 -3.7150536E-01 -1.5645387E-01 9 -3.0084473E-01 -1.1181539E-01 10 -8.9502573E-02 1.5851537E-01 11 -6.3476904E-03 4.6938812E-01 12 -7.0984244E-04 4.3236410E-01 13 -6.8676729E-05 1.0502613E-01 14 -2.3679018E-05 -8.4894839E-06 15 -1.2339006E-04 -4.4482902E-05 16 -5.2429431E-04 -1.8871271E-04 17 -1.7336176E-03 -6.2952617E-04 18 -4.4436355E-03 -1.6320825E-03 19 -8.8196255E-03 -3.3481666E-03 20 -1.2757377E-02 -5.0275165E-03 21 -1.2816819E-02 -5.3951294E-03 22 -7.2582863E-03 -2.6971345E-03 23 -1.5070028E-03 2.6666061E-03 24 -7.3410905E-05 5.4249390E-03 25 -5.4662710E-06 3.3308774E-03 26 -3.3849252E-07 5.1602634E-04 3D- -5.5117149E-01 ------------ 1 -5.8406424E-04 2 -4.9983454E-03 3 -2.5007103E-02 4 -7.6765238E-02 5 -1.7062360E-01 6 -2.6592702E-01 7 -3.1660184E-01 8 -2.9684100E-01 9 -1.7523065E-01 10 -3.2433027E-02 11 -8.3625187E-05 12 -4.1475249E-04 13 -1.2739130E-03 14 -2.5541396E-03 15 -3.8646555E-03 16 -4.1860499E-03 17 -3.4563458E-03 18 -2.1931371E-03 19 -8.3569285E-04 20 -9.3072172E-05 3D+ -5.4674501E-01 ------------ 1 -5.4424060E-04 2 -4.8696331E-03 3 -2.4655853E-02 4 -7.6117589E-02 5 -1.6954567E-01 6 -2.6486718E-01 7 -3.1631877E-01 8 -2.9789380E-01 9 -1.7716703E-01 10 -3.3282642E-02 11 -8.1163317E-05 12 -4.0769959E-04 13 -1.2603625E-03 14 -2.5356550E-03 15 -3.8429636E-03 16 -4.1707114E-03 17 -3.4540263E-03 18 -2.2012153E-03 19 -8.4506392E-04 20 -9.5558824E-05 ____________________ SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1791899293E+08 0.1000000000E+01 0.1000000000E+01 2 0.3329567732E+07 0.1000000000E+01 0.1000000000E+01 3 0.7205581515E+06 0.1000000000E+01 0.1000000000E+01 4 0.1791931382E+06 0.1000000000E+01 0.1000000000E+01 5 0.5052532380E+05 0.1000000000E+01 0.1000000000E+01 6 0.1593662884E+05 0.1000000000E+01 0.1000000000E+01 7 0.5548143246E+04 0.1000000000E+01 0.1000000000E+01 8 0.2103424654E+04 0.1000000000E+01 0.1000000000E+01 9 0.8568377133E+03 0.1000000000E+01 0.1000000000E+01 10 0.3700213119E+03 0.1000000000E+01 0.1000000000E+01 11 0.1671381871E+03 0.1000000000E+01 0.1000000000E+01 12 0.7791295063E+02 0.1000000000E+01 0.1000000000E+01 13 0.3698221034E+02 0.1000000000E+01 0.1000000000E+01 14 0.1763557228E+02 0.1000000000E+01 0.1000000000E+01 15 0.8336120096E+01 0.1000000000E+01 0.1000000000E+01 16 0.3853721384E+01 0.1000000000E+01 0.1000000000E+01 17 0.1719106728E+01 0.1000000000E+01 0.1000000000E+01 18 0.7301225742E+00 0.1000000000E+01 0.1000000000E+01 19 0.2912885100E+00 0.1000000000E+01 0.1000000000E+01 20 0.1077084572E+00 0.1000000000E+01 0.1000000000E+01 21 0.3641995144E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.2243162332E+05 0.1000000000E+01 0.1000000000E+01 2 0.5237608246E+04 0.1000000000E+01 0.1000000000E+01 3 0.1478280948E+04 0.1000000000E+01 0.1000000000E+01 4 0.4904219636E+03 0.1000000000E+01 0.1000000000E+01 5 0.1859555361E+03 0.1000000000E+01 0.1000000000E+01 6 0.7836315006E+02 0.1000000000E+01 0.1000000000E+01 7 0.3568745151E+02 0.1000000000E+01 0.1000000000E+01 8 0.1707880055E+02 0.1000000000E+01 0.1000000000E+01 9 0.8351696106E+01 0.1000000000E+01 0.1000000000E+01 10 0.4057932227E+01 0.1000000000E+01 0.1000000000E+01 11 0.1904956178E+01 0.1000000000E+01 0.1000000000E+01 12 0.8401417904E+00 0.1000000000E+01 0.1000000000E+01 13 0.3384892564E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.2243162332E+05 0.1000000000E+01 0.1000000000E+01 2 0.5237608246E+04 0.1000000000E+01 0.1000000000E+01 3 0.1478280948E+04 0.1000000000E+01 0.1000000000E+01 4 0.4904219636E+03 0.1000000000E+01 0.1000000000E+01 5 0.1859555361E+03 0.1000000000E+01 0.1000000000E+01 6 0.7836315006E+02 0.1000000000E+01 0.1000000000E+01 7 0.3568745151E+02 0.1000000000E+01 0.1000000000E+01 8 0.1707880055E+02 0.1000000000E+01 0.1000000000E+01 9 0.8351696106E+01 0.1000000000E+01 0.1000000000E+01 10 0.4057932227E+01 0.1000000000E+01 0.1000000000E+01 11 0.1904956178E+01 0.1000000000E+01 0.1000000000E+01 12 0.8401417904E+00 0.1000000000E+01 0.1000000000E+01 13 0.3384892564E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.2433238431E+03 0.1000000000E+01 0.1000000000E+01 2 0.7579631204E+02 0.1000000000E+01 0.1000000000E+01 3 0.2787053110E+02 0.1000000000E+01 0.1000000000E+01 4 0.1160691855E+02 0.1000000000E+01 0.1000000000E+01 5 0.5252957790E+01 0.1000000000E+01 0.1000000000E+01 6 0.2478831054E+01 0.1000000000E+01 0.1000000000E+01 7 0.1170271823E+01 0.1000000000E+01 0.1000000000E+01 8 0.5303519034E+00 0.1000000000E+01 0.1000000000E+01 9 0.2213705474E+00 0.1000000000E+01 0.1000000000E+01 10 0.8165722745E-01 0.1000000000E+01 0.1000000000E+01 D+ 1 0.2433238431E+03 0.1000000000E+01 0.1000000000E+01 2 0.7579631204E+02 0.1000000000E+01 0.1000000000E+01 3 0.2787053110E+02 0.1000000000E+01 0.1000000000E+01 4 0.1160691855E+02 0.1000000000E+01 0.1000000000E+01 5 0.5252957790E+01 0.1000000000E+01 0.1000000000E+01 6 0.2478831054E+01 0.1000000000E+01 0.1000000000E+01 7 0.1170271823E+01 0.1000000000E+01 0.1000000000E+01 8 0.5303519034E+00 0.1000000000E+01 0.1000000000E+01 9 0.2213705474E+00 0.1000000000E+01 0.1000000000E+01 10 0.8165722745E-01 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 3 2 2 0 0 OPEN SHELLS 1 0 0 1 1 NUMBER OF OPEN SHELL CONFG 5 CONF OPEN SHELL OCCUPATION NUMBERS 1 1.0 0.0 0.0 4.0 2.0 2 1.0 0.0 0.0 3.0 3.0 3 1.0 0.0 0.0 2.0 4.0 4 1.0 0.0 0.0 1.0 5.0 5 1.0 0.0 0.0 0.0 6.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -2.4245299E+02 -2.9375774E+01 -3.7199081E+00 -2.1792873E-01 ------------ ------------ ------------ ------------ 1 7.8810815E-06 -2.4135155E-06 8.8425835E-07 1.6975090E-07 2 2.5006333E-05 -7.6672875E-06 2.8099294E-06 5.3936925E-07 3 1.0227561E-04 -3.1430210E-05 1.1519096E-05 2.2115561E-06 4 3.8647128E-04 -1.1888828E-04 4.3590516E-05 8.3671220E-06 5 1.4291170E-03 -4.4105132E-04 1.6170794E-04 3.1050594E-05 6 4.9148886E-03 -1.5201241E-03 5.5776730E-04 1.0706121E-04 7 1.5497704E-02 -4.8422534E-03 1.7776864E-03 3.4144140E-04 8 4.3917679E-02 -1.3964268E-02 5.1413122E-03 9.8710611E-04 9 1.0907365E-01 -3.6394683E-02 1.3461725E-02 2.5885180E-03 10 2.2432530E-01 -8.2134357E-02 3.0762838E-02 5.9167417E-03 11 3.4188636E-01 -1.5381226E-01 5.8992602E-02 1.1400029E-02 12 3.0141165E-01 -1.8934460E-01 7.6276301E-02 1.4779276E-02 13 9.9857935E-02 -3.6444775E-02 1.5238173E-02 3.0647392E-03 14 5.5962060E-03 4.0554851E-01 -2.1374249E-01 -4.3160826E-02 15 9.8448205E-04 5.8563949E-01 -4.7753307E-01 -1.0105152E-01 16 -3.3774244E-04 1.6381933E-01 -7.4412406E-02 -1.3634157E-02 17 1.0105517E-04 3.8655719E-03 6.9008099E-01 1.8222470E-01 18 -8.0113689E-05 2.1968703E-03 5.2289913E-01 2.1987543E-01 19 3.0107452E-05 -3.9325796E-04 3.9827909E-02 9.2299253E-02 20 -1.1668380E-05 1.6894221E-04 2.2064724E-03 -5.1048318E-01 21 3.1156555E-06 -4.5371977E-05 -4.0954234E-04 -6.6131850E-01 22 3.1278197E-05 -9.5682439E-06 3.5047822E-06 6.7285631E-07 23 9.5805309E-05 -2.9279587E-05 1.0727474E-05 2.0589008E-06 24 2.7661599E-04 -8.4645609E-05 3.1004617E-05 5.9526067E-06 25 7.0534969E-04 -2.1564825E-04 7.9016025E-05 1.5164989E-05 26 1.6389284E-03 -5.0234543E-04 1.8402736E-04 3.5334025E-05 27 3.4909563E-03 -1.0715707E-03 3.9285220E-04 7.5396770E-05 28 6.8564951E-03 -2.1262439E-03 7.7989390E-04 1.4978131E-04 29 1.2338966E-02 -3.8943115E-03 1.4326015E-03 2.7502120E-04 30 1.9902636E-02 -6.5950611E-03 2.4374566E-03 4.6865064E-04 31 2.7164414E-02 -9.8819260E-03 3.6986237E-03 7.1130804E-04 32 2.7976733E-02 -1.2512492E-02 4.7960244E-03 9.2674120E-04 33 1.6888454E-02 -1.0555127E-02 4.2503922E-03 8.2351896E-04 34 3.8591679E-03 -1.4138331E-03 5.9230217E-04 1.1910616E-04 35 1.4942488E-04 1.0757565E-02 -5.6651967E-03 -1.1438632E-03 36 1.7960868E-05 1.0690863E-02 -8.7119758E-03 -1.8434659E-03 37 -4.1703447E-06 2.0338491E-03 -9.2435895E-04 -1.6946523E-04 38 8.2012766E-07 3.2028070E-05 5.7181446E-03 1.5098420E-03 39 -4.2356633E-07 1.1874645E-05 2.8238467E-03 1.1873234E-03 40 9.8213310E-08 -1.3441763E-06 1.3586454E-04 3.1482371E-04 41 -2.2318320E-08 3.5128369E-07 4.5737007E-06 -1.0587697E-03 42 3.1924600E-09 -5.4934238E-08 -4.9314373E-07 -7.9758592E-04 2P- 3P- -2.4991090E+01 -2.3743505E+00 ------------ ------------ 1 -1.4031879E-04 4.9964450E-05 2 -4.7448227E-04 1.6941138E-04 3 -2.5410261E-03 9.0763946E-04 4 -1.1851632E-02 4.2707512E-03 5 -4.5142388E-02 1.6474535E-02 6 -1.3051487E-01 4.9280661E-02 7 -2.6830060E-01 1.0521163E-01 8 -3.7350718E-01 1.5645389E-01 9 -2.8302600E-01 9.6094440E-02 10 -7.5397167E-02 -1.8783257E-01 11 -4.8520509E-03 -4.7664073E-01 12 -6.2838346E-04 -4.0825649E-01 13 -1.2692559E-04 -9.5729022E-02 14 -3.9854796E-05 1.4184221E-05 15 -1.6974056E-04 6.0663618E-05 16 -6.4875120E-04 2.3172093E-04 17 -1.9980881E-03 7.2008128E-04 18 -4.8821051E-03 1.7817254E-03 19 -9.3194278E-03 3.5191727E-03 20 -1.3003664E-02 5.1004484E-03 21 -1.2558170E-02 5.2621253E-03 22 -6.6518057E-03 2.2607220E-03 23 -1.2281486E-03 -3.0878039E-03 24 -4.4679373E-05 -5.3683084E-03 25 -1.7693241E-06 -3.0533870E-03 26 4.1450341E-06 -4.5487444E-04 2P+ 3P+ -2.4600634E+01 -2.3248446E+00 ------------ ------------ 1 2.7412358E-05 -9.7490006E-06 2 2.5851909E-04 -9.2380662E-05 3 1.9324478E-03 -6.8987763E-04 4 1.0572236E-02 -3.8082635E-03 5 4.2548472E-02 -1.5516986E-02 6 1.2651353E-01 -4.7726402E-02 7 2.6442239E-01 -1.0358418E-01 8 3.7379318E-01 -1.5653996E-01 9 2.8850159E-01 -1.0070691E-01 10 7.9112879E-02 1.7982009E-01 11 5.2209218E-03 4.7322410E-01 12 6.7015057E-04 4.1492635E-01 13 1.2719835E-04 1.0124169E-01 14 2.8552328E-05 -1.0143214E-05 15 1.4229305E-04 -5.0810100E-05 16 5.8581663E-04 -2.0895276E-04 17 1.8796364E-03 -6.7656044E-04 18 4.6988727E-03 -1.7123939E-03 19 9.1094250E-03 -3.4343129E-03 20 1.2874275E-02 -5.0406533E-03 21 1.2602074E-02 -5.2752014E-03 22 6.8051677E-03 -2.3751058E-03 23 1.3009671E-03 2.9545410E-03 24 5.8829262E-05 5.3287296E-03 25 5.0089457E-06 3.1030112E-03 26 6.0504719E-07 4.8058915E-04 3D- -3.5420185E-01 ------------ 1 -5.4579222E-04 2 -4.6851032E-03 3 -2.4019342E-02 4 -7.5995591E-02 5 -1.7090923E-01 6 -2.6181024E-01 7 -3.0323317E-01 8 -2.8797606E-01 9 -2.0660086E-01 10 -6.8978588E-02 11 -7.7960410E-05 12 -3.8860572E-04 13 -1.2177733E-03 14 -2.4946898E-03 15 -3.7779030E-03 16 -3.9776449E-03 17 -3.1659198E-03 18 -2.0242664E-03 19 -9.3826401E-04 20 -1.9024265E-04 3D+ -3.4984709E-01 ------------ 1 -5.0785776E-04 2 -4.5581187E-03 3 -2.3650602E-02 4 -7.5253226E-02 5 -1.6960681E-01 6 -2.6046203E-01 7 -3.0267138E-01 8 -2.8881401E-01 9 -2.0890426E-01 10 -7.1101205E-02 11 -7.5558262E-05 12 -3.8146001E-04 13 -1.2031727E-03 14 -2.4732594E-03 15 -3.7516573E-03 16 -3.9583842E-03 17 -3.1607202E-03 18 -2.0304048E-03 19 -9.4883752E-04 20 -1.9613809E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -2.4245299E+02 -2.9375774E+01 -3.7199081E+00 -2.1792873E-01 ------------ ------------ ------------ ------------ 1 -7.8816232E-06 -2.4136823E-06 8.8431957E-07 1.6976267E-07 2 -2.5007372E-05 -7.6676043E-06 2.8100454E-06 5.3939154E-07 3 -1.0227418E-04 -3.1429774E-05 1.1518937E-05 2.2115259E-06 4 -3.8647313E-04 -1.1888885E-04 4.3590722E-05 8.3671628E-06 5 -1.4291152E-03 -4.4105074E-04 1.6170773E-04 3.1050557E-05 6 -4.9148911E-03 -1.5201249E-03 5.5776757E-04 1.0706127E-04 7 -1.5497701E-02 -4.8422527E-03 1.7776861E-03 3.4144140E-04 8 -4.3917682E-02 -1.3964269E-02 5.1413126E-03 9.8710631E-04 9 -1.0907365E-01 -3.6394682E-02 1.3461725E-02 2.5885184E-03 10 -2.2432530E-01 -8.2134359E-02 3.0762839E-02 5.9167425E-03 11 -3.4188636E-01 -1.5381226E-01 5.8992602E-02 1.1400031E-02 12 -3.0141166E-01 -1.8934460E-01 7.6276301E-02 1.4779277E-02 13 -9.9857931E-02 -3.6444773E-02 1.5238172E-02 3.0647405E-03 14 -5.5962093E-03 4.0554851E-01 -2.1374249E-01 -4.3160835E-02 15 -9.8447954E-04 5.8563950E-01 -4.7753307E-01 -1.0105153E-01 16 3.3774070E-04 1.6381933E-01 -7.4412404E-02 -1.3634165E-02 17 -1.0105399E-04 3.8655684E-03 6.9008098E-01 1.8222473E-01 18 8.0113013E-05 2.1968730E-03 5.2289913E-01 2.1987542E-01 19 -3.0107157E-05 -3.9325883E-04 3.9827909E-02 9.2299334E-02 20 1.1668310E-05 1.6894087E-04 2.2064699E-03 -5.1048347E-01 21 -3.1156607E-06 -4.5371067E-05 -4.0954095E-04 -6.6131828E-01 22 -3.1334157E-05 -9.5853550E-06 3.5110505E-06 6.7405968E-07 23 -9.5782151E-05 -2.9272507E-05 1.0724881E-05 2.0584032E-06 24 -2.7662664E-04 -8.4648864E-05 3.1005809E-05 5.9528366E-06 25 -7.0534470E-04 -2.1564673E-04 7.9015466E-05 1.5164884E-05 26 -1.6389314E-03 -5.0234636E-04 1.8402770E-04 3.5334096E-05 27 -3.4909546E-03 -1.0715701E-03 3.9285201E-04 7.5396742E-05 28 -6.8564965E-03 -2.1262444E-03 7.7989405E-04 1.4978136E-04 29 -1.2338965E-02 -3.8943113E-03 1.4326014E-03 2.7502122E-04 30 -1.9902636E-02 -6.5950613E-03 2.4374567E-03 4.6865073E-04 31 -2.7164413E-02 -9.8819259E-03 3.6986236E-03 7.1130811E-04 32 -2.7976733E-02 -1.2512492E-02 4.7960245E-03 9.2674137E-04 33 -1.6888454E-02 -1.0555127E-02 4.2503922E-03 8.2351903E-04 34 -3.8591682E-03 -1.4138331E-03 5.9230218E-04 1.1910622E-04 35 -1.4942468E-04 1.0757565E-02 -5.6651967E-03 -1.1438634E-03 36 -1.7960997E-05 1.0690863E-02 -8.7119758E-03 -1.8434661E-03 37 4.1704207E-06 2.0338491E-03 -9.2435894E-04 -1.6946533E-04 38 -8.2016840E-07 3.2028026E-05 5.7181446E-03 1.5098423E-03 39 4.2358636E-07 1.1874668E-05 2.8238467E-03 1.1873234E-03 40 -9.8221944E-08 -1.3441844E-06 1.3586454E-04 3.1482398E-04 41 2.2321579E-08 3.5128314E-07 4.5736952E-06 -1.0587703E-03 42 -3.1933671E-09 -5.4933434E-08 -4.9314190E-07 -7.9758566E-04 2P- 3P- -2.4991090E+01 -2.3743505E+00 ------------ ------------ 1 -1.4031879E-04 4.9964450E-05 2 -4.7448227E-04 1.6941138E-04 3 -2.5410261E-03 9.0763946E-04 4 -1.1851632E-02 4.2707512E-03 5 -4.5142388E-02 1.6474535E-02 6 -1.3051487E-01 4.9280661E-02 7 -2.6830060E-01 1.0521163E-01 8 -3.7350718E-01 1.5645389E-01 9 -2.8302600E-01 9.6094440E-02 10 -7.5397167E-02 -1.8783257E-01 11 -4.8520510E-03 -4.7664073E-01 12 -6.2838342E-04 -4.0825649E-01 13 -1.2692561E-04 -9.5729022E-02 14 -3.9854796E-05 1.4184221E-05 15 -1.6974056E-04 6.0663618E-05 16 -6.4875120E-04 2.3172093E-04 17 -1.9980881E-03 7.2008128E-04 18 -4.8821051E-03 1.7817254E-03 19 -9.3194278E-03 3.5191727E-03 20 -1.3003664E-02 5.1004484E-03 21 -1.2558170E-02 5.2621253E-03 22 -6.6518057E-03 2.2607220E-03 23 -1.2281486E-03 -3.0878039E-03 24 -4.4679374E-05 -5.3683084E-03 25 -1.7693238E-06 -3.0533870E-03 26 4.1450340E-06 -4.5487444E-04 2P+ 3P+ -2.4600634E+01 -2.3248446E+00 ------------ ------------ 1 2.7412358E-05 -9.7490006E-06 2 2.5851909E-04 -9.2380662E-05 3 1.9324478E-03 -6.8987763E-04 4 1.0572236E-02 -3.8082635E-03 5 4.2548471E-02 -1.5516986E-02 6 1.2651353E-01 -4.7726402E-02 7 2.6442239E-01 -1.0358418E-01 8 3.7379318E-01 -1.5653996E-01 9 2.8850159E-01 -1.0070691E-01 10 7.9112879E-02 1.7982009E-01 11 5.2209217E-03 4.7322410E-01 12 6.7015061E-04 4.1492635E-01 13 1.2719836E-04 1.0124169E-01 14 2.8552328E-05 -1.0143213E-05 15 1.4229305E-04 -5.0810100E-05 16 5.8581663E-04 -2.0895276E-04 17 1.8796364E-03 -6.7656044E-04 18 4.6988727E-03 -1.7123939E-03 19 9.1094250E-03 -3.4343129E-03 20 1.2874275E-02 -5.0406533E-03 21 1.2602074E-02 -5.2752014E-03 22 6.8051677E-03 -2.3751058E-03 23 1.3009671E-03 2.9545410E-03 24 5.8829261E-05 5.3287296E-03 25 5.0089459E-06 3.1030112E-03 26 6.0504730E-07 4.8058916E-04 3D- -3.5420186E-01 ------------ 1 -5.4579221E-04 2 -4.6851032E-03 3 -2.4019342E-02 4 -7.5995590E-02 5 -1.7090923E-01 6 -2.6181024E-01 7 -3.0323317E-01 8 -2.8797606E-01 9 -2.0660086E-01 10 -6.8978587E-02 11 -7.7960409E-05 12 -3.8860572E-04 13 -1.2177733E-03 14 -2.4946898E-03 15 -3.7779030E-03 16 -3.9776449E-03 17 -3.1659198E-03 18 -2.0242664E-03 19 -9.3826401E-04 20 -1.9024265E-04 3D+ -3.4984709E-01 ------------ 1 -5.0785775E-04 2 -4.5581187E-03 3 -2.3650602E-02 4 -7.5253226E-02 5 -1.6960681E-01 6 -2.6046203E-01 7 -3.0267138E-01 8 -2.8881401E-01 9 -2.0890426E-01 10 -7.1101204E-02 11 -7.5558262E-05 12 -3.8146001E-04 13 -1.2031727E-03 14 -2.4732594E-03 15 -3.7516573E-03 16 -3.9583842E-03 17 -3.1607202E-03 18 -2.0304048E-03 19 -9.4883753E-04 20 -1.9613809E-04 ******************** IRON SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.2023710697E+08 0.1000000000E+01 0.1000000000E+01 2 0.3765837627E+07 0.1000000000E+01 0.1000000000E+01 3 0.8124714734E+06 0.1000000000E+01 0.1000000000E+01 4 0.2006738490E+06 0.1000000000E+01 0.1000000000E+01 5 0.5602892995E+05 0.1000000000E+01 0.1000000000E+01 6 0.1746125782E+05 0.1000000000E+01 0.1000000000E+01 7 0.5997677791E+04 0.1000000000E+01 0.1000000000E+01 8 0.2242011863E+04 0.1000000000E+01 0.1000000000E+01 9 0.9006221243E+03 0.1000000000E+01 0.1000000000E+01 10 0.3838839961E+03 0.1000000000E+01 0.1000000000E+01 11 0.1714402744E+03 0.1000000000E+01 0.1000000000E+01 12 0.7921071080E+02 0.1000000000E+01 0.1000000000E+01 13 0.3738659720E+02 0.1000000000E+01 0.1000000000E+01 14 0.1779965969E+02 0.1000000000E+01 0.1000000000E+01 15 0.8440612276E+01 0.1000000000E+01 0.1000000000E+01 16 0.3936456492E+01 0.1000000000E+01 0.1000000000E+01 17 0.1782826057E+01 0.1000000000E+01 0.1000000000E+01 18 0.7742607841E+00 0.1000000000E+01 0.1000000000E+01 19 0.3183780267E+00 0.1000000000E+01 0.1000000000E+01 20 0.1223993761E+00 0.1000000000E+01 0.1000000000E+01 21 0.4344085610E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.2828520028E+05 0.1000000000E+01 0.1000000000E+01 2 0.6195586774E+04 0.1000000000E+01 0.1000000000E+01 3 0.1674435613E+04 0.1000000000E+01 0.1000000000E+01 4 0.5411784202E+03 0.1000000000E+01 0.1000000000E+01 5 0.2027317113E+03 0.1000000000E+01 0.1000000000E+01 6 0.8531694325E+02 0.1000000000E+01 0.1000000000E+01 7 0.3909349157E+02 0.1000000000E+01 0.1000000000E+01 8 0.1890394278E+02 0.1000000000E+01 0.1000000000E+01 9 0.9349799015E+01 0.1000000000E+01 0.1000000000E+01 10 0.4584344982E+01 0.1000000000E+01 0.1000000000E+01 11 0.2159735819E+01 0.1000000000E+01 0.1000000000E+01 12 0.9475354796E+00 0.1000000000E+01 0.1000000000E+01 13 0.3752191784E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.2828520028E+05 0.1000000000E+01 0.1000000000E+01 2 0.6195586774E+04 0.1000000000E+01 0.1000000000E+01 3 0.1674435613E+04 0.1000000000E+01 0.1000000000E+01 4 0.5411784202E+03 0.1000000000E+01 0.1000000000E+01 5 0.2027317113E+03 0.1000000000E+01 0.1000000000E+01 6 0.8531694325E+02 0.1000000000E+01 0.1000000000E+01 7 0.3909349157E+02 0.1000000000E+01 0.1000000000E+01 8 0.1890394278E+02 0.1000000000E+01 0.1000000000E+01 9 0.9349799015E+01 0.1000000000E+01 0.1000000000E+01 10 0.4584344982E+01 0.1000000000E+01 0.1000000000E+01 11 0.2159735819E+01 0.1000000000E+01 0.1000000000E+01 12 0.9475354796E+00 0.1000000000E+01 0.1000000000E+01 13 0.3752191784E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.3194775408E+03 0.1000000000E+01 0.1000000000E+01 2 0.9778159372E+02 0.1000000000E+01 0.1000000000E+01 3 0.3573014347E+02 0.1000000000E+01 0.1000000000E+01 4 0.1493886511E+02 0.1000000000E+01 0.1000000000E+01 5 0.6849359735E+01 0.1000000000E+01 0.1000000000E+01 6 0.3300473109E+01 0.1000000000E+01 0.1000000000E+01 7 0.1601919176E+01 0.1000000000E+01 0.1000000000E+01 8 0.7505636161E+00 0.1000000000E+01 0.1000000000E+01 9 0.3253578201E+00 0.1000000000E+01 0.1000000000E+01 10 0.1250564662E+00 0.1000000000E+01 0.1000000000E+01 D+ 1 0.3194775408E+03 0.1000000000E+01 0.1000000000E+01 2 0.9778159372E+02 0.1000000000E+01 0.1000000000E+01 3 0.3573014347E+02 0.1000000000E+01 0.1000000000E+01 4 0.1493886511E+02 0.1000000000E+01 0.1000000000E+01 5 0.6849359735E+01 0.1000000000E+01 0.1000000000E+01 6 0.3300473109E+01 0.1000000000E+01 0.1000000000E+01 7 0.1601919176E+01 0.1000000000E+01 0.1000000000E+01 8 0.7505636161E+00 0.1000000000E+01 0.1000000000E+01 9 0.3253578201E+00 0.1000000000E+01 0.1000000000E+01 10 0.1250564662E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 4 2 2 0 0 OPEN SHELLS 0 0 0 1 1 NUMBER OF OPEN SHELL CONFG 5 CONF OPEN SHELL OCCUPATION NUMBERS 1 0.0 0.0 0.0 4.0 2.0 2 0.0 0.0 0.0 3.0 3.0 3 0.0 0.0 0.0 2.0 4.0 4 0.0 0.0 0.0 1.0 5.0 5 0.0 0.0 0.0 0.0 6.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -2.6383018E+02 -3.2475750E+01 -4.2695458E+00 -2.6365313E-01 ------------ ------------ ------------ ------------ 1 -8.1176917E-06 2.5027876E-06 -9.3009511E-07 -2.0197858E-07 2 -2.5555043E-05 7.8891211E-06 -2.9319270E-06 -6.3673504E-07 3 -1.0318204E-04 3.1927341E-05 -1.1870594E-05 -2.5778895E-06 4 -3.8693649E-04 1.1988019E-04 -4.4568750E-05 -9.6798706E-06 5 -1.4318494E-03 4.4506603E-04 -1.6557492E-04 -3.5958646E-05 6 -4.9646409E-03 1.5469039E-03 -5.7544515E-04 -1.2499556E-04 7 -1.5856418E-02 4.9910004E-03 -1.8597045E-03 -4.0394137E-04 8 -4.5578530E-02 1.4611370E-02 -5.4531531E-03 -1.1850810E-03 9 -1.1447748E-01 3.8571448E-02 -1.4492005E-02 -3.1508442E-03 10 -2.3579926E-01 8.7687561E-02 -3.3310891E-02 -7.2565367E-03 11 -3.5183476E-01 1.6266721E-01 -6.3628159E-02 -1.3902661E-02 12 -2.9043011E-01 1.8950023E-01 -7.7590706E-02 -1.7076760E-02 13 -8.3679212E-02 3.3877060E-03 -1.6455392E-03 -3.5594224E-04 14 -3.8506852E-03 -4.5697652E-01 2.5682131E-01 5.8916745E-02 15 -6.4568249E-04 -5.5362092E-01 4.8035851E-01 1.1679843E-01 16 1.8701044E-04 -1.2681462E-01 -7.6757231E-03 -7.3618030E-03 17 -1.4668467E-05 -4.9562580E-03 -7.1539066E-01 -2.1813406E-01 18 3.2845440E-05 -6.8979539E-04 -4.7412806E-01 -2.6713106E-01 19 -9.8939419E-06 -2.1900463E-04 -2.5478921E-02 -1.6655819E-02 20 3.8678755E-06 8.1496299E-05 -3.0616994E-03 5.9995324E-01 21 -9.8992071E-07 -2.3532394E-05 9.1671841E-04 5.5426352E-01 22 -3.1273859E-05 9.6316144E-06 -3.5791529E-06 -7.7720658E-07 23 -9.7173789E-05 2.9899892E-05 -1.1106943E-05 -2.4120836E-06 24 -2.8186250E-04 8.6832845E-05 -3.2269735E-05 -7.0072411E-06 25 -7.2408962E-04 2.2288718E-04 -8.2797884E-05 -1.7981444E-05 26 -1.6979900E-03 5.2394288E-04 -1.9475791E-04 -4.2291224E-05 27 -3.6553407E-03 1.1297205E-03 -4.1984567E-04 -9.1186760E-05 28 -7.2588029E-03 2.2662874E-03 -8.4365628E-04 -1.8322480E-04 29 -1.3193017E-02 4.1955153E-03 -1.5643509E-03 -3.3992662E-04 30 -2.1401952E-02 7.1571792E-03 -2.6867948E-03 -5.8409546E-04 31 -2.9086352E-02 1.0741187E-02 -4.0772098E-03 -8.8810604E-04 32 -2.9171580E-02 1.3401712E-02 -5.2386825E-03 -1.1445459E-03 33 -1.6417113E-02 1.0653983E-02 -4.3605024E-03 -9.5964741E-04 34 -3.2532475E-03 1.4654633E-04 -7.2100028E-05 -1.5683874E-05 35 -1.0339763E-04 -1.2179789E-02 6.8393243E-03 1.5688284E-03 36 -1.1791566E-05 -1.0170618E-02 8.8188289E-03 2.1441788E-03 37 2.2922299E-06 -1.5913055E-03 -9.4964608E-05 -9.1891226E-05 38 -8.9641264E-08 -4.1862614E-05 -6.0367918E-03 -1.8405620E-03 39 1.6553386E-07 -3.8254990E-06 -2.6367581E-03 -1.4854646E-03 40 -2.7236578E-08 -7.8711075E-07 -9.0871272E-05 -5.9407546E-05 41 5.2684010E-09 1.8265635E-07 -6.7671513E-06 1.3264869E-03 42 -3.5067382E-10 -3.1693547E-08 1.2067902E-06 7.3006746E-04 2P- 3P- -2.7848831E+01 -2.8154311E+00 ------------ ------------ 1 1.3451255E-04 4.8857023E-05 2 4.7064121E-04 1.7139654E-04 3 2.5254791E-03 9.2017130E-04 4 1.1985619E-02 4.4067659E-03 5 4.5817041E-02 1.7063824E-02 6 1.3123013E-01 5.0615450E-02 7 2.6629449E-01 1.0667692E-01 8 3.6828689E-01 1.5771987E-01 9 2.8323578E-01 9.8498811E-02 10 7.9671413E-02 -1.8142351E-01 11 5.3874496E-03 -4.8390860E-01 12 7.0012334E-04 -4.1558900E-01 13 6.8719991E-05 -8.4818429E-02 14 3.7677406E-05 1.3677325E-05 15 1.7034515E-04 6.2107930E-05 16 6.7226937E-04 2.4493458E-04 17 2.1073087E-03 7.7489233E-04 18 5.1618600E-03 1.9224668E-03 19 9.7671378E-03 3.7675382E-03 20 1.3501730E-02 5.4101130E-03 21 1.3023649E-02 5.5795158E-03 22 7.0415486E-03 2.4514914E-03 23 1.3788523E-03 -3.1701412E-03 24 5.3007272E-05 -5.8032517E-03 25 1.8966212E-06 -3.3009873E-03 26 -5.1350696E-06 -4.2443026E-04 2P+ 3P+ -2.7382487E+01 -2.7548134E+00 ------------ ------------ 1 2.2610919E-05 -8.2036255E-06 2 2.3568923E-04 -8.5940429E-05 3 1.8692481E-03 -6.8082948E-04 4 1.0571975E-02 -3.8863243E-03 5 4.2976345E-02 -1.5997374E-02 6 1.2687618E-01 -4.8898317E-02 7 2.6214359E-01 -1.0492406E-01 8 3.6854085E-01 -1.5782438E-01 9 2.8905126E-01 -1.0351819E-01 10 8.3804555E-02 1.7275723E-01 11 5.8492078E-03 4.8005183E-01 12 7.4150185E-04 4.2333930E-01 13 6.8448659E-05 9.0286934E-02 14 2.5826150E-05 -9.3585162E-06 15 1.3974329E-04 -5.0914091E-05 16 6.0080744E-04 -2.1861858E-04 17 1.9712941E-03 -7.2405513E-04 18 4.9522495E-03 -1.8419339E-03 19 9.5295359E-03 -3.6701479E-03 20 1.3357094E-02 -5.3430725E-03 21 1.3071853E-02 -5.5950999E-03 22 7.2143291E-03 -2.5832186E-03 23 1.4648665E-03 3.0168322E-03 24 7.0181541E-05 5.7557344E-03 25 5.8863991E-06 3.3622153E-03 26 3.4331652E-07 4.5124707E-04 3D- -5.9733605E-01 ------------ 1 4.2908903E-04 2 3.8559404E-03 3 2.0997756E-02 4 6.8573002E-02 5 1.5931941E-01 6 2.5678009E-01 7 3.0902735E-01 8 2.9670831E-01 9 1.9595079E-01 10 5.3843571E-02 11 6.9177694E-05 12 3.6180506E-04 13 1.2035816E-03 14 2.5523240E-03 15 4.0203080E-03 16 4.5009975E-03 17 3.7745699E-03 18 2.4810393E-03 19 1.0787994E-03 20 1.8373824E-04 3D+ -5.9135155E-01 ------------ 1 -3.9273500E-04 2 -3.7335481E-03 3 -2.0639300E-02 4 -6.7883174E-02 5 -1.5814172E-01 6 -2.5553185E-01 7 -3.0853124E-01 8 -2.9762964E-01 9 -1.9806246E-01 10 -5.5279837E-02 11 -6.6762142E-05 12 -3.5446880E-04 13 -1.1882584E-03 14 -2.5305075E-03 15 -3.9939928E-03 16 -4.4809303E-03 17 -3.7695142E-03 18 -2.4891566E-03 19 -1.0906094E-03 20 -1.8871665E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -2.6383018E+02 -3.2475750E+01 -4.2695458E+00 -2.6365313E-01 ------------ ------------ ------------ ------------ 1 8.1186026E-06 2.5030698E-06 -9.3019998E-07 -2.0200136E-07 2 2.5556220E-05 7.8894819E-06 -2.9320611E-06 -6.3676414E-07 3 1.0318035E-04 3.1926822E-05 -1.1870401E-05 -2.5778476E-06 4 3.8693872E-04 1.1988087E-04 -4.4569006E-05 -9.6799261E-06 5 1.4318472E-03 4.4506534E-04 -1.6557466E-04 -3.5958590E-05 6 4.9646439E-03 1.5469048E-03 -5.7544549E-04 -1.2499563E-04 7 1.5856415E-02 4.9909995E-03 -1.8597042E-03 -4.0394130E-04 8 4.5578534E-02 1.4611371E-02 -5.4531535E-03 -1.1850811E-03 9 1.1447747E-01 3.8571447E-02 -1.4492005E-02 -3.1508441E-03 10 2.3579927E-01 8.7687563E-02 -3.3310891E-02 -7.2565369E-03 11 3.5183475E-01 1.6266721E-01 -6.3628159E-02 -1.3902660E-02 12 2.9043011E-01 1.8950023E-01 -7.7590706E-02 -1.7076760E-02 13 8.3679206E-02 3.3876993E-03 -1.6455386E-03 -3.5594192E-04 14 3.8506887E-03 -4.5697652E-01 2.5682131E-01 5.8916745E-02 15 6.4568002E-04 -5.5362092E-01 4.8035851E-01 1.1679843E-01 16 -1.8700889E-04 -1.2681462E-01 -7.6757235E-03 -7.3618037E-03 17 1.4667591E-05 -4.9562596E-03 -7.1539067E-01 -2.1813406E-01 18 -3.2844993E-05 -6.8979414E-04 -4.7412806E-01 -2.6713106E-01 19 9.8937311E-06 -2.1900463E-04 -2.5478920E-02 -1.6655817E-02 20 -3.8677927E-06 8.1496260E-05 -3.0616996E-03 5.9995324E-01 21 9.8989229E-07 -2.3531623E-05 9.1671960E-04 5.5426352E-01 22 3.1346806E-05 9.6540707E-06 -3.5874964E-06 -7.7901844E-07 23 9.7143813E-05 2.9890665E-05 -1.1103515E-05 -2.4113392E-06 24 2.8187622E-04 8.6837067E-05 -3.2271303E-05 -7.0075817E-06 25 7.2408330E-04 2.2288523E-04 -8.2797162E-05 -1.7981287E-05 26 1.6979939E-03 5.2394406E-04 -1.9475835E-04 -4.2291319E-05 27 3.6553386E-03 1.1297198E-03 -4.1984543E-04 -9.1186709E-05 28 7.2588045E-03 2.2662879E-03 -8.4365646E-04 -1.8322484E-04 29 1.3193016E-02 4.1955150E-03 -1.5643508E-03 -3.3992660E-04 30 2.1401953E-02 7.1571795E-03 -2.6867949E-03 -5.8409549E-04 31 2.9086351E-02 1.0741186E-02 -4.0772098E-03 -8.8810603E-04 32 2.9171581E-02 1.3401713E-02 -5.2386826E-03 -1.1445459E-03 33 1.6417113E-02 1.0653983E-02 -4.3605023E-03 -9.5964741E-04 34 3.2532478E-03 1.4654623E-04 -7.2100063E-05 -1.5683875E-05 35 1.0339738E-04 -1.2179789E-02 6.8393244E-03 1.5688284E-03 36 1.1791736E-05 -1.0170618E-02 8.8188288E-03 2.1441788E-03 37 -2.2923344E-06 -1.5913055E-03 -9.4964600E-05 -9.1891232E-05 38 8.9699837E-08 -4.1862604E-05 -6.0367918E-03 -1.8405620E-03 39 -1.6556398E-07 -3.8255051E-06 -2.6367581E-03 -1.4854646E-03 40 2.7250629E-08 -7.8710368E-07 -9.0871271E-05 -5.9407538E-05 41 -5.2741587E-09 1.8265311E-07 -6.7671512E-06 1.3264869E-03 42 3.5237285E-10 -3.1692084E-08 1.2067916E-06 7.3006746E-04 2P- 3P- -2.7848831E+01 -2.8154311E+00 ------------ ------------ 1 1.3451255E-04 4.8857024E-05 2 4.7064121E-04 1.7139654E-04 3 2.5254791E-03 9.2017130E-04 4 1.1985619E-02 4.4067659E-03 5 4.5817041E-02 1.7063824E-02 6 1.3123013E-01 5.0615450E-02 7 2.6629449E-01 1.0667692E-01 8 3.6828689E-01 1.5771987E-01 9 2.8323578E-01 9.8498811E-02 10 7.9671413E-02 -1.8142351E-01 11 5.3874494E-03 -4.8390860E-01 12 7.0012344E-04 -4.1558900E-01 13 6.8720021E-05 -8.4818429E-02 14 3.7677405E-05 1.3677325E-05 15 1.7034515E-04 6.2107930E-05 16 6.7226937E-04 2.4493458E-04 17 2.1073087E-03 7.7489233E-04 18 5.1618600E-03 1.9224668E-03 19 9.7671378E-03 3.7675382E-03 20 1.3501730E-02 5.4101130E-03 21 1.3023649E-02 5.5795158E-03 22 7.0415486E-03 2.4514914E-03 23 1.3788523E-03 -3.1701412E-03 24 5.3007270E-05 -5.8032517E-03 25 1.8966220E-06 -3.3009873E-03 26 -5.1350694E-06 -4.2443026E-04 2P+ 3P+ -2.7382487E+01 -2.7548134E+00 ------------ ------------ 1 2.2610919E-05 -8.2036255E-06 2 2.3568923E-04 -8.5940429E-05 3 1.8692481E-03 -6.8082948E-04 4 1.0571975E-02 -3.8863243E-03 5 4.2976345E-02 -1.5997374E-02 6 1.2687618E-01 -4.8898317E-02 7 2.6214359E-01 -1.0492406E-01 8 3.6854085E-01 -1.5782438E-01 9 2.8905126E-01 -1.0351819E-01 10 8.3804555E-02 1.7275723E-01 11 5.8492079E-03 4.8005183E-01 12 7.4150184E-04 4.2333930E-01 13 6.8448662E-05 9.0286933E-02 14 2.5826150E-05 -9.3585161E-06 15 1.3974329E-04 -5.0914091E-05 16 6.0080744E-04 -2.1861858E-04 17 1.9712941E-03 -7.2405513E-04 18 4.9522495E-03 -1.8419339E-03 19 9.5295359E-03 -3.6701479E-03 20 1.3357094E-02 -5.3430725E-03 21 1.3071853E-02 -5.5950999E-03 22 7.2143291E-03 -2.5832186E-03 23 1.4648665E-03 3.0168322E-03 24 7.0181541E-05 5.7557343E-03 25 5.8863990E-06 3.3622153E-03 26 3.4331654E-07 4.5124707E-04 3D- -5.9733604E-01 ------------ 1 4.2908903E-04 2 3.8559404E-03 3 2.0997756E-02 4 6.8573002E-02 5 1.5931941E-01 6 2.5678009E-01 7 3.0902735E-01 8 2.9670831E-01 9 1.9595079E-01 10 5.3843571E-02 11 6.9177694E-05 12 3.6180506E-04 13 1.2035816E-03 14 2.5523240E-03 15 4.0203080E-03 16 4.5009975E-03 17 3.7745699E-03 18 2.4810393E-03 19 1.0787994E-03 20 1.8373824E-04 3D+ -5.9135155E-01 ------------ 1 -3.9273500E-04 2 -3.7335481E-03 3 -2.0639300E-02 4 -6.7883174E-02 5 -1.5814172E-01 6 -2.5553185E-01 7 -3.0853124E-01 8 -2.9762964E-01 9 -1.9806246E-01 10 -5.5279837E-02 11 -6.6762142E-05 12 -3.5446880E-04 13 -1.1882584E-03 14 -2.5305075E-03 15 -3.9939928E-03 16 -4.4809303E-03 17 -3.7695142E-03 18 -2.4891566E-03 19 -1.0906094E-03 20 -1.8871665E-04 ____________________ SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1810495732E+08 0.1000000000E+01 0.1000000000E+01 2 0.3405804856E+07 0.1000000000E+01 0.1000000000E+01 3 0.7440208332E+06 0.1000000000E+01 0.1000000000E+01 4 0.1862916137E+06 0.1000000000E+01 0.1000000000E+01 5 0.5276478551E+05 0.1000000000E+01 0.1000000000E+01 6 0.1668543389E+05 0.1000000000E+01 0.1000000000E+01 7 0.5813973910E+04 0.1000000000E+01 0.1000000000E+01 8 0.2203183602E+04 0.1000000000E+01 0.1000000000E+01 9 0.8961281741E+03 0.1000000000E+01 0.1000000000E+01 10 0.3861279092E+03 0.1000000000E+01 0.1000000000E+01 11 0.1739536986E+03 0.1000000000E+01 0.1000000000E+01 12 0.8086811953E+02 0.1000000000E+01 0.1000000000E+01 13 0.3828794136E+02 0.1000000000E+01 0.1000000000E+01 14 0.1822164050E+02 0.1000000000E+01 0.1000000000E+01 15 0.8603071042E+01 0.1000000000E+01 0.1000000000E+01 16 0.3977039580E+01 0.1000000000E+01 0.1000000000E+01 17 0.1776668806E+01 0.1000000000E+01 0.1000000000E+01 18 0.7569949685E+00 0.1000000000E+01 0.1000000000E+01 19 0.3036122228E+00 0.1000000000E+01 0.1000000000E+01 20 0.1131318904E+00 0.1000000000E+01 0.1000000000E+01 21 0.3865361904E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.2640939689E+05 0.1000000000E+01 0.1000000000E+01 2 0.5946635945E+04 0.1000000000E+01 0.1000000000E+01 3 0.1639314127E+04 0.1000000000E+01 0.1000000000E+01 4 0.5368288617E+03 0.1000000000E+01 0.1000000000E+01 5 0.2026269755E+03 0.1000000000E+01 0.1000000000E+01 6 0.8553646167E+02 0.1000000000E+01 0.1000000000E+01 7 0.3918346140E+02 0.1000000000E+01 0.1000000000E+01 8 0.1889977775E+02 0.1000000000E+01 0.1000000000E+01 9 0.9313606019E+01 0.1000000000E+01 0.1000000000E+01 10 0.4549788181E+01 0.1000000000E+01 0.1000000000E+01 11 0.2137871158E+01 0.1000000000E+01 0.1000000000E+01 12 0.9375486155E+00 0.1000000000E+01 0.1000000000E+01 13 0.3723341475E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.2640939689E+05 0.1000000000E+01 0.1000000000E+01 2 0.5946635945E+04 0.1000000000E+01 0.1000000000E+01 3 0.1639314127E+04 0.1000000000E+01 0.1000000000E+01 4 0.5368288617E+03 0.1000000000E+01 0.1000000000E+01 5 0.2026269755E+03 0.1000000000E+01 0.1000000000E+01 6 0.8553646167E+02 0.1000000000E+01 0.1000000000E+01 7 0.3918346140E+02 0.1000000000E+01 0.1000000000E+01 8 0.1889977775E+02 0.1000000000E+01 0.1000000000E+01 9 0.9313606019E+01 0.1000000000E+01 0.1000000000E+01 10 0.4549788181E+01 0.1000000000E+01 0.1000000000E+01 11 0.2137871158E+01 0.1000000000E+01 0.1000000000E+01 12 0.9375486155E+00 0.1000000000E+01 0.1000000000E+01 13 0.3723341475E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.2654543806E+03 0.1000000000E+01 0.1000000000E+01 2 0.8473804319E+02 0.1000000000E+01 0.1000000000E+01 3 0.3163606712E+02 0.1000000000E+01 0.1000000000E+01 4 0.1327715654E+02 0.1000000000E+01 0.1000000000E+01 5 0.6020730666E+01 0.1000000000E+01 0.1000000000E+01 6 0.2835423059E+01 0.1000000000E+01 0.1000000000E+01 7 0.1332950691E+01 0.1000000000E+01 0.1000000000E+01 8 0.6012302975E+00 0.1000000000E+01 0.1000000000E+01 9 0.2500928033E+00 0.1000000000E+01 0.1000000000E+01 10 0.9221426338E-01 0.1000000000E+01 0.1000000000E+01 D+ 1 0.2654543806E+03 0.1000000000E+01 0.1000000000E+01 2 0.8473804319E+02 0.1000000000E+01 0.1000000000E+01 3 0.3163606712E+02 0.1000000000E+01 0.1000000000E+01 4 0.1327715654E+02 0.1000000000E+01 0.1000000000E+01 5 0.6020730666E+01 0.1000000000E+01 0.1000000000E+01 6 0.2835423059E+01 0.1000000000E+01 0.1000000000E+01 7 0.1332950691E+01 0.1000000000E+01 0.1000000000E+01 8 0.6012302975E+00 0.1000000000E+01 0.1000000000E+01 9 0.2500928033E+00 0.1000000000E+01 0.1000000000E+01 10 0.9221426338E-01 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 3 2 2 0 0 OPEN SHELLS 1 0 0 1 1 NUMBER OF OPEN SHELL CONFG 4 CONF OPEN SHELL OCCUPATION NUMBERS 1 1.0 0.0 0.0 4.0 3.0 2 1.0 0.0 0.0 3.0 4.0 3 1.0 0.0 0.0 2.0 5.0 4 1.0 0.0 0.0 1.0 6.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -2.6363177E+02 -3.2253284E+01 -4.0608102E+00 -2.2483814E-01 ------------ ------------ ------------ ------------ 1 -8.9427073E-06 2.7574068E-06 -1.0178138E-06 1.9120644E-07 2 -2.7693015E-05 8.5499592E-06 -3.1565278E-06 5.9293196E-07 3 -1.1155847E-04 3.4525130E-05 -1.2749238E-05 2.3953295E-06 4 -4.1427061E-04 1.2835737E-04 -4.7408201E-05 8.9052329E-06 5 -1.5137616E-03 4.7063307E-04 -1.7388282E-04 3.2673655E-05 6 -5.1650471E-03 1.6095507E-03 -5.9489512E-04 1.1174588E-04 7 -1.6217156E-02 5.1073471E-03 -1.8898190E-03 3.5521058E-04 8 -4.5843266E-02 1.4702034E-02 -5.4526440E-03 1.0245227E-03 9 -1.1353795E-01 3.8279792E-02 -1.4279475E-02 2.6871065E-03 10 -2.3192403E-01 8.6132305E-02 -3.2517890E-02 6.1215131E-03 11 -3.4713086E-01 1.5971655E-01 -6.1943892E-02 1.1717692E-02 12 -2.9318936E-01 1.8927025E-01 -7.7016103E-02 1.4611306E-02 13 -8.8977947E-02 1.4649273E-02 -6.2000505E-03 1.2715519E-03 14 -4.2628890E-03 -4.4481647E-01 2.4474924E-01 -4.8561682E-02 15 -7.9422409E-04 -5.6551700E-01 4.8239990E-01 -1.0030845E-01 16 2.6770614E-04 -1.3410728E-01 1.9583864E-03 3.2246319E-03 17 -6.1352738E-05 -4.1971821E-03 -7.1453961E-01 1.8725404E-01 18 5.6080554E-05 -1.1415383E-03 -4.7425100E-01 2.0878393E-01 19 -2.0349756E-05 -2.9549841E-05 -2.8646997E-02 6.8936920E-02 20 7.8734728E-06 1.6631151E-06 -2.9428519E-03 -4.9944706E-01 21 -2.1159124E-06 5.1490261E-08 6.0160930E-04 -6.5912979E-01 22 -3.4285111E-05 1.0559531E-05 -3.8971324E-06 7.3216034E-07 23 -1.0392733E-04 3.1976643E-05 -1.1800822E-05 2.2164301E-06 24 -2.9828993E-04 9.1901722E-05 -3.3918517E-05 6.3726058E-06 25 -7.5697737E-04 2.3300379E-04 -8.5993726E-05 1.6150961E-05 26 -1.7536955E-03 5.4123762E-04 -1.9979512E-04 3.7540025E-05 27 -3.7292891E-03 1.1526925E-03 -4.2563640E-04 7.9941077E-05 28 -7.3189669E-03 2.2863440E-03 -8.4518772E-04 1.5884578E-04 29 -1.3160327E-02 4.1867718E-03 -1.5513426E-03 2.9145315E-04 30 -2.1174897E-02 7.0859041E-03 -2.6409776E-03 4.9693010E-04 31 -2.8690296E-02 1.0580833E-02 -3.9915505E-03 7.5133889E-04 32 -2.8989502E-02 1.3253529E-02 -5.1367661E-03 9.7162648E-04 33 -1.6744691E-02 1.0750797E-02 -4.3728101E-03 8.2956130E-04 34 -3.5006665E-03 5.8840649E-04 -2.5070733E-04 5.1333280E-05 35 -1.1579270E-04 -1.1994780E-02 6.5942233E-03 -1.3082596E-03 36 -1.4687399E-05 -1.0488513E-02 8.9409893E-03 -1.8590670E-03 37 3.3368624E-06 -1.6914893E-03 2.5973378E-05 4.0285815E-05 38 -4.9071393E-07 -3.5380178E-05 -6.0192015E-03 1.5772852E-03 39 2.9514802E-07 -6.2736919E-06 -2.6078567E-03 1.1479910E-03 40 -6.4586881E-08 -1.0602568E-07 -9.9772002E-05 2.4006236E-04 41 1.4154825E-08 4.8489343E-09 -6.2528490E-06 -1.0616398E-03 42 -1.8666667E-09 -3.2219672E-10 7.4669556E-07 -8.1896090E-04 2P- 3P- -2.7631023E+01 -2.6229455E+00 ------------ ------------ 1 1.4226227E-04 5.1238219E-05 2 4.8493985E-04 1.7509091E-04 3 2.5733106E-03 9.2988680E-04 4 1.2017432E-02 4.3803827E-03 5 4.5605456E-02 1.6844959E-02 6 1.3066122E-01 4.9942143E-02 7 2.6641686E-01 1.0585330E-01 8 3.6998969E-01 1.5687918E-01 9 2.8361259E-01 9.7537539E-02 10 7.8335771E-02 -1.8448245E-01 11 5.2364892E-03 -4.7751742E-01 12 7.2738049E-04 -4.1230568E-01 13 1.3029230E-04 -9.4964653E-02 14 4.0023238E-05 1.4410976E-05 15 1.7550440E-04 6.3430844E-05 16 6.7991238E-04 2.4569386E-04 17 2.1061597E-03 7.6777970E-04 18 5.1363712E-03 1.8972167E-03 19 9.7372951E-03 3.7221767E-03 20 1.3523085E-02 5.3743825E-03 21 1.3082556E-02 5.5492041E-03 22 7.0371032E-03 2.4228134E-03 23 1.3503811E-03 -3.2113870E-03 24 5.0914263E-05 -5.6975702E-03 25 2.1432968E-06 -3.2575886E-03 26 -4.8033523E-06 -4.7330603E-04 2P+ 3P+ -2.7164320E+01 -2.5627850E+00 ------------ ------------ 1 -2.4955191E-05 8.9783406E-06 2 -2.4830838E-04 8.9720083E-05 3 -1.9117098E-03 6.9037941E-04 4 -1.0610633E-02 3.8655649E-03 5 -4.2775563E-02 1.5786228E-02 6 -1.2632233E-01 4.8230580E-02 7 -2.6224799E-01 1.0407143E-01 8 -3.7025507E-01 1.5694218E-01 9 -2.8947145E-01 1.0251776E-01 10 -8.2433548E-02 -1.7576950E-01 11 -5.6743085E-03 -4.7366344E-01 12 -7.7139362E-04 -4.1965504E-01 13 -1.3241937E-04 -1.0094814E-01 14 -2.7691597E-05 9.9511672E-06 15 -1.4450771E-04 5.2170954E-05 16 -6.0826365E-04 2.1945353E-04 17 -1.9707512E-03 7.1736463E-04 18 -4.9278439E-03 1.8171599E-03 19 -9.5000437E-03 3.6246473E-03 20 -1.3377721E-02 5.3057307E-03 21 -1.3131224E-02 5.5632219E-03 22 -7.2108304E-03 2.5533137E-03 23 -1.4354635E-03 -3.0578803E-03 24 -6.7736687E-05 -5.6503330E-03 25 -6.0917416E-06 -3.3153326E-03 26 -6.6052239E-07 -5.0258444E-04 3D- -3.8879185E-01 ------------ 1 -5.7269701E-04 2 -4.6583905E-03 3 -2.3774377E-02 4 -7.5906928E-02 5 -1.7254608E-01 6 -2.6614467E-01 7 -3.0639178E-01 8 -2.8616291E-01 9 -2.0072803E-01 10 -6.6462215E-02 11 -8.5008606E-05 12 -4.0796559E-04 13 -1.2832501E-03 14 -2.6643323E-03 15 -4.0827714E-03 16 -4.3243257E-03 17 -3.4138830E-03 18 -2.1416792E-03 19 -9.6890778E-04 20 -1.9478442E-04 3D+ -3.8276989E-01 ------------ 1 5.2914711E-04 2 4.5183383E-03 3 2.3361073E-02 4 7.5067026E-02 5 1.7106568E-01 6 2.6459969E-01 7 3.0574418E-01 8 2.8714108E-01 9 2.0339978E-01 10 6.8952506E-02 11 8.2132116E-05 12 3.9961267E-04 13 1.2658618E-03 14 2.6384082E-03 15 4.0508740E-03 16 4.3007472E-03 17 3.4074940E-03 18 2.1493048E-03 19 9.8194170E-04 20 2.0213303E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -2.6363177E+02 -3.2253284E+01 -4.0608102E+00 -2.2483814E-01 ------------ ------------ ------------ ------------ 1 -8.9433314E-06 2.7576004E-06 -1.0178854E-06 1.9121987E-07 2 -2.7694285E-05 8.5503488E-06 -3.1566716E-06 5.9295896E-07 3 -1.1155673E-04 3.4524597E-05 -1.2749041E-05 2.3952924E-06 4 -4.1427287E-04 1.2835807E-04 -4.7408456E-05 8.9052809E-06 5 -1.5137593E-03 4.7063236E-04 -1.7388256E-04 3.2673606E-05 6 -5.1650501E-03 1.6095517E-03 -5.9489546E-04 1.1174595E-04 7 -1.6217153E-02 5.1073462E-03 -1.8898187E-03 3.5521052E-04 8 -4.5843271E-02 1.4702035E-02 -5.4526445E-03 1.0245228E-03 9 -1.1353795E-01 3.8279790E-02 -1.4279475E-02 2.6871064E-03 10 -2.3192403E-01 8.6132307E-02 -3.2517891E-02 6.1215132E-03 11 -3.4713086E-01 1.5971655E-01 -6.1943892E-02 1.1717692E-02 12 -2.9318937E-01 1.8927025E-01 -7.7016103E-02 1.4611306E-02 13 -8.8977941E-02 1.4649269E-02 -6.2000512E-03 1.2715515E-03 14 -4.2628922E-03 -4.4481647E-01 2.4474924E-01 -4.8561682E-02 15 -7.9422209E-04 -5.6551701E-01 4.8239989E-01 -1.0030845E-01 16 2.6770521E-04 -1.3410727E-01 1.9583940E-03 3.2246326E-03 17 -6.1352420E-05 -4.1971898E-03 -7.1453962E-01 1.8725404E-01 18 5.6080508E-05 -1.1415312E-03 -4.7425100E-01 2.0878393E-01 19 -2.0349695E-05 -2.9553572E-05 -2.8646991E-02 6.8936924E-02 20 7.8733493E-06 1.6634888E-06 -2.9428622E-03 -4.9944707E-01 21 -2.1158491E-06 5.1624885E-08 6.0161518E-04 -6.5912978E-01 22 -3.4349677E-05 1.0579407E-05 -3.9044678E-06 7.3353829E-07 23 -1.0390029E-04 3.1968320E-05 -1.1797751E-05 2.2158531E-06 24 -2.9830249E-04 9.1905587E-05 -3.3919943E-05 6.3728737E-06 25 -7.5697147E-04 2.3300197E-04 -8.5993056E-05 1.6150835E-05 26 -1.7536991E-03 5.4123874E-04 -1.9979553E-04 3.7540102E-05 27 -3.7292871E-03 1.1526919E-03 -4.2563617E-04 7.9941033E-05 28 -7.3189685E-03 2.2863445E-03 -8.4518791E-04 1.5884582E-04 29 -1.3160326E-02 4.1867715E-03 -1.5513425E-03 2.9145313E-04 30 -2.1174898E-02 7.0859044E-03 -2.6409777E-03 4.9693012E-04 31 -2.8690295E-02 1.0580832E-02 -3.9915504E-03 7.5133888E-04 32 -2.8989502E-02 1.3253529E-02 -5.1367662E-03 9.7162649E-04 33 -1.6744691E-02 1.0750797E-02 -4.3728100E-03 8.2956129E-04 34 -3.5006669E-03 5.8840648E-04 -2.5070741E-04 5.1333279E-05 35 -1.1579245E-04 -1.1994780E-02 6.5942235E-03 -1.3082596E-03 36 -1.4687567E-05 -1.0488513E-02 8.9409892E-03 -1.8590670E-03 37 3.3369666E-06 -1.6914892E-03 2.5973488E-05 4.0285821E-05 38 -4.9077169E-07 -3.5380225E-05 -6.0192016E-03 1.5772852E-03 39 2.9517734E-07 -6.2736613E-06 -2.6078566E-03 1.1479910E-03 40 -6.4599801E-08 -1.0603480E-07 -9.9771983E-05 2.4006237E-04 41 1.4159464E-08 4.8477651E-09 -6.2528704E-06 -1.0616398E-03 42 -1.8679550E-09 -3.2128494E-10 7.4670252E-07 -8.1896089E-04 2P- 3P- -2.7631023E+01 -2.6229455E+00 ------------ ------------ 1 1.4226227E-04 5.1238220E-05 2 4.8493984E-04 1.7509091E-04 3 2.5733106E-03 9.2988680E-04 4 1.2017432E-02 4.3803827E-03 5 4.5605456E-02 1.6844959E-02 6 1.3066122E-01 4.9942143E-02 7 2.6641686E-01 1.0585330E-01 8 3.6998969E-01 1.5687918E-01 9 2.8361259E-01 9.7537540E-02 10 7.8335771E-02 -1.8448245E-01 11 5.2364892E-03 -4.7751742E-01 12 7.2738051E-04 -4.1230568E-01 13 1.3029228E-04 -9.4964654E-02 14 4.0023237E-05 1.4410975E-05 15 1.7550440E-04 6.3430844E-05 16 6.7991238E-04 2.4569386E-04 17 2.1061597E-03 7.6777970E-04 18 5.1363712E-03 1.8972167E-03 19 9.7372951E-03 3.7221767E-03 20 1.3523085E-02 5.3743825E-03 21 1.3082556E-02 5.5492041E-03 22 7.0371032E-03 2.4228134E-03 23 1.3503811E-03 -3.2113870E-03 24 5.0914264E-05 -5.6975702E-03 25 2.1432970E-06 -3.2575886E-03 26 -4.8033524E-06 -4.7330604E-04 2P+ 3P+ -2.7164320E+01 -2.5627850E+00 ------------ ------------ 1 -2.4955191E-05 8.9783406E-06 2 -2.4830838E-04 8.9720083E-05 3 -1.9117098E-03 6.9037941E-04 4 -1.0610633E-02 3.8655649E-03 5 -4.2775563E-02 1.5786228E-02 6 -1.2632233E-01 4.8230580E-02 7 -2.6224799E-01 1.0407143E-01 8 -3.7025507E-01 1.5694218E-01 9 -2.8947145E-01 1.0251776E-01 10 -8.2433548E-02 -1.7576950E-01 11 -5.6743085E-03 -4.7366344E-01 12 -7.7139364E-04 -4.1965504E-01 13 -1.3241936E-04 -1.0094814E-01 14 -2.7691597E-05 9.9511672E-06 15 -1.4450771E-04 5.2170954E-05 16 -6.0826365E-04 2.1945353E-04 17 -1.9707512E-03 7.1736463E-04 18 -4.9278439E-03 1.8171599E-03 19 -9.5000437E-03 3.6246473E-03 20 -1.3377721E-02 5.3057307E-03 21 -1.3131224E-02 5.5632219E-03 22 -7.2108304E-03 2.5533137E-03 23 -1.4354635E-03 -3.0578803E-03 24 -6.7736687E-05 -5.6503330E-03 25 -6.0917418E-06 -3.3153326E-03 26 -6.6052236E-07 -5.0258444E-04 3D- -3.8879185E-01 ------------ 1 -5.7269701E-04 2 -4.6583905E-03 3 -2.3774377E-02 4 -7.5906928E-02 5 -1.7254608E-01 6 -2.6614467E-01 7 -3.0639178E-01 8 -2.8616291E-01 9 -2.0072803E-01 10 -6.6462215E-02 11 -8.5008606E-05 12 -4.0796559E-04 13 -1.2832501E-03 14 -2.6643323E-03 15 -4.0827714E-03 16 -4.3243257E-03 17 -3.4138830E-03 18 -2.1416792E-03 19 -9.6890779E-04 20 -1.9478442E-04 3D+ -3.8276989E-01 ------------ 1 5.2914711E-04 2 4.5183383E-03 3 2.3361073E-02 4 7.5067026E-02 5 1.7106568E-01 6 2.6459969E-01 7 3.0574418E-01 8 2.8714108E-01 9 2.0339978E-01 10 6.8952507E-02 11 8.2132116E-05 12 3.9961266E-04 13 1.2658618E-03 14 2.6384082E-03 15 4.0508740E-03 16 4.3007472E-03 17 3.4074940E-03 18 2.1493048E-03 19 9.8194170E-04 20 2.0213303E-04 ******************** COBALT SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.2139520176E+08 0.1000000000E+01 0.1000000000E+01 2 0.4072861967E+07 0.1000000000E+01 0.1000000000E+01 3 0.8948812373E+06 0.1000000000E+01 0.1000000000E+01 4 0.2241616308E+06 0.1000000000E+01 0.1000000000E+01 5 0.6323173161E+05 0.1000000000E+01 0.1000000000E+01 6 0.1983967504E+05 0.1000000000E+01 0.1000000000E+01 7 0.6839234171E+04 0.1000000000E+01 0.1000000000E+01 8 0.2558595268E+04 0.1000000000E+01 0.1000000000E+01 9 0.1026040889E+04 0.1000000000E+01 0.1000000000E+01 10 0.4356567632E+03 0.1000000000E+01 0.1000000000E+01 11 0.1934589060E+03 0.1000000000E+01 0.1000000000E+01 12 0.8874527273E+02 0.1000000000E+01 0.1000000000E+01 13 0.4153954369E+02 0.1000000000E+01 0.1000000000E+01 14 0.1959683634E+02 0.1000000000E+01 0.1000000000E+01 15 0.9203769200E+01 0.1000000000E+01 0.1000000000E+01 16 0.4250585356E+01 0.1000000000E+01 0.1000000000E+01 17 0.1906701863E+01 0.1000000000E+01 0.1000000000E+01 18 0.8205699827E+00 0.1000000000E+01 0.1000000000E+01 19 0.3346532180E+00 0.1000000000E+01 0.1000000000E+01 20 0.1277522883E+00 0.1000000000E+01 0.1000000000E+01 21 0.4509043578E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.3203769680E+05 0.1000000000E+01 0.1000000000E+01 2 0.6845355291E+04 0.1000000000E+01 0.1000000000E+01 3 0.1822402477E+04 0.1000000000E+01 0.1000000000E+01 4 0.5849759246E+03 0.1000000000E+01 0.1000000000E+01 5 0.2190830997E+03 0.1000000000E+01 0.1000000000E+01 6 0.9263790963E+02 0.1000000000E+01 0.1000000000E+01 7 0.4279661287E+02 0.1000000000E+01 0.1000000000E+01 8 0.2090271158E+02 0.1000000000E+01 0.1000000000E+01 9 0.1044480251E+02 0.1000000000E+01 0.1000000000E+01 10 0.5166947023E+01 0.1000000000E+01 0.1000000000E+01 11 0.2448700965E+01 0.1000000000E+01 0.1000000000E+01 12 0.1075814170E+01 0.1000000000E+01 0.1000000000E+01 13 0.4240043663E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.3203769680E+05 0.1000000000E+01 0.1000000000E+01 2 0.6845355291E+04 0.1000000000E+01 0.1000000000E+01 3 0.1822402477E+04 0.1000000000E+01 0.1000000000E+01 4 0.5849759246E+03 0.1000000000E+01 0.1000000000E+01 5 0.2190830997E+03 0.1000000000E+01 0.1000000000E+01 6 0.9263790963E+02 0.1000000000E+01 0.1000000000E+01 7 0.4279661287E+02 0.1000000000E+01 0.1000000000E+01 8 0.2090271158E+02 0.1000000000E+01 0.1000000000E+01 9 0.1044480251E+02 0.1000000000E+01 0.1000000000E+01 10 0.5166947023E+01 0.1000000000E+01 0.1000000000E+01 11 0.2448700965E+01 0.1000000000E+01 0.1000000000E+01 12 0.1075814170E+01 0.1000000000E+01 0.1000000000E+01 13 0.4240043663E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.3628838287E+03 0.1000000000E+01 0.1000000000E+01 2 0.1083900092E+03 0.1000000000E+01 0.1000000000E+01 3 0.3921064543E+02 0.1000000000E+01 0.1000000000E+01 4 0.1640871582E+02 0.1000000000E+01 0.1000000000E+01 5 0.7586890666E+01 0.1000000000E+01 0.1000000000E+01 6 0.3701983265E+01 0.1000000000E+01 0.1000000000E+01 7 0.1820745459E+01 0.1000000000E+01 0.1000000000E+01 8 0.8621263972E+00 0.1000000000E+01 0.1000000000E+01 9 0.3753724008E+00 0.1000000000E+01 0.1000000000E+01 10 0.1435443773E+00 0.1000000000E+01 0.1000000000E+01 D+ 1 0.3628838287E+03 0.1000000000E+01 0.1000000000E+01 2 0.1083900092E+03 0.1000000000E+01 0.1000000000E+01 3 0.3921064543E+02 0.1000000000E+01 0.1000000000E+01 4 0.1640871582E+02 0.1000000000E+01 0.1000000000E+01 5 0.7586890666E+01 0.1000000000E+01 0.1000000000E+01 6 0.3701983265E+01 0.1000000000E+01 0.1000000000E+01 7 0.1820745459E+01 0.1000000000E+01 0.1000000000E+01 8 0.8621263972E+00 0.1000000000E+01 0.1000000000E+01 9 0.3753724008E+00 0.1000000000E+01 0.1000000000E+01 10 0.1435443773E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 4 2 2 0 0 OPEN SHELLS 0 0 0 1 1 NUMBER OF OPEN SHELL CONFG 4 CONF OPEN SHELL OCCUPATION NUMBERS 1 0.0 0.0 0.0 4.0 3.0 2 0.0 0.0 0.0 3.0 4.0 3 0.0 0.0 0.0 2.0 5.0 4 0.0 0.0 0.0 1.0 6.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -2.8593205E+02 -3.5495061E+01 -4.6336828E+00 -2.7268650E-01 ------------ ------------ ------------ ------------ 1 -8.7685485E-06 -2.7207445E-06 -1.0171191E-06 2.1687596E-07 2 -2.6646838E-05 -8.2788881E-06 -3.0951887E-06 6.5999698E-07 3 -1.0487709E-04 -3.2664234E-05 -1.2217107E-05 2.6051304E-06 4 -3.8158389E-04 -1.1900220E-04 -4.4508733E-05 9.4913573E-06 5 -1.3812960E-03 -4.3228364E-04 -1.6178454E-04 3.4500506E-05 6 -4.7175887E-03 -1.4797078E-03 -5.5377855E-04 1.1810332E-04 7 -1.4961559E-02 -4.7399673E-03 -1.7766967E-03 3.7894612E-04 8 -4.3007992E-02 -1.3860141E-02 -5.2035816E-03 1.1102385E-03 9 -1.0891083E-01 -3.6817202E-02 -1.3910921E-02 2.9699417E-03 10 -2.2816760E-01 -8.4741947E-02 -3.2366487E-02 6.9212823E-03 11 -3.5032273E-01 -1.6062887E-01 -6.3111811E-02 1.3540913E-02 12 -3.0114468E-01 -1.9418818E-01 -7.9893757E-02 1.7251637E-02 13 -9.0935843E-02 -1.4270001E-02 -6.4395124E-03 1.4174437E-03 14 -4.0221361E-03 4.5941773E-01 2.6025903E-01 -5.8683997E-02 15 -7.9367073E-04 5.6070903E-01 4.8975033E-01 -1.1676731E-01 16 2.8419133E-04 1.2341563E-01 -2.8146725E-02 1.2372318E-02 17 -7.0145007E-05 4.8813106E-03 -7.3087778E-01 2.2118961E-01 18 5.9141722E-05 4.6772202E-04 -4.5186211E-01 2.5760715E-01 19 -2.2583774E-05 3.0219046E-04 -1.9391763E-02 5.9752971E-04 20 8.8478938E-06 -1.1813629E-04 -3.5546319E-03 -6.0285730E-01 21 -2.2979064E-06 3.3370401E-05 1.0358621E-03 -5.4019470E-01 22 -3.2605147E-05 -1.0106018E-05 -3.7777805E-06 8.0549708E-07 23 -1.0008868E-04 -3.0990144E-05 -1.1580710E-05 2.4692919E-06 24 -2.8711076E-04 -8.9018788E-05 -3.3278763E-05 7.0956835E-06 25 -7.3070406E-04 -2.2633221E-04 -8.4580225E-05 1.8034759E-05 26 -1.7030980E-03 -5.2888791E-04 -1.9776322E-04 4.2167780E-05 27 -3.6544397E-03 -1.1363039E-03 -4.2481438E-04 9.0587830E-05 28 -7.2584167E-03 -2.2795153E-03 -8.5356696E-04 1.8203011E-04 29 -1.3243670E-02 -4.2310687E-03 -1.5868607E-03 3.3853016E-04 30 -2.1688097E-02 -7.2722015E-03 -2.7451345E-03 5.8600685E-04 31 -2.9958608E-02 -1.1042509E-02 -4.2139880E-03 9.0102765E-04 32 -3.0852355E-02 -1.4048814E-02 -5.5157951E-03 1.1833260E-03 33 -1.8023691E-02 -1.1553582E-02 -4.7512310E-03 1.0258884E-03 34 -3.7284328E-03 -5.9936924E-04 -2.7210084E-04 5.9914401E-05 35 -1.1336744E-04 1.2847455E-02 7.2713503E-03 -1.6393800E-03 36 -1.5180369E-05 1.0757049E-02 9.3889188E-03 -2.2384066E-03 37 3.6604599E-06 1.6093752E-03 -3.6526279E-04 1.6072864E-04 38 -5.8128402E-07 4.2644103E-05 -6.3782026E-03 1.9300962E-03 39 3.2240671E-07 2.6636964E-06 -2.5870091E-03 1.4747224E-03 40 -7.4708949E-08 1.1126220E-06 -7.0910859E-05 2.2005705E-06 41 1.6700070E-08 -2.6996737E-07 -8.0265082E-06 -1.3617424E-03 42 -2.1120039E-09 4.5659885E-08 1.3892026E-06 -7.2492000E-04 2P- 3P- -3.0627736E+01 -3.0853919E+00 ------------ ------------ 1 -1.4060636E-04 5.1553113E-05 2 -4.9185475E-04 1.8076481E-04 3 -2.6033659E-03 9.5776134E-04 4 -1.2265193E-02 4.5522336E-03 5 -4.6426947E-02 1.7467701E-02 6 -1.3119128E-01 5.1112083E-02 7 -2.6336606E-01 1.0667339E-01 8 -3.6318193E-01 1.5698161E-01 9 -2.8421746E-01 1.0103956E-01 10 -8.4388994E-02 -1.7176092E-01 11 -6.1880008E-03 -4.7719096E-01 12 -8.0297287E-04 -4.2558264E-01 13 -8.5484412E-05 -9.1903401E-02 14 -3.9117902E-05 1.4339376E-05 15 -1.7942022E-04 6.6014712E-05 16 -7.1176180E-04 2.6186080E-04 17 -2.2288956E-03 8.2735959E-04 18 -5.4247318E-03 2.0410417E-03 19 -1.0163830E-02 3.9602191E-03 20 -1.3963633E-02 5.6573730E-03 21 -1.3501028E-02 5.8380471E-03 22 -7.4661628E-03 2.6574617E-03 23 -1.5502295E-03 -3.1864578E-03 24 -6.5440811E-05 -6.0936225E-03 25 -2.4473301E-06 -3.6019661E-03 26 5.9695210E-06 -4.8886985E-04 2P+ 3P+ -3.0074454E+01 -3.0125354E+00 ------------ ------------ 1 2.1726391E-05 -7.9596776E-06 2 2.3388834E-04 -8.6050837E-05 3 1.8858856E-03 -6.9353483E-04 4 1.0714026E-02 -3.9752164E-03 5 4.3336433E-02 -1.6294015E-02 6 1.2650006E-01 -4.9236760E-02 7 2.5892578E-01 -1.0476762E-01 8 3.6337618E-01 -1.5704273E-01 9 2.9035893E-01 -1.0634178E-01 10 8.8981003E-02 1.6242888E-01 11 6.7629281E-03 4.7265420E-01 12 8.4731746E-04 4.3375470E-01 13 8.7699475E-05 9.8167597E-02 14 2.5964205E-05 -9.5000867E-06 15 1.4471536E-04 -5.3194426E-05 16 6.3038001E-04 -2.3157881E-04 17 2.0740530E-03 -7.6882416E-04 18 5.1877670E-03 -1.9488289E-03 19 9.8975673E-03 -3.8494117E-03 20 1.3802220E-02 -5.5810727E-03 21 1.3552656E-02 -5.8539097E-03 22 7.6598674E-03 -2.8047890E-03 23 1.6513271E-03 3.0111299E-03 24 8.6405572E-05 6.0342236E-03 25 7.1686607E-06 3.6707379E-03 26 4.6708763E-07 5.2155810E-04 3D- -6.4207011E-01 ------------ 1 4.1958623E-04 2 3.9499305E-03 3 2.1777154E-02 4 7.0695067E-02 5 1.6052098E-01 6 2.5369986E-01 7 3.0341121E-01 8 2.9362852E-01 9 1.9995641E-01 10 5.8573112E-02 11 7.1524237E-05 12 3.8943452E-04 13 1.3068229E-03 14 2.7570386E-03 15 4.2626095E-03 16 4.7094402E-03 17 3.9508263E-03 18 2.6313740E-03 19 1.1824172E-03 20 2.1413788E-04 3D+ -6.3418450E-01 ------------ 1 3.8012928E-04 2 3.8107504E-03 3 2.1366283E-02 4 6.9901140E-02 5 1.5919665E-01 6 2.5231707E-01 7 3.0282632E-01 8 2.9458731E-01 9 2.0235000E-01 10 6.0368327E-02 11 6.8751572E-05 12 3.8068427E-04 13 1.2883316E-03 14 2.7306592E-03 15 4.2314222E-03 16 4.6859049E-03 17 3.9444092E-03 18 2.6404695E-03 19 1.1967981E-03 20 2.2079684E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -2.8593205E+02 -3.5495062E+01 -4.6336829E+00 -2.7268650E-01 ------------ ------------ ------------ ------------ 1 8.7699643E-06 -2.7211855E-06 -1.0172840E-06 2.1691112E-07 2 2.6648094E-05 -8.2792749E-06 -3.0953333E-06 6.6002780E-07 3 1.0487513E-04 -3.2663629E-05 -1.2216881E-05 2.6050822E-06 4 3.8158659E-04 -1.1900303E-04 -4.4509044E-05 9.4914236E-06 5 1.3812933E-03 -4.3228280E-04 -1.6178423E-04 3.4500440E-05 6 4.7175922E-03 -1.4797089E-03 -5.5377896E-04 1.1810341E-04 7 1.4961555E-02 -4.7399662E-03 -1.7766963E-03 3.7894603E-04 8 4.3007997E-02 -1.3860143E-02 -5.2035822E-03 1.1102386E-03 9 1.0891083E-01 -3.6817200E-02 -1.3910920E-02 2.9699416E-03 10 2.2816761E-01 -8.4741949E-02 -3.2366488E-02 6.9212825E-03 11 3.5032272E-01 -1.6062887E-01 -6.3111810E-02 1.3540913E-02 12 3.0114468E-01 -1.9418819E-01 -7.9893758E-02 1.7251638E-02 13 9.0935837E-02 -1.4269998E-02 -6.4395105E-03 1.4174434E-03 14 4.0221403E-03 4.5941773E-01 2.6025903E-01 -5.8683997E-02 15 7.9366781E-04 5.6070903E-01 4.8975033E-01 -1.1676731E-01 16 -2.8418955E-04 1.2341562E-01 -2.8146728E-02 1.2372320E-02 17 7.0144008E-05 4.8813120E-03 -7.3087778E-01 2.2118962E-01 18 -5.9141193E-05 4.6772196E-04 -4.5186211E-01 2.5760714E-01 19 2.2583517E-05 3.0218998E-04 -1.9391762E-02 5.9753188E-04 20 -8.8477617E-06 -1.1813480E-04 -3.5546337E-03 -6.0285731E-01 21 2.2978613E-06 3.3369571E-05 1.0358631E-03 -5.4019469E-01 22 3.2697019E-05 -1.0134480E-05 -3.7884183E-06 8.0776529E-07 23 1.0005007E-04 -3.0978185E-05 -1.1576240E-05 2.4683388E-06 24 2.8712872E-04 -8.9024354E-05 -3.3280843E-05 7.0961271E-06 25 7.3069571E-04 -2.2632962E-04 -8.4579258E-05 1.8034553E-05 26 1.7031031E-03 -5.2888949E-04 -1.9776381E-04 4.2167906E-05 27 3.6544369E-03 -1.1363030E-03 -4.2481406E-04 9.0587762E-05 28 7.2584189E-03 -2.2795160E-03 -8.5356721E-04 1.8203017E-04 29 1.3243669E-02 -4.2310683E-03 -1.5868606E-03 3.3853013E-04 30 2.1688098E-02 -7.2722019E-03 -2.7451347E-03 5.8600688E-04 31 2.9958607E-02 -1.1042509E-02 -4.2139880E-03 9.0102763E-04 32 3.0852355E-02 -1.4048814E-02 -5.5157952E-03 1.1833260E-03 33 1.8023690E-02 -1.1553581E-02 -4.7512309E-03 1.0258883E-03 34 3.7284332E-03 -5.9936935E-04 -2.7210083E-04 5.9914404E-05 35 1.1336714E-04 1.2847455E-02 7.2713504E-03 -1.6393800E-03 36 1.5180570E-05 1.0757049E-02 9.3889188E-03 -2.2384066E-03 37 -3.6605848E-06 1.6093752E-03 -3.6526281E-04 1.6072866E-04 38 5.8135459E-07 4.2644091E-05 -6.3782026E-03 1.9300963E-03 39 -3.2244336E-07 2.6637063E-06 -2.5870091E-03 1.4747223E-03 40 7.4726532E-08 1.1126173E-06 -7.0910857E-05 2.2005787E-06 41 -1.6707400E-08 -2.6996353E-07 -8.0265113E-06 -1.3617424E-03 42 2.1141257E-09 4.5658433E-08 1.3892036E-06 -7.2491998E-04 2P- 3P- -3.0627736E+01 -3.0853919E+00 ------------ ------------ 1 -1.4060636E-04 5.1553114E-05 2 -4.9185475E-04 1.8076481E-04 3 -2.6033659E-03 9.5776134E-04 4 -1.2265193E-02 4.5522336E-03 5 -4.6426947E-02 1.7467701E-02 6 -1.3119128E-01 5.1112083E-02 7 -2.6336606E-01 1.0667339E-01 8 -3.6318193E-01 1.5698161E-01 9 -2.8421746E-01 1.0103956E-01 10 -8.4388994E-02 -1.7176092E-01 11 -6.1880008E-03 -4.7719096E-01 12 -8.0297290E-04 -4.2558264E-01 13 -8.5484421E-05 -9.1903401E-02 14 -3.9117901E-05 1.4339376E-05 15 -1.7942022E-04 6.6014712E-05 16 -7.1176180E-04 2.6186080E-04 17 -2.2288956E-03 8.2735959E-04 18 -5.4247318E-03 2.0410417E-03 19 -1.0163830E-02 3.9602191E-03 20 -1.3963633E-02 5.6573730E-03 21 -1.3501028E-02 5.8380471E-03 22 -7.4661628E-03 2.6574617E-03 23 -1.5502295E-03 -3.1864577E-03 24 -6.5440810E-05 -6.0936225E-03 25 -2.4473304E-06 -3.6019661E-03 26 5.9695210E-06 -4.8886985E-04 2P+ 3P+ -3.0074454E+01 -3.0125354E+00 ------------ ------------ 1 2.1726391E-05 -7.9596776E-06 2 2.3388834E-04 -8.6050837E-05 3 1.8858856E-03 -6.9353483E-04 4 1.0714026E-02 -3.9752164E-03 5 4.3336433E-02 -1.6294015E-02 6 1.2650006E-01 -4.9236760E-02 7 2.5892578E-01 -1.0476762E-01 8 3.6337618E-01 -1.5704273E-01 9 2.9035893E-01 -1.0634178E-01 10 8.8981003E-02 1.6242888E-01 11 6.7629282E-03 4.7265420E-01 12 8.4731745E-04 4.3375470E-01 13 8.7699480E-05 9.8167597E-02 14 2.5964205E-05 -9.5000866E-06 15 1.4471536E-04 -5.3194426E-05 16 6.3038001E-04 -2.3157881E-04 17 2.0740530E-03 -7.6882416E-04 18 5.1877670E-03 -1.9488289E-03 19 9.8975673E-03 -3.8494117E-03 20 1.3802220E-02 -5.5810727E-03 21 1.3552656E-02 -5.8539097E-03 22 7.6598674E-03 -2.8047890E-03 23 1.6513271E-03 3.0111299E-03 24 8.6405572E-05 6.0342236E-03 25 7.1686606E-06 3.6707379E-03 26 4.6708765E-07 5.2155810E-04 3D- -6.4207011E-01 ------------ 1 4.1958623E-04 2 3.9499305E-03 3 2.1777154E-02 4 7.0695067E-02 5 1.6052098E-01 6 2.5369986E-01 7 3.0341121E-01 8 2.9362852E-01 9 1.9995641E-01 10 5.8573113E-02 11 7.1524237E-05 12 3.8943452E-04 13 1.3068229E-03 14 2.7570386E-03 15 4.2626095E-03 16 4.7094402E-03 17 3.9508263E-03 18 2.6313740E-03 19 1.1824173E-03 20 2.1413788E-04 3D+ -6.3418450E-01 ------------ 1 3.8012928E-04 2 3.8107504E-03 3 2.1366283E-02 4 6.9901140E-02 5 1.5919665E-01 6 2.5231707E-01 7 3.0282632E-01 8 2.9458731E-01 9 2.0235000E-01 10 6.0368327E-02 11 6.8751572E-05 12 3.8068427E-04 13 1.2883316E-03 14 2.7306592E-03 15 4.2314222E-03 16 4.6859049E-03 17 3.9444092E-03 18 2.6404695E-03 19 1.1967981E-03 20 2.2079684E-04 ____________________ SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1792331541E+08 0.1000000000E+01 0.1000000000E+01 2 0.3440895104E+07 0.1000000000E+01 0.1000000000E+01 3 0.7622066307E+06 0.1000000000E+01 0.1000000000E+01 4 0.1924165451E+06 0.1000000000E+01 0.1000000000E+01 5 0.5467649925E+05 0.1000000000E+01 0.1000000000E+01 6 0.1727300042E+05 0.1000000000E+01 0.1000000000E+01 7 0.5991890379E+04 0.1000000000E+01 0.1000000000E+01 8 0.2254286577E+04 0.1000000000E+01 0.1000000000E+01 9 0.9084975869E+03 0.1000000000E+01 0.1000000000E+01 10 0.3873718124E+03 0.1000000000E+01 0.1000000000E+01 11 0.1726004942E+03 0.1000000000E+01 0.1000000000E+01 12 0.7937541947E+02 0.1000000000E+01 0.1000000000E+01 13 0.3721175975E+02 0.1000000000E+01 0.1000000000E+01 14 0.1756486261E+02 0.1000000000E+01 0.1000000000E+01 15 0.8245174982E+01 0.1000000000E+01 0.1000000000E+01 16 0.3801594276E+01 0.1000000000E+01 0.1000000000E+01 17 0.1700445115E+01 0.1000000000E+01 0.1000000000E+01 18 0.7288038124E+00 0.1000000000E+01 0.1000000000E+01 19 0.2956174136E+00 0.1000000000E+01 0.1000000000E+01 20 0.1120833100E+00 0.1000000000E+01 0.1000000000E+01 21 0.3923409484E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.3190811065E+05 0.1000000000E+01 0.1000000000E+01 2 0.7052859632E+04 0.1000000000E+01 0.1000000000E+01 3 0.1914261061E+04 0.1000000000E+01 0.1000000000E+01 4 0.6188431971E+03 0.1000000000E+01 0.1000000000E+01 5 0.2311401370E+03 0.1000000000E+01 0.1000000000E+01 6 0.9675137782E+02 0.1000000000E+01 0.1000000000E+01 7 0.4402483687E+02 0.1000000000E+01 0.1000000000E+01 8 0.2112364767E+02 0.1000000000E+01 0.1000000000E+01 9 0.1036674450E+02 0.1000000000E+01 0.1000000000E+01 10 0.5047658368E+01 0.1000000000E+01 0.1000000000E+01 11 0.2365284295E+01 0.1000000000E+01 0.1000000000E+01 12 0.1034652083E+01 0.1000000000E+01 0.1000000000E+01 13 0.4098214418E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.3190811065E+05 0.1000000000E+01 0.1000000000E+01 2 0.7052859632E+04 0.1000000000E+01 0.1000000000E+01 3 0.1914261061E+04 0.1000000000E+01 0.1000000000E+01 4 0.6188431971E+03 0.1000000000E+01 0.1000000000E+01 5 0.2311401370E+03 0.1000000000E+01 0.1000000000E+01 6 0.9675137782E+02 0.1000000000E+01 0.1000000000E+01 7 0.4402483687E+02 0.1000000000E+01 0.1000000000E+01 8 0.2112364767E+02 0.1000000000E+01 0.1000000000E+01 9 0.1036674450E+02 0.1000000000E+01 0.1000000000E+01 10 0.5047658368E+01 0.1000000000E+01 0.1000000000E+01 11 0.2365284295E+01 0.1000000000E+01 0.1000000000E+01 12 0.1034652083E+01 0.1000000000E+01 0.1000000000E+01 13 0.4098214418E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.3090261061E+03 0.1000000000E+01 0.1000000000E+01 2 0.9633774175E+02 0.1000000000E+01 0.1000000000E+01 3 0.3556425757E+02 0.1000000000E+01 0.1000000000E+01 4 0.1489927154E+02 0.1000000000E+01 0.1000000000E+01 5 0.6788414265E+01 0.1000000000E+01 0.1000000000E+01 6 0.3223603836E+01 0.1000000000E+01 0.1000000000E+01 7 0.1528984298E+01 0.1000000000E+01 0.1000000000E+01 8 0.6941773388E+00 0.1000000000E+01 0.1000000000E+01 9 0.2891091886E+00 0.1000000000E+01 0.1000000000E+01 10 0.1058511118E+00 0.1000000000E+01 0.1000000000E+01 D+ 1 0.3090261061E+03 0.1000000000E+01 0.1000000000E+01 2 0.9633774175E+02 0.1000000000E+01 0.1000000000E+01 3 0.3556425757E+02 0.1000000000E+01 0.1000000000E+01 4 0.1489927154E+02 0.1000000000E+01 0.1000000000E+01 5 0.6788414265E+01 0.1000000000E+01 0.1000000000E+01 6 0.3223603836E+01 0.1000000000E+01 0.1000000000E+01 7 0.1528984298E+01 0.1000000000E+01 0.1000000000E+01 8 0.6941773388E+00 0.1000000000E+01 0.1000000000E+01 9 0.2891091886E+00 0.1000000000E+01 0.1000000000E+01 10 0.1058511118E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 3 2 2 0 0 OPEN SHELLS 1 0 0 1 1 NUMBER OF OPEN SHELL CONFG 3 CONF OPEN SHELL OCCUPATION NUMBERS 1 1.0 0.0 0.0 4.0 4.0 2 1.0 0.0 0.0 3.0 5.0 3 1.0 0.0 0.0 2.0 6.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -2.8572188E+02 -3.5260693E+01 -4.4135202E+00 -2.3158517E-01 ------------ ------------ ------------ ------------ 1 1.0248190E-05 3.1801682E-06 1.1815044E-06 2.1734487E-07 2 3.0715902E-05 9.5455724E-06 3.5460994E-06 6.5219763E-07 3 1.2197904E-04 3.7997785E-05 1.4125321E-05 2.5988695E-06 4 4.4560346E-04 1.3901565E-04 5.1659765E-05 9.5006854E-06 5 1.6154155E-03 5.0567803E-04 1.8812161E-04 3.4619250E-05 6 5.5032399E-03 1.7275689E-03 6.4233772E-04 1.1812306E-04 7 1.7346017E-02 5.5037865E-03 2.0512967E-03 3.7763876E-04 8 4.9345726E-02 1.5971773E-02 5.9587267E-03 1.0960070E-03 9 1.2269215E-01 4.1862461E-02 1.5746392E-02 2.9029267E-03 10 2.4887126E-01 9.4419355E-02 3.5897206E-02 6.6150327E-03 11 3.5905197E-01 1.7168998E-01 6.7506999E-02 1.2522645E-02 12 2.7418387E-01 1.8626709E-01 7.6568083E-02 1.4208432E-02 13 6.6705348E-02 -4.1296140E-02 -1.8295817E-02 -3.2931443E-03 14 2.5148362E-03 -5.2117147E-01 -3.0991848E-01 -6.0867415E-02 15 2.7307901E-04 -5.0694899E-01 -4.6608513E-01 -9.5255032E-02 16 -2.1325541E-05 -8.1069929E-02 1.5160001E-01 3.7454120E-02 17 -7.3004485E-05 -5.7936132E-03 7.3794991E-01 1.9757443E-01 18 1.8790863E-05 9.0783390E-04 3.7608563E-01 1.8906954E-01 19 -1.2281798E-05 -8.4795815E-04 1.1462870E-02 2.7233825E-02 20 4.9155451E-06 3.3326194E-04 3.8104617E-03 -5.1819435E-01 21 -1.2376246E-06 -8.7351053E-05 -8.1029719E-04 -6.1956267E-01 22 3.7890769E-05 1.1743359E-05 4.3630968E-06 8.0273208E-07 23 1.1287229E-04 3.4952676E-05 1.2976780E-05 2.3861952E-06 24 3.2177057E-04 9.9757782E-05 3.7068691E-05 6.8205583E-06 25 8.1339097E-04 2.5199631E-04 9.3557028E-05 1.7202602E-05 26 1.8843905E-03 5.8524672E-04 2.1753708E-04 4.0030642E-05 27 4.0189128E-03 1.2506314E-03 4.6449907E-04 8.5404590E-05 28 7.9244591E-03 2.4924622E-03 9.2803460E-04 1.7083308E-04 29 1.4314094E-02 4.5931977E-03 1.7118488E-03 3.1482010E-04 30 2.3037941E-02 7.7973859E-03 2.9302797E-03 5.4015892E-04 31 3.0849451E-02 1.1616456E-02 4.4126984E-03 8.1306960E-04 32 2.9887136E-02 1.4194312E-02 5.5771662E-03 1.0344894E-03 33 1.5524388E-02 1.0486868E-02 4.3090895E-03 7.9958712E-04 34 2.5886666E-03 -1.5739187E-03 -6.9471481E-04 -1.2490913E-04 35 6.7184800E-05 -1.3801489E-02 -8.1999878E-03 -1.6103096E-03 36 4.8264978E-06 -9.2059909E-03 -8.4580305E-03 -1.7285219E-03 37 -1.7927993E-07 -9.9969913E-04 1.8668417E-03 4.6115400E-04 38 -6.4948131E-07 -4.7835424E-05 6.0817166E-03 1.6281487E-03 39 1.2441487E-07 4.9345343E-06 2.0292082E-03 1.0200542E-03 40 -5.2607677E-08 -2.9304066E-06 3.9395330E-05 9.3586180E-05 41 1.4552230E-08 7.1150573E-07 8.0610077E-06 -1.0963735E-03 42 -2.7415097E-09 -1.1111670E-07 -1.0139236E-06 -7.7555806E-04 2P- 3P- -3.0398145E+01 -2.8816618E+00 ------------ ------------ 1 -1.3986473E-04 5.0877135E-05 2 -4.6304131E-04 1.6883187E-04 3 -2.4017477E-03 8.7647636E-04 4 -1.1239276E-02 4.1363076E-03 5 -4.3278026E-02 1.6133902E-02 6 -1.2645619E-01 4.8766133E-02 7 -2.6327210E-01 1.0563143E-01 8 -3.7199060E-01 1.5920833E-01 9 -2.8909535E-01 1.0106881E-01 10 -8.0742535E-02 -1.8487999E-01 11 -5.4643139E-03 -4.7980185E-01 12 -7.8626581E-04 -4.1115860E-01 13 -1.4074532E-04 -9.4308755E-02 14 -3.8539325E-05 1.4015825E-05 15 -1.7015449E-04 6.2112363E-05 16 -6.6537288E-04 2.4282450E-04 17 -2.0917746E-03 7.6992123E-04 18 -5.1845560E-03 1.9328198E-03 19 -1.0006202E-02 3.8591155E-03 20 -1.4155108E-02 5.6809118E-03 21 -1.3900866E-02 5.9518590E-03 22 -7.5659098E-03 2.6482519E-03 23 -1.4649599E-03 -3.3899406E-03 24 -5.5287984E-05 -6.0217074E-03 25 -2.3055987E-06 -3.4126622E-03 26 5.5198593E-06 -4.9317829E-04 2P+ 3P+ -2.9844424E+01 -2.8092512E+00 ------------ ------------ 1 2.1437081E-05 -7.7887616E-06 2 2.1826922E-04 -7.9646326E-05 3 1.7175740E-03 -6.2632990E-04 4 9.7652466E-03 -3.5915048E-03 5 4.0289107E-02 -1.5004386E-02 6 1.2178352E-01 -4.6903935E-02 7 2.5865873E-01 -1.0363395E-01 8 3.7209731E-01 -1.5917783E-01 9 2.9541646E-01 -1.0645399E-01 10 8.5252355E-02 1.7533415E-01 11 5.9532754E-03 4.7562464E-01 12 8.3546269E-04 4.1915651E-01 13 1.4390970E-04 1.0079833E-01 14 2.5552143E-05 -9.2719569E-06 15 1.3690923E-04 -4.9913052E-05 16 5.8764551E-04 -2.1406476E-04 17 1.9428086E-03 -7.1387384E-04 18 4.9517784E-03 -1.8425046E-03 19 9.7359788E-03 -3.7468400E-03 20 1.3983584E-02 -5.5989805E-03 21 1.3950913E-02 -5.9647019E-03 22 7.7641420E-03 -2.7972746E-03 23 1.5637624E-03 3.2127384E-03 24 7.4755500E-05 5.9678649E-03 25 6.9310416E-06 3.4786679E-03 26 7.5315719E-07 5.2649868E-04 3D- -4.2243189E-01 ------------ 1 5.3505233E-04 2 4.5781749E-03 3 2.3947821E-02 4 7.6876476E-02 5 1.7306541E-01 6 2.6489418E-01 7 3.0412209E-01 8 2.8438104E-01 9 2.0129847E-01 10 6.8763174E-02 11 8.4978683E-05 12 4.2657751E-04 13 1.3695412E-03 14 2.8576635E-03 15 4.3477493E-03 16 4.5888881E-03 17 3.6290848E-03 18 2.2868925E-03 19 1.0446878E-03 20 2.1590896E-04 3D+ -4.1435774E-01 ------------ 1 -4.8904016E-04 2 -4.4227284E-03 3 -2.3481497E-02 4 -7.5920768E-02 5 -1.7140490E-01 6 -2.6316242E-01 7 -3.0335841E-01 8 -2.8542883E-01 9 -2.0432613E-01 10 -7.1765085E-02 11 -8.1753979E-05 12 -4.1679049E-04 13 -1.3487220E-03 14 -2.8264288E-03 15 -4.3097566E-03 16 -4.5607388E-03 17 -3.6209762E-03 18 -2.2956986E-03 19 -1.0605705E-03 20 -2.2539758E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -2.8572188E+02 -3.5260693E+01 -4.4135202E+00 -2.3158517E-01 ------------ ------------ ------------ ------------ 1 -1.0248963E-05 3.1804099E-06 1.1815942E-06 2.1736136E-07 2 -3.0717420E-05 9.5460409E-06 3.5462735E-06 6.5222967E-07 3 -1.2197695E-04 3.7997138E-05 1.4125080E-05 2.5988253E-06 4 -4.4560619E-04 1.3901649E-04 5.1660079E-05 9.5007433E-06 5 -1.6154127E-03 5.0567717E-04 1.8812129E-04 3.4619192E-05 6 -5.5032434E-03 1.7275700E-03 6.4233813E-04 1.1812314E-04 7 -1.7346013E-02 5.5037854E-03 2.0512963E-03 3.7763870E-04 8 -4.9345731E-02 1.5971775E-02 5.9587273E-03 1.0960072E-03 9 -1.2269215E-01 4.1862459E-02 1.5746392E-02 2.9029266E-03 10 -2.4887127E-01 9.4419357E-02 3.5897207E-02 6.6150330E-03 11 -3.5905196E-01 1.7168998E-01 6.7506998E-02 1.2522645E-02 12 -2.7418387E-01 1.8626709E-01 7.6568084E-02 1.4208433E-02 13 -6.6705342E-02 -4.1296144E-02 -1.8295819E-02 -3.2931450E-03 14 -2.5148402E-03 -5.2117147E-01 -3.0991848E-01 -6.0867416E-02 15 -2.7307632E-04 -5.0694899E-01 -4.6608513E-01 -9.5255036E-02 16 2.1323951E-05 -8.1069929E-02 1.5160002E-01 3.7454126E-02 17 7.3005359E-05 -5.7936129E-03 7.3794990E-01 1.9757443E-01 18 -1.8791302E-05 9.0783336E-04 3.7608564E-01 1.8906955E-01 19 1.2281970E-05 -8.4795714E-04 1.1462862E-02 2.7233817E-02 20 -4.9156022E-06 3.3326135E-04 3.8104656E-03 -5.1819436E-01 21 1.2376545E-06 -8.7351551E-05 -8.1029469E-04 -6.1956266E-01 22 -3.7966235E-05 1.1766738E-05 4.3717803E-06 8.0432932E-07 23 -1.1284004E-04 3.4942684E-05 1.2973069E-05 2.3855126E-06 24 -3.2178571E-04 9.9762473E-05 3.7070434E-05 6.8208789E-06 25 -8.1338386E-04 2.5199411E-04 9.3556211E-05 1.7202452E-05 26 -1.8843949E-03 5.8524807E-04 2.1753758E-04 4.0030736E-05 27 -4.0189104E-03 1.2506307E-03 4.6449879E-04 8.5404541E-05 28 -7.9244610E-03 2.4924628E-03 9.2803482E-04 1.7083313E-04 29 -1.4314093E-02 4.5931974E-03 1.7118487E-03 3.1482009E-04 30 -2.3037942E-02 7.7973862E-03 2.9302798E-03 5.4015895E-04 31 -3.0849450E-02 1.1616456E-02 4.4126983E-03 8.1306960E-04 32 -2.9887137E-02 1.4194312E-02 5.5771663E-03 1.0344894E-03 33 -1.5524388E-02 1.0486868E-02 4.3090895E-03 7.9958713E-04 34 -2.5886670E-03 -1.5739187E-03 -6.9471480E-04 -1.2490915E-04 35 -6.7184525E-05 -1.3801489E-02 -8.1999878E-03 -1.6103096E-03 36 -4.8266819E-06 -9.2059908E-03 -8.4580305E-03 -1.7285220E-03 37 1.7939297E-07 -9.9969918E-04 1.8668418E-03 4.6115407E-04 38 6.4941808E-07 -4.7835399E-05 6.0817165E-03 1.6281486E-03 39 -1.2438217E-07 4.9345195E-06 2.0292082E-03 1.0200543E-03 40 5.2592112E-08 -2.9303970E-06 3.9395304E-05 9.3586154E-05 41 -1.4545701E-08 7.1150149E-07 8.0610159E-06 -1.0963735E-03 42 2.7395432E-09 -1.1111606E-07 -1.0139207E-06 -7.7555804E-04 2P- 3P- -3.0398145E+01 -2.8816618E+00 ------------ ------------ 1 -1.3986473E-04 5.0877136E-05 2 -4.6304131E-04 1.6883187E-04 3 -2.4017477E-03 8.7647636E-04 4 -1.1239276E-02 4.1363076E-03 5 -4.3278026E-02 1.6133901E-02 6 -1.2645619E-01 4.8766133E-02 7 -2.6327210E-01 1.0563143E-01 8 -3.7199060E-01 1.5920833E-01 9 -2.8909535E-01 1.0106881E-01 10 -8.0742535E-02 -1.8487999E-01 11 -5.4643139E-03 -4.7980184E-01 12 -7.8626580E-04 -4.1115860E-01 13 -1.4074531E-04 -9.4308756E-02 14 -3.8539325E-05 1.4015825E-05 15 -1.7015449E-04 6.2112363E-05 16 -6.6537288E-04 2.4282450E-04 17 -2.0917746E-03 7.6992123E-04 18 -5.1845560E-03 1.9328198E-03 19 -1.0006202E-02 3.8591155E-03 20 -1.4155108E-02 5.6809118E-03 21 -1.3900866E-02 5.9518590E-03 22 -7.5659098E-03 2.6482519E-03 23 -1.4649599E-03 -3.3899406E-03 24 -5.5287984E-05 -6.0217074E-03 25 -2.3055986E-06 -3.4126622E-03 26 5.5198593E-06 -4.9317829E-04 2P+ 3P+ -2.9844424E+01 -2.8092512E+00 ------------ ------------ 1 2.1437081E-05 -7.7887615E-06 2 2.1826922E-04 -7.9646326E-05 3 1.7175740E-03 -6.2632990E-04 4 9.7652466E-03 -3.5915048E-03 5 4.0289107E-02 -1.5004386E-02 6 1.2178352E-01 -4.6903935E-02 7 2.5865873E-01 -1.0363395E-01 8 3.7209731E-01 -1.5917783E-01 9 2.9541646E-01 -1.0645399E-01 10 8.5252354E-02 1.7533415E-01 11 5.9532756E-03 4.7562464E-01 12 8.3546257E-04 4.1915651E-01 13 1.4390974E-04 1.0079833E-01 14 2.5552142E-05 -9.2719568E-06 15 1.3690923E-04 -4.9913052E-05 16 5.8764551E-04 -2.1406476E-04 17 1.9428086E-03 -7.1387384E-04 18 4.9517784E-03 -1.8425046E-03 19 9.7359788E-03 -3.7468400E-03 20 1.3983584E-02 -5.5989805E-03 21 1.3950913E-02 -5.9647019E-03 22 7.7641420E-03 -2.7972746E-03 23 1.5637624E-03 3.2127384E-03 24 7.4755501E-05 5.9678649E-03 25 6.9310407E-06 3.4786679E-03 26 7.5315737E-07 5.2649868E-04 3D- -4.2243187E-01 ------------ 1 5.3505233E-04 2 4.5781749E-03 3 2.3947821E-02 4 7.6876476E-02 5 1.7306540E-01 6 2.6489418E-01 7 3.0412209E-01 8 2.8438104E-01 9 2.0129847E-01 10 6.8763177E-02 11 8.4978682E-05 12 4.2657751E-04 13 1.3695412E-03 14 2.8576635E-03 15 4.3477492E-03 16 4.5888881E-03 17 3.6290848E-03 18 2.2868925E-03 19 1.0446878E-03 20 2.1590896E-04 3D+ -4.1435772E-01 ------------ 1 -4.8904016E-04 2 -4.4227284E-03 3 -2.3481497E-02 4 -7.5920768E-02 5 -1.7140490E-01 6 -2.6316242E-01 7 -3.0335841E-01 8 -2.8542883E-01 9 -2.0432613E-01 10 -7.1765087E-02 11 -8.1753979E-05 12 -4.1679049E-04 13 -1.3487220E-03 14 -2.8264288E-03 15 -4.3097566E-03 16 -4.5607388E-03 17 -3.6209762E-03 18 -2.2956986E-03 19 -1.0605705E-03 20 -2.2539759E-04 ******************** NICKEL SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.2059279954E+08 0.1000000000E+01 0.1000000000E+01 2 0.3939334363E+07 0.1000000000E+01 0.1000000000E+01 3 0.8678259261E+06 0.1000000000E+01 0.1000000000E+01 4 0.2175431144E+06 0.1000000000E+01 0.1000000000E+01 5 0.6131427963E+05 0.1000000000E+01 0.1000000000E+01 6 0.1919915468E+05 0.1000000000E+01 0.1000000000E+01 7 0.6599444725E+04 0.1000000000E+01 0.1000000000E+01 8 0.2460583550E+04 0.1000000000E+01 0.1000000000E+01 9 0.9832747599E+03 0.1000000000E+01 0.1000000000E+01 10 0.4161197628E+03 0.1000000000E+01 0.1000000000E+01 11 0.1842761335E+03 0.1000000000E+01 0.1000000000E+01 12 0.8437771492E+02 0.1000000000E+01 0.1000000000E+01 13 0.3947253059E+02 0.1000000000E+01 0.1000000000E+01 14 0.1864109172E+02 0.1000000000E+01 0.1000000000E+01 15 0.8781273462E+01 0.1000000000E+01 0.1000000000E+01 16 0.4077125383E+01 0.1000000000E+01 0.1000000000E+01 17 0.1843578614E+01 0.1000000000E+01 0.1000000000E+01 18 0.8021967646E+00 0.1000000000E+01 0.1000000000E+01 19 0.3319039515E+00 0.1000000000E+01 0.1000000000E+01 20 0.1290199395E+00 0.1000000000E+01 0.1000000000E+01 21 0.4656019181E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.3571255933E+05 0.1000000000E+01 0.1000000000E+01 2 0.7736220974E+04 0.1000000000E+01 0.1000000000E+01 3 0.2071601623E+04 0.1000000000E+01 0.1000000000E+01 4 0.6646523954E+03 0.1000000000E+01 0.1000000000E+01 5 0.2476482890E+03 0.1000000000E+01 0.1000000000E+01 6 0.1038651818E+03 0.1000000000E+01 0.1000000000E+01 7 0.4752695668E+02 0.1000000000E+01 0.1000000000E+01 8 0.2299783020E+02 0.1000000000E+01 0.1000000000E+01 9 0.1140649010E+02 0.1000000000E+01 0.1000000000E+01 10 0.5620526121E+01 0.1000000000E+01 0.1000000000E+01 11 0.2666878078E+01 0.1000000000E+01 0.1000000000E+01 12 0.1181060299E+01 0.1000000000E+01 0.1000000000E+01 13 0.4731786813E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.3571255933E+05 0.1000000000E+01 0.1000000000E+01 2 0.7736220974E+04 0.1000000000E+01 0.1000000000E+01 3 0.2071601623E+04 0.1000000000E+01 0.1000000000E+01 4 0.6646523954E+03 0.1000000000E+01 0.1000000000E+01 5 0.2476482890E+03 0.1000000000E+01 0.1000000000E+01 6 0.1038651818E+03 0.1000000000E+01 0.1000000000E+01 7 0.4752695668E+02 0.1000000000E+01 0.1000000000E+01 8 0.2299783020E+02 0.1000000000E+01 0.1000000000E+01 9 0.1140649010E+02 0.1000000000E+01 0.1000000000E+01 10 0.5620526121E+01 0.1000000000E+01 0.1000000000E+01 11 0.2666878078E+01 0.1000000000E+01 0.1000000000E+01 12 0.1181060299E+01 0.1000000000E+01 0.1000000000E+01 13 0.4731786813E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.4325647814E+03 0.1000000000E+01 0.1000000000E+01 2 0.1295554220E+03 0.1000000000E+01 0.1000000000E+01 3 0.4650796008E+02 0.1000000000E+01 0.1000000000E+01 4 0.1917448069E+02 0.1000000000E+01 0.1000000000E+01 5 0.8699652636E+01 0.1000000000E+01 0.1000000000E+01 6 0.4162167525E+01 0.1000000000E+01 0.1000000000E+01 7 0.2012027458E+01 0.1000000000E+01 0.1000000000E+01 8 0.9416777586E+00 0.1000000000E+01 0.1000000000E+01 9 0.4088670813E+00 0.1000000000E+01 0.1000000000E+01 10 0.1578086348E+00 0.1000000000E+01 0.1000000000E+01 D+ 1 0.4325647814E+03 0.1000000000E+01 0.1000000000E+01 2 0.1295554220E+03 0.1000000000E+01 0.1000000000E+01 3 0.4650796008E+02 0.1000000000E+01 0.1000000000E+01 4 0.1917448069E+02 0.1000000000E+01 0.1000000000E+01 5 0.8699652636E+01 0.1000000000E+01 0.1000000000E+01 6 0.4162167525E+01 0.1000000000E+01 0.1000000000E+01 7 0.2012027458E+01 0.1000000000E+01 0.1000000000E+01 8 0.9416777586E+00 0.1000000000E+01 0.1000000000E+01 9 0.4088670813E+00 0.1000000000E+01 0.1000000000E+01 10 0.1578086348E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 4 2 2 0 0 OPEN SHELLS 0 0 0 1 1 NUMBER OF OPEN SHELL CONFG 3 CONF OPEN SHELL OCCUPATION NUMBERS 1 0.0 0.0 0.0 4.0 4.0 2 0.0 0.0 0.0 3.0 5.0 3 0.0 0.0 0.0 2.0 6.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -3.0894918E+02 -3.8645313E+01 -5.0096557E+00 -2.8143808E-01 ------------ ------------ ------------ ------------ 1 -1.0339314E-05 3.2274169E-06 1.2129068E-06 2.5412210E-07 2 -3.0951153E-05 9.6766009E-06 3.6360392E-06 7.6171794E-07 3 -1.2131751E-04 3.8018571E-05 1.4297074E-05 2.9958355E-06 4 -4.3914778E-04 1.3786941E-04 5.1821810E-05 1.0856113E-05 5 -1.5862695E-03 4.9966458E-04 1.8805991E-04 3.9413118E-05 6 -5.4160449E-03 1.7114169E-03 6.4361968E-04 1.3483099E-04 7 -1.7175038E-02 5.4833643E-03 2.0677854E-03 4.3350410E-04 8 -4.9253933E-02 1.6046500E-02 6.0548634E-03 1.2688332E-03 9 -1.2341541E-01 4.2367302E-02 1.6127943E-02 3.3857110E-03 10 -2.5156691E-01 9.6198696E-02 3.6999226E-02 7.7706537E-03 11 -3.6188274E-01 1.7471685E-01 6.9624676E-02 1.4708316E-02 12 -2.7166925E-01 1.8669329E-01 7.7697262E-02 1.6460983E-02 13 -6.3346106E-02 -5.3664916E-02 -2.4206577E-02 -5.0841012E-03 14 -2.3884675E-03 -5.3341307E-01 -3.2739909E-01 -7.3496349E-02 15 -1.2172627E-04 -4.9247019E-01 -4.6115494E-01 -1.0827692E-01 16 -6.1674905E-05 -7.4707564E-02 1.7396557E-01 4.9272728E-02 17 1.2085189E-04 -6.3067858E-03 7.4053250E-01 2.3107814E-01 18 -4.5527714E-05 1.2718172E-03 3.6453122E-01 2.3283236E-01 19 2.4786441E-05 -9.9873596E-04 7.6385137E-03 -4.3174004E-02 20 -9.8755710E-06 3.9854444E-04 3.9107229E-03 -5.9902468E-01 21 2.5827248E-06 -1.0619795E-04 -1.0673265E-03 -5.1645012E-01 22 -3.7229644E-05 1.1606428E-05 4.3623521E-06 9.1405857E-07 23 -1.1301917E-04 3.5210191E-05 1.3221430E-05 2.7693361E-06 24 -3.2365060E-04 1.0092826E-04 3.7940459E-05 7.9502152E-06 25 -8.2319829E-04 2.5658333E-04 9.6344461E-05 2.0179590E-05 26 -1.9193923E-03 5.9956910E-04 2.2546185E-04 4.7247909E-05 27 -4.1221649E-03 1.2904951E-03 4.8474273E-04 1.0153039E-04 28 -8.1848728E-03 2.5886644E-03 9.7514981E-04 2.0441218E-04 29 -1.4883392E-02 4.8040312E-03 1.8106548E-03 3.7937482E-04 30 -2.4080333E-02 8.1949209E-03 3.1164723E-03 6.5415786E-04 31 -3.2312470E-02 1.2256637E-02 4.7096675E-03 9.8901340E-04 32 -3.1132836E-02 1.4921038E-02 5.9415239E-03 1.2550385E-03 33 -1.5866915E-02 1.0837957E-02 4.5085953E-03 9.5514715E-04 34 -2.5332477E-03 -2.1101860E-03 -9.4861651E-04 -1.9910181E-04 35 -6.5801197E-05 -1.4552517E-02 -8.9236483E-03 -2.0030134E-03 36 -2.1073739E-06 -9.2299885E-03 -8.6366034E-03 -2.0277464E-03 37 -8.9577321E-07 -9.5407279E-04 2.2186373E-03 6.2829186E-04 38 1.0986529E-06 -5.4237987E-05 6.3546973E-03 1.9827487E-03 39 -2.8758323E-07 7.2495157E-06 2.0635582E-03 1.3178947E-03 40 1.0379330E-07 -3.6593776E-06 2.7815977E-05 -1.5717529E-04 41 -2.7825521E-08 9.1360614E-07 8.8774572E-06 -1.3597818E-03 42 5.0587187E-09 -1.4727381E-07 -1.4553805E-06 -7.0426074E-04 2P- 3P- -3.3534736E+01 -3.3653596E+00 ------------ ------------ 1 1.4696886E-04 5.4331902E-05 2 4.8562371E-04 1.7994508E-04 3 2.4872643E-03 9.2259006E-04 4 1.1579298E-02 4.3322443E-03 5 4.4321520E-02 1.6803893E-02 6 1.2806881E-01 5.0261760E-02 7 2.6327860E-01 1.0754939E-01 8 3.6790718E-01 1.6034138E-01 9 2.8643372E-01 1.0134403E-01 10 8.3200748E-02 -1.7864431E-01 11 6.1420161E-03 -4.7612607E-01 12 8.1953893E-04 -4.1806381E-01 13 1.0995628E-04 -9.4294851E-02 14 4.0256662E-05 1.4880021E-05 15 1.7949986E-04 6.6595869E-05 16 7.0550619E-04 2.6170689E-04 17 2.2199929E-03 8.3070689E-04 18 5.4831051E-03 2.0788917E-03 19 1.0489042E-02 4.1169422E-03 20 1.4699966E-02 6.0067172E-03 21 1.4341156E-02 6.2529365E-03 22 7.8605463E-03 2.7848633E-03 23 1.5925002E-03 -3.4565782E-03 24 6.6340476E-05 -6.3452413E-03 25 2.5773406E-06 -3.7073950E-03 26 -6.8480001E-06 -5.2991932E-04 2P+ 3P+ -3.2882762E+01 -3.2785278E+00 ------------ ------------ 1 2.0850470E-05 7.7012656E-06 2 2.1767883E-04 8.0749922E-05 3 1.7399713E-03 6.4506672E-04 4 9.9604951E-03 3.7249916E-03 5 4.1057005E-02 1.5553136E-02 6 1.2301370E-01 4.8223410E-02 7 2.5836694E-01 1.0541060E-01 8 3.6805373E-01 1.6037624E-01 9 2.9312027E-01 1.0718175E-01 10 8.8115773E-02 -1.6844522E-01 11 6.7400219E-03 -4.7146735E-01 12 8.7165091E-04 -4.2670000E-01 13 1.1272447E-04 -1.0121318E-01 14 2.5846191E-05 9.5331878E-06 15 1.4193701E-04 5.2601035E-05 16 6.1725063E-04 2.2857214E-04 17 2.0506047E-03 7.6610094E-04 18 5.2197280E-03 1.9754161E-03 19 1.0186495E-02 3.9899018E-03 20 1.4511189E-02 5.9161377E-03 21 1.4398334E-02 6.2701615E-03 22 8.0812563E-03 2.9543457E-03 23 1.7056443E-03 -3.2567621E-03 24 8.9874758E-05 -6.2814978E-03 25 7.7258552E-06 -3.7835645E-03 26 6.3430140E-07 -5.6806939E-04 3D- -6.8561897E-01 ------------ 1 3.5932092E-04 2 3.3920914E-03 3 1.9755758E-02 4 6.8039925E-02 5 1.6157311E-01 6 2.6097731E-01 7 3.0935227E-01 8 2.9237679E-01 9 1.9434155E-01 10 5.7691164E-02 11 6.5958371E-05 12 3.6425701E-04 13 1.2893602E-03 14 2.8670280E-03 15 4.5936143E-03 16 5.1364061E-03 17 4.2343522E-03 18 2.7383035E-03 19 1.1993668E-03 20 2.2113315E-04 3D+ -6.7543935E-01 ------------ 1 3.2017300E-04 2 3.2531578E-03 3 1.9324004E-02 4 6.7162464E-02 5 1.6006792E-01 6 2.5937469E-01 7 3.0868412E-01 8 2.9348939E-01 9 1.9703792E-01 10 5.9773865E-02 11 6.3059026E-05 12 3.5490457E-04 13 1.2684001E-03 14 2.8356562E-03 15 4.5556407E-03 16 5.1075218E-03 17 4.2266225E-03 18 2.7493187E-03 19 1.2162632E-03 20 2.2922807E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -3.0894918E+02 -3.8645313E+01 -5.0096557E+00 -2.8143808E-01 ------------ ------------ ------------ ------------ 1 -1.0340579E-05 3.2278142E-06 1.2130560E-06 2.5415334E-07 2 -3.0952822E-05 9.6771184E-06 3.6362337E-06 7.6175870E-07 3 -1.2131510E-04 3.8017823E-05 1.4296793E-05 2.9957766E-06 4 -4.3915099E-04 1.3787041E-04 5.1822185E-05 1.0856192E-05 5 -1.5862663E-03 4.9966358E-04 1.8805953E-04 3.9413039E-05 6 -5.4160491E-03 1.7114182E-03 6.4362017E-04 1.3483110E-04 7 -1.7175034E-02 5.4833630E-03 2.0677849E-03 4.3350400E-04 8 -4.9253939E-02 1.6046502E-02 6.0548641E-03 1.2688333E-03 9 -1.2341541E-01 4.2367300E-02 1.6127942E-02 3.3857109E-03 10 -2.5156691E-01 9.6198699E-02 3.6999227E-02 7.7706538E-03 11 -3.6188273E-01 1.7471685E-01 6.9624676E-02 1.4708315E-02 12 -2.7166926E-01 1.8669329E-01 7.7697263E-02 1.6460983E-02 13 -6.3346099E-02 -5.3664921E-02 -2.4206579E-02 -5.0841016E-03 14 -2.3884724E-03 -5.3341307E-01 -3.2739909E-01 -7.3496349E-02 15 -1.2172279E-04 -4.9247019E-01 -4.6115494E-01 -1.0827692E-01 16 -6.1677106E-05 -7.4707562E-02 1.7396557E-01 4.9272729E-02 17 1.2085315E-04 -6.3067866E-03 7.4053251E-01 2.3107814E-01 18 -4.5528367E-05 1.2718177E-03 3.6453121E-01 2.3283236E-01 19 2.4786738E-05 -9.9873618E-04 7.6385131E-03 -4.3174008E-02 20 -9.8756875E-06 3.9854453E-04 3.9107230E-03 -5.9902468E-01 21 2.5827454E-06 -1.0619795E-04 -1.0673274E-03 -5.1645011E-01 22 -3.7325397E-05 1.1636270E-05 4.3735635E-06 9.1640734E-07 23 -1.1297874E-04 3.5197595E-05 1.3216697E-05 2.7683446E-06 24 -3.2366949E-04 1.0093415E-04 3.7942670E-05 7.9506784E-06 25 -8.2318956E-04 2.5658061E-04 9.6343440E-05 2.0179376E-05 26 -1.9193976E-03 5.9957076E-04 2.2546247E-04 4.7248040E-05 27 -4.1221620E-03 1.2904942E-03 4.8474240E-04 1.0153032E-04 28 -8.1848751E-03 2.5886651E-03 9.7515007E-04 2.0441223E-04 29 -1.4883391E-02 4.8040308E-03 1.8106546E-03 3.7937479E-04 30 -2.4080335E-02 8.1949213E-03 3.1164724E-03 6.5415788E-04 31 -3.2312470E-02 1.2256637E-02 4.7096674E-03 9.8901338E-04 32 -3.1132837E-02 1.4921038E-02 5.9415239E-03 1.2550386E-03 33 -1.5866914E-02 1.0837957E-02 4.5085952E-03 9.5514713E-04 34 -2.5332481E-03 -2.1101860E-03 -9.4861648E-04 -1.9910181E-04 35 -6.5800865E-05 -1.4552517E-02 -8.9236484E-03 -2.0030134E-03 36 -2.1075982E-06 -9.2299884E-03 -8.6366033E-03 -2.0277464E-03 37 -8.9563265E-07 -9.5407281E-04 2.2186373E-03 6.2829187E-04 38 1.0985719E-06 -5.4237966E-05 6.3546973E-03 1.9827487E-03 39 -2.8754058E-07 7.2495042E-06 2.0635582E-03 1.3178947E-03 40 1.0377274E-07 -3.6593717E-06 2.7815977E-05 -1.5717530E-04 41 -2.7816930E-08 9.1360360E-07 8.8774566E-06 -1.3597818E-03 42 5.0562354E-09 -1.4727304E-07 -1.4553815E-06 -7.0426074E-04 2P- 3P- -3.3534736E+01 -3.3653596E+00 ------------ ------------ 1 1.4696886E-04 5.4331903E-05 2 4.8562371E-04 1.7994508E-04 3 2.4872643E-03 9.2259006E-04 4 1.1579298E-02 4.3322443E-03 5 4.4321520E-02 1.6803893E-02 6 1.2806881E-01 5.0261760E-02 7 2.6327860E-01 1.0754939E-01 8 3.6790718E-01 1.6034138E-01 9 2.8643372E-01 1.0134403E-01 10 8.3200747E-02 -1.7864431E-01 11 6.1420163E-03 -4.7612607E-01 12 8.1953885E-04 -4.1806381E-01 13 1.0995626E-04 -9.4294850E-02 14 4.0256662E-05 1.4880021E-05 15 1.7949986E-04 6.6595869E-05 16 7.0550619E-04 2.6170689E-04 17 2.2199929E-03 8.3070689E-04 18 5.4831051E-03 2.0788917E-03 19 1.0489042E-02 4.1169422E-03 20 1.4699966E-02 6.0067172E-03 21 1.4341156E-02 6.2529365E-03 22 7.8605463E-03 2.7848633E-03 23 1.5925002E-03 -3.4565782E-03 24 6.6340478E-05 -6.3452413E-03 25 2.5773399E-06 -3.7073950E-03 26 -6.8480002E-06 -5.2991932E-04 2P+ 3P+ -3.2882762E+01 -3.2785278E+00 ------------ ------------ 1 2.0850470E-05 7.7012655E-06 2 2.1767883E-04 8.0749922E-05 3 1.7399713E-03 6.4506672E-04 4 9.9604951E-03 3.7249916E-03 5 4.1057005E-02 1.5553136E-02 6 1.2301370E-01 4.8223410E-02 7 2.5836694E-01 1.0541060E-01 8 3.6805373E-01 1.6037624E-01 9 2.9312027E-01 1.0718175E-01 10 8.8115773E-02 -1.6844522E-01 11 6.7400219E-03 -4.7146735E-01 12 8.7165092E-04 -4.2670000E-01 13 1.1272446E-04 -1.0121318E-01 14 2.5846191E-05 9.5331876E-06 15 1.4193701E-04 5.2601035E-05 16 6.1725063E-04 2.2857214E-04 17 2.0506047E-03 7.6610094E-04 18 5.2197280E-03 1.9754161E-03 19 1.0186495E-02 3.9899018E-03 20 1.4511189E-02 5.9161377E-03 21 1.4398334E-02 6.2701615E-03 22 8.0812563E-03 2.9543457E-03 23 1.7056443E-03 -3.2567621E-03 24 8.9874758E-05 -6.2814978E-03 25 7.7258553E-06 -3.7835645E-03 26 6.3430138E-07 -5.6806939E-04 3D- -6.8561897E-01 ------------ 1 3.5932092E-04 2 3.3920914E-03 3 1.9755758E-02 4 6.8039925E-02 5 1.6157311E-01 6 2.6097731E-01 7 3.0935227E-01 8 2.9237679E-01 9 1.9434155E-01 10 5.7691164E-02 11 6.5958371E-05 12 3.6425701E-04 13 1.2893602E-03 14 2.8670280E-03 15 4.5936143E-03 16 5.1364061E-03 17 4.2343522E-03 18 2.7383035E-03 19 1.1993668E-03 20 2.2113315E-04 3D+ -6.7543934E-01 ------------ 1 3.2017300E-04 2 3.2531578E-03 3 1.9324004E-02 4 6.7162464E-02 5 1.6006792E-01 6 2.5937469E-01 7 3.0868412E-01 8 2.9348939E-01 9 1.9703792E-01 10 5.9773865E-02 11 6.3059026E-05 12 3.5490457E-04 13 1.2684001E-03 14 2.8356562E-03 15 4.5556407E-03 16 5.1075218E-03 17 4.2266225E-03 18 2.7493187E-03 19 1.2162632E-03 20 2.2922807E-04 ____________________ SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.2207905973E+08 0.1000000000E+01 0.1000000000E+01 2 0.4080382960E+07 0.1000000000E+01 0.1000000000E+01 3 0.8773249328E+06 0.1000000000E+01 0.1000000000E+01 4 0.2165787239E+06 0.1000000000E+01 0.1000000000E+01 5 0.6057918940E+05 0.1000000000E+01 0.1000000000E+01 6 0.1894698233E+05 0.1000000000E+01 0.1000000000E+01 7 0.6539162708E+04 0.1000000000E+01 0.1000000000E+01 8 0.2457685544E+04 0.1000000000E+01 0.1000000000E+01 9 0.9926796988E+03 0.1000000000E+01 0.1000000000E+01 10 0.4252332308E+03 0.1000000000E+01 0.1000000000E+01 11 0.1906501094E+03 0.1000000000E+01 0.1000000000E+01 12 0.8828670421E+02 0.1000000000E+01 0.1000000000E+01 13 0.4167335927E+02 0.1000000000E+01 0.1000000000E+01 14 0.1978715026E+02 0.1000000000E+01 0.1000000000E+01 15 0.9326659152E+01 0.1000000000E+01 0.1000000000E+01 16 0.4306690359E+01 0.1000000000E+01 0.1000000000E+01 17 0.1922615574E+01 0.1000000000E+01 0.1000000000E+01 18 0.8188966701E+00 0.1000000000E+01 0.1000000000E+01 19 0.3284053113E+00 0.1000000000E+01 0.1000000000E+01 20 0.1223748673E+00 0.1000000000E+01 0.1000000000E+01 21 0.4181497734E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.3607302845E+05 0.1000000000E+01 0.1000000000E+01 2 0.7979958513E+04 0.1000000000E+01 0.1000000000E+01 3 0.2162495751E+04 0.1000000000E+01 0.1000000000E+01 4 0.6966899705E+03 0.1000000000E+01 0.1000000000E+01 5 0.2589682887E+03 0.1000000000E+01 0.1000000000E+01 6 0.1077877520E+03 0.1000000000E+01 0.1000000000E+01 7 0.4875297333E+02 0.1000000000E+01 0.1000000000E+01 8 0.2325598465E+02 0.1000000000E+01 0.1000000000E+01 9 0.1135437817E+02 0.1000000000E+01 0.1000000000E+01 10 0.5506555771E+01 0.1000000000E+01 0.1000000000E+01 11 0.2574410868E+01 0.1000000000E+01 0.1000000000E+01 12 0.1126029777E+01 0.1000000000E+01 0.1000000000E+01 13 0.4471869836E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.3607302845E+05 0.1000000000E+01 0.1000000000E+01 2 0.7979958513E+04 0.1000000000E+01 0.1000000000E+01 3 0.2162495751E+04 0.1000000000E+01 0.1000000000E+01 4 0.6966899705E+03 0.1000000000E+01 0.1000000000E+01 5 0.2589682887E+03 0.1000000000E+01 0.1000000000E+01 6 0.1077877520E+03 0.1000000000E+01 0.1000000000E+01 7 0.4875297333E+02 0.1000000000E+01 0.1000000000E+01 8 0.2325598465E+02 0.1000000000E+01 0.1000000000E+01 9 0.1135437817E+02 0.1000000000E+01 0.1000000000E+01 10 0.5506555771E+01 0.1000000000E+01 0.1000000000E+01 11 0.2574410868E+01 0.1000000000E+01 0.1000000000E+01 12 0.1126029777E+01 0.1000000000E+01 0.1000000000E+01 13 0.4471869836E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.3421361829E+03 0.1000000000E+01 0.1000000000E+01 2 0.1097856105E+03 0.1000000000E+01 0.1000000000E+01 3 0.4080635851E+02 0.1000000000E+01 0.1000000000E+01 4 0.1694082296E+02 0.1000000000E+01 0.1000000000E+01 5 0.7574494428E+01 0.1000000000E+01 0.1000000000E+01 6 0.3517009330E+01 0.1000000000E+01 0.1000000000E+01 7 0.1635243207E+01 0.1000000000E+01 0.1000000000E+01 8 0.7341222552E+00 0.1000000000E+01 0.1000000000E+01 9 0.3068455783E+00 0.1000000000E+01 0.1000000000E+01 10 0.1151396836E+00 0.1000000000E+01 0.1000000000E+01 D+ 1 0.3421361829E+03 0.1000000000E+01 0.1000000000E+01 2 0.1097856105E+03 0.1000000000E+01 0.1000000000E+01 3 0.4080635851E+02 0.1000000000E+01 0.1000000000E+01 4 0.1694082296E+02 0.1000000000E+01 0.1000000000E+01 5 0.7574494428E+01 0.1000000000E+01 0.1000000000E+01 6 0.3517009330E+01 0.1000000000E+01 0.1000000000E+01 7 0.1635243207E+01 0.1000000000E+01 0.1000000000E+01 8 0.7341222552E+00 0.1000000000E+01 0.1000000000E+01 9 0.3068455783E+00 0.1000000000E+01 0.1000000000E+01 10 0.1151396836E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 3 2 2 0 0 OPEN SHELLS 1 0 0 1 1 NUMBER OF OPEN SHELL CONFG 2 CONF OPEN SHELL OCCUPATION NUMBERS 1 1.0 0.0 0.0 4.0 5.0 2 1.0 0.0 0.0 3.0 6.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -3.0872771E+02 -3.8399486E+01 -4.7783868E+00 -2.3816465E-01 ------------ ------------ ------------ ------------ 1 -9.8036500E-06 -3.0602156E-06 -1.1432442E-06 2.0621102E-07 2 -3.0750184E-05 -9.6129392E-06 -3.5913004E-06 6.4767199E-07 3 -1.2147307E-04 -3.8069861E-05 -1.4230203E-05 2.5671352E-06 4 -4.4516302E-04 -1.3974779E-04 -5.2229967E-05 9.4190148E-06 5 -1.6130272E-03 -5.0818028E-04 -1.9009442E-04 3.4300167E-05 6 -5.4910684E-03 -1.7349700E-03 -6.4885646E-04 1.1700658E-04 7 -1.7253298E-02 -5.5103793E-03 -2.0650054E-03 3.7274718E-04 8 -4.8822649E-02 -1.5901914E-02 -5.9679069E-03 1.0764091E-03 9 -1.2063527E-01 -4.1398998E-02 -1.5655786E-02 2.8298975E-03 10 -2.4378876E-01 -9.2793184E-02 -3.5489448E-02 6.4130741E-03 11 -3.5402308E-01 -1.6886266E-01 -6.6689132E-02 1.2127926E-02 12 -2.7920895E-01 -1.8782001E-01 -7.7655875E-02 1.4133014E-02 13 -7.3738563E-02 2.3519935E-02 1.0570649E-02 -1.8147924E-03 14 -2.8954821E-03 5.0108697E-01 2.9561669E-01 -5.6812651E-02 15 -4.6278380E-04 5.2562620E-01 4.7599844E-01 -9.5244944E-02 16 1.2552904E-04 9.5329216E-02 -1.1479746E-01 2.8517900E-02 17 1.3723818E-05 5.1401349E-03 -7.3765447E-01 1.9179267E-01 18 1.2198514E-05 -2.6087433E-04 -3.9816139E-01 1.8759600E-01 19 -1.8268079E-06 5.7068040E-04 -1.4488931E-02 3.4949324E-02 20 6.2840050E-07 -2.1844541E-04 -3.6165422E-03 -5.0188155E-01 21 -2.1119164E-07 5.7246436E-05 7.8710615E-04 -6.3714007E-01 22 -3.5546433E-05 -1.1082801E-05 -4.1402852E-06 7.4689413E-07 23 -1.1231628E-04 -3.4988206E-05 -1.3064157E-05 2.3556056E-06 24 -3.2528121E-04 -1.0144907E-04 -3.7902572E-05 6.8379591E-06 25 -8.3299259E-04 -2.5960724E-04 -9.6935095E-05 1.7477642E-05 26 -1.9431723E-03 -6.0711028E-04 -2.2688713E-04 4.0936593E-05 27 -4.1558348E-03 -1.3008877E-03 -4.8595438E-04 8.7615111E-05 28 -8.1882212E-03 -2.5907135E-03 -9.6980638E-04 1.7503822E-04 29 -1.4744821E-02 -4.7580335E-03 -1.7836702E-03 3.2166411E-04 30 -2.3646241E-02 -8.0444892E-03 -3.0391239E-03 5.4928438E-04 31 -3.1647231E-02 -1.1948517E-02 -4.5655773E-03 8.2491802E-04 32 -3.0972774E-02 -1.4664954E-02 -5.7871721E-03 1.0523481E-03 33 -1.6678581E-02 -1.1150237E-02 -4.6080853E-03 8.3861000E-04 34 -3.0299428E-03 9.3893254E-04 4.1937210E-04 -7.1797937E-05 35 -8.2098027E-05 1.4082742E-02 8.3000741E-03 -1.5949684E-03 36 -8.8411406E-06 1.0152269E-02 9.1867014E-03 -1.8381278E-03 37 1.5802815E-06 1.2513308E-03 -1.5041305E-03 3.7359904E-04 38 1.6036634E-07 4.5124350E-05 -6.4642463E-03 1.6805730E-03 39 5.0359596E-08 -1.5226132E-06 -2.2772514E-03 1.0728387E-03 40 2.1907849E-09 2.0812423E-06 -5.2484848E-05 1.2658264E-04 41 -2.1303592E-09 -4.8843648E-07 -7.9936976E-06 -1.1095391E-03 42 7.4613221E-10 7.5510727E-08 1.0166059E-06 -8.2337581E-04 2P- 3P- -3.3293801E+01 -3.1507260E+00 ------------ ------------ 1 -1.4489871E-04 -5.3172908E-05 2 -4.6101099E-04 -1.6957273E-04 3 -2.3263366E-03 -8.5641062E-04 4 -1.0776430E-02 -4.0006639E-03 5 -4.1769759E-02 -1.5702864E-02 6 -1.2385407E-01 -4.8160202E-02 7 -2.6233221E-01 -1.0620913E-01 8 -3.7506231E-01 -1.6200149E-01 9 -2.9156601E-01 -1.0177924E-01 10 -8.0399321E-02 1.9083642E-01 11 -5.4403491E-03 4.8271938E-01 12 -8.0822594E-04 4.0509378E-01 13 -1.5358439E-04 9.2117834E-02 14 -3.9356560E-05 -1.4439449E-05 15 -1.7128756E-04 -6.3086319E-05 16 -6.6710589E-04 -2.4559929E-04 17 -2.1067540E-03 -7.8224251E-04 18 -5.2752564E-03 -1.9832128E-03 19 -1.0327718E-02 -4.0162917E-03 20 -1.4832361E-02 -6.0068217E-03 21 -1.4701228E-02 -6.3527699E-03 22 -7.9832911E-03 -2.7904279E-03 23 -1.5219711E-03 3.6548118E-03 24 -5.6128610E-05 6.3205846E-03 25 -2.2223621E-06 3.5077078E-03 26 6.2826769E-06 5.0326382E-04 2P+ 3P+ -3.2641298E+01 -3.0643107E+00 ------------ ------------ 1 -2.0256421E-05 -7.4233924E-06 2 -2.0424724E-04 -7.5189767E-05 3 -1.6080339E-03 -5.9144301E-04 4 -9.2233501E-03 -3.4214497E-03 5 -3.8598273E-02 -1.4493156E-02 6 -1.1882707E-01 -4.6137226E-02 7 -2.5727030E-01 -1.0398884E-01 8 -3.7510160E-01 -1.6192320E-01 9 -2.9842409E-01 -1.0769134E-01 10 -8.5253096E-02 1.8041024E-01 11 -5.9525977E-03 4.7839578E-01 12 -8.6378350E-04 4.1379974E-01 13 -1.5733179E-04 9.9064452E-02 14 -2.5192970E-05 -9.2194487E-06 15 -1.3505881E-04 -4.9671062E-05 16 -5.8210080E-04 -2.1385193E-04 17 -1.9426576E-03 -7.1990797E-04 18 -5.0160452E-03 -1.8816338E-03 19 -1.0022121E-02 -3.8880037E-03 20 -1.4633886E-02 -5.9107586E-03 21 -1.4755976E-02 -6.3659821E-03 22 -8.2086835E-03 -2.9616299E-03 23 -1.6334188E-03 3.4526580E-03 24 -7.7986878E-05 6.2623813E-03 25 -7.4752890E-06 3.5826698E-03 26 -8.6025596E-07 5.4051951E-04 3D- -4.5520345E-01 ------------ 1 -5.2542554E-04 2 -4.2679819E-03 3 -2.2927135E-02 4 -7.7149028E-02 5 -1.8013913E-01 6 -2.7756726E-01 7 -3.1045829E-01 8 -2.7829752E-01 9 -1.8737641E-01 10 -6.3249664E-02 11 -8.7136532E-05 12 -4.2361010E-04 13 -1.4030498E-03 14 -3.0569287E-03 15 -4.7796817E-03 16 -5.0222377E-03 17 -3.8311600E-03 18 -2.3014175E-03 19 -1.0017978E-03 20 -2.0711754E-04 3D+ -4.4463472E-01 ------------ 1 -4.7543214E-04 2 -4.1059090E-03 3 -2.2420999E-02 4 -7.6068907E-02 5 -1.7821545E-01 6 -2.7557908E-01 7 -3.0967119E-01 8 -2.7964138E-01 9 -1.9079657E-01 10 -6.6598499E-02 11 -8.3493006E-05 12 -4.1276050E-04 13 -1.3789775E-03 14 -3.0193401E-03 15 -4.7331596E-03 16 -4.9885063E-03 17 -3.8226070E-03 18 -2.3129584E-03 19 -1.0202702E-03 20 -2.1815537E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -3.0872771E+02 -3.8399486E+01 -4.7783869E+00 -2.3816465E-01 ------------ ------------ ------------ ------------ 1 9.8051892E-06 -3.0606983E-06 1.1434245E-06 2.0624349E-07 2 3.0751757E-05 -9.6134266E-06 3.5914824E-06 6.4770470E-07 3 1.2147075E-04 -3.8069141E-05 1.4229934E-05 2.5670865E-06 4 4.4516618E-04 -1.3974877E-04 5.2230334E-05 9.4190801E-06 5 1.6130241E-03 -5.0817929E-04 1.9009406E-04 3.4300098E-05 6 5.4910726E-03 -1.7349714E-03 6.4885695E-04 1.1700666E-04 7 1.7253294E-02 -5.5103780E-03 2.0650049E-03 3.7274706E-04 8 4.8822655E-02 -1.5901916E-02 5.9679076E-03 1.0764091E-03 9 1.2063527E-01 -4.1398996E-02 1.5655786E-02 2.8298971E-03 10 2.4378877E-01 -9.2793187E-02 3.5489449E-02 6.4130734E-03 11 3.5402307E-01 -1.6886266E-01 6.6689131E-02 1.2127924E-02 12 2.7920895E-01 -1.8782001E-01 7.7655876E-02 1.4133012E-02 13 7.3738555E-02 2.3519941E-02 -1.0570650E-02 -1.8147919E-03 14 2.8954869E-03 5.0108697E-01 -2.9561670E-01 -5.6812646E-02 15 4.6278041E-04 5.2562621E-01 -4.7599844E-01 -9.5244933E-02 16 -1.2552699E-04 9.5329211E-02 1.1479746E-01 2.8517902E-02 17 -1.3724899E-05 5.1401403E-03 7.3765448E-01 1.9179263E-01 18 -1.2198003E-05 -2.6087889E-04 3.9816138E-01 1.8759602E-01 19 1.8265825E-06 5.7068222E-04 1.4488930E-02 3.4949215E-02 20 -6.2831417E-07 -2.1844454E-04 3.6165485E-03 -5.0188122E-01 21 2.1117046E-07 5.7245441E-05 -7.8711060E-04 -6.3714031E-01 22 3.5648602E-05 -1.1114643E-05 4.1521777E-06 7.4903895E-07 23 1.1227496E-04 -3.4975329E-05 1.3059348E-05 2.3547378E-06 24 3.2530023E-04 -1.0145500E-04 3.7904786E-05 6.8383576E-06 25 8.3298391E-04 -2.5960453E-04 9.6934085E-05 1.7477458E-05 26 1.9431777E-03 -6.0711195E-04 2.2688775E-04 4.0936702E-05 27 4.1558319E-03 -1.3008868E-03 4.8595405E-04 8.7615039E-05 28 8.1882235E-03 -2.5907143E-03 9.6980666E-04 1.7503825E-04 29 1.4744820E-02 -4.7580330E-03 1.7836700E-03 3.2166404E-04 30 2.3646242E-02 -8.0444896E-03 3.0391241E-03 5.4928435E-04 31 3.1647230E-02 -1.1948517E-02 4.5655772E-03 8.2491790E-04 32 3.0972775E-02 -1.4664954E-02 5.7871722E-03 1.0523480E-03 33 1.6678580E-02 -1.1150237E-02 4.6080852E-03 8.3860987E-04 34 3.0299433E-03 9.3893253E-04 -4.1937208E-04 -7.1797908E-05 35 8.2097674E-05 1.4082742E-02 -8.3000742E-03 -1.5949683E-03 36 8.8413731E-06 1.0152269E-02 -9.1867014E-03 -1.8381276E-03 37 -1.5804221E-06 1.2513308E-03 1.5041305E-03 3.7359906E-04 38 -1.6028868E-07 4.5124369E-05 6.4642463E-03 1.6805726E-03 39 -5.0398729E-08 -1.5226241E-06 2.2772513E-03 1.0728388E-03 40 -2.1728352E-09 2.0812413E-06 5.2484845E-05 1.2658225E-04 41 2.1230802E-09 -4.8843179E-07 7.9937107E-06 -1.1095384E-03 42 -7.4399837E-10 7.5508614E-08 -1.0166115E-06 -8.2337612E-04 2P- 3P- -3.3293801E+01 -3.1507260E+00 ------------ ------------ 1 -1.4489871E-04 -5.3172909E-05 2 -4.6101099E-04 -1.6957273E-04 3 -2.3263366E-03 -8.5641062E-04 4 -1.0776430E-02 -4.0006639E-03 5 -4.1769759E-02 -1.5702864E-02 6 -1.2385407E-01 -4.8160202E-02 7 -2.6233221E-01 -1.0620913E-01 8 -3.7506231E-01 -1.6200149E-01 9 -2.9156601E-01 -1.0177924E-01 10 -8.0399321E-02 1.9083642E-01 11 -5.4403491E-03 4.8271938E-01 12 -8.0822597E-04 4.0509378E-01 13 -1.5358440E-04 9.2117835E-02 14 -3.9356560E-05 -1.4439448E-05 15 -1.7128756E-04 -6.3086319E-05 16 -6.6710589E-04 -2.4559929E-04 17 -2.1067540E-03 -7.8224250E-04 18 -5.2752564E-03 -1.9832128E-03 19 -1.0327718E-02 -4.0162917E-03 20 -1.4832361E-02 -6.0068217E-03 21 -1.4701228E-02 -6.3527699E-03 22 -7.9832911E-03 -2.7904279E-03 23 -1.5219711E-03 3.6548118E-03 24 -5.6128609E-05 6.3205845E-03 25 -2.2223624E-06 3.5077078E-03 26 6.2826769E-06 5.0326383E-04 2P+ 3P+ -3.2641298E+01 -3.0643107E+00 ------------ ------------ 1 -2.0256421E-05 -7.4233923E-06 2 -2.0424724E-04 -7.5189767E-05 3 -1.6080339E-03 -5.9144301E-04 4 -9.2233501E-03 -3.4214497E-03 5 -3.8598273E-02 -1.4493156E-02 6 -1.1882707E-01 -4.6137226E-02 7 -2.5727030E-01 -1.0398884E-01 8 -3.7510160E-01 -1.6192320E-01 9 -2.9842409E-01 -1.0769134E-01 10 -8.5253096E-02 1.8041024E-01 11 -5.9525977E-03 4.7839578E-01 12 -8.6378348E-04 4.1379974E-01 13 -1.5733180E-04 9.9064452E-02 14 -2.5192969E-05 -9.2194486E-06 15 -1.3505881E-04 -4.9671062E-05 16 -5.8210080E-04 -2.1385193E-04 17 -1.9426576E-03 -7.1990797E-04 18 -5.0160452E-03 -1.8816338E-03 19 -1.0022121E-02 -3.8880037E-03 20 -1.4633886E-02 -5.9107585E-03 21 -1.4755976E-02 -6.3659821E-03 22 -8.2086835E-03 -2.9616299E-03 23 -1.6334188E-03 3.4526580E-03 24 -7.7986878E-05 6.2623813E-03 25 -7.4752888E-06 3.5826698E-03 26 -8.6025599E-07 5.4051951E-04 3D- -4.5520346E-01 ------------ 1 -5.2542554E-04 2 -4.2679819E-03 3 -2.2927135E-02 4 -7.7149028E-02 5 -1.8013913E-01 6 -2.7756726E-01 7 -3.1045829E-01 8 -2.7829752E-01 9 -1.8737641E-01 10 -6.3249662E-02 11 -8.7136532E-05 12 -4.2361010E-04 13 -1.4030498E-03 14 -3.0569287E-03 15 -4.7796817E-03 16 -5.0222377E-03 17 -3.8311600E-03 18 -2.3014175E-03 19 -1.0017978E-03 20 -2.0711753E-04 3D+ -4.4463474E-01 ------------ 1 -4.7543214E-04 2 -4.1059090E-03 3 -2.2420999E-02 4 -7.6068907E-02 5 -1.7821545E-01 6 -2.7557908E-01 7 -3.0967119E-01 8 -2.7964138E-01 9 -1.9079657E-01 10 -6.6598498E-02 11 -8.3493006E-05 12 -4.1276050E-04 13 -1.3789775E-03 14 -3.0193401E-03 15 -4.7331596E-03 16 -4.9885063E-03 17 -3.8226070E-03 18 -2.3129584E-03 19 -1.0202702E-03 20 -2.1815537E-04 ******************** COPPER SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.2127255449E+08 0.1000000000E+01 0.1000000000E+01 2 0.4065874207E+07 0.1000000000E+01 0.1000000000E+01 3 0.8971508971E+06 0.1000000000E+01 0.1000000000E+01 4 0.2257331876E+06 0.1000000000E+01 0.1000000000E+01 5 0.6397124307E+05 0.1000000000E+01 0.1000000000E+01 6 0.2016855197E+05 0.1000000000E+01 0.1000000000E+01 7 0.6987250232E+04 0.1000000000E+01 0.1000000000E+01 8 0.2627366273E+04 0.1000000000E+01 0.1000000000E+01 9 0.1059153209E+04 0.1000000000E+01 0.1000000000E+01 10 0.4521285067E+03 0.1000000000E+01 0.1000000000E+01 11 0.2018696492E+03 0.1000000000E+01 0.1000000000E+01 12 0.9311664007E+02 0.1000000000E+01 0.1000000000E+01 13 0.4383003247E+02 0.1000000000E+01 0.1000000000E+01 14 0.2079436251E+02 0.1000000000E+01 0.1000000000E+01 15 0.9821772000E+01 0.1000000000E+01 0.1000000000E+01 16 0.4561898323E+01 0.1000000000E+01 0.1000000000E+01 17 0.2058040732E+01 0.1000000000E+01 0.1000000000E+01 18 0.8907504255E+00 0.1000000000E+01 0.1000000000E+01 19 0.3653363749E+00 0.1000000000E+01 0.1000000000E+01 20 0.1402509114E+00 0.1000000000E+01 0.1000000000E+01 21 0.4977777329E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.4404416285E+05 0.1000000000E+01 0.1000000000E+01 2 0.9514682989E+04 0.1000000000E+01 0.1000000000E+01 3 0.2530325972E+04 0.1000000000E+01 0.1000000000E+01 4 0.8035908742E+03 0.1000000000E+01 0.1000000000E+01 5 0.2956446863E+03 0.1000000000E+01 0.1000000000E+01 6 0.1222311516E+03 0.1000000000E+01 0.1000000000E+01 7 0.5508973202E+02 0.1000000000E+01 0.1000000000E+01 8 0.2625648174E+02 0.1000000000E+01 0.1000000000E+01 9 0.1283747781E+02 0.1000000000E+01 0.1000000000E+01 10 0.6245976813E+01 0.1000000000E+01 0.1000000000E+01 11 0.2933585179E+01 0.1000000000E+01 0.1000000000E+01 12 0.1290253058E+01 0.1000000000E+01 0.1000000000E+01 13 0.5155005544E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.4404416285E+05 0.1000000000E+01 0.1000000000E+01 2 0.9514682989E+04 0.1000000000E+01 0.1000000000E+01 3 0.2530325972E+04 0.1000000000E+01 0.1000000000E+01 4 0.8035908742E+03 0.1000000000E+01 0.1000000000E+01 5 0.2956446863E+03 0.1000000000E+01 0.1000000000E+01 6 0.1222311516E+03 0.1000000000E+01 0.1000000000E+01 7 0.5508973202E+02 0.1000000000E+01 0.1000000000E+01 8 0.2625648174E+02 0.1000000000E+01 0.1000000000E+01 9 0.1283747781E+02 0.1000000000E+01 0.1000000000E+01 10 0.6245976813E+01 0.1000000000E+01 0.1000000000E+01 11 0.2933585179E+01 0.1000000000E+01 0.1000000000E+01 12 0.1290253058E+01 0.1000000000E+01 0.1000000000E+01 13 0.5155005544E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.4424892568E+03 0.1000000000E+01 0.1000000000E+01 2 0.1353235337E+03 0.1000000000E+01 0.1000000000E+01 3 0.4935411966E+02 0.1000000000E+01 0.1000000000E+01 4 0.2058381547E+02 0.1000000000E+01 0.1000000000E+01 5 0.9413554696E+01 0.1000000000E+01 0.1000000000E+01 6 0.4526678296E+01 0.1000000000E+01 0.1000000000E+01 7 0.2194707924E+01 0.1000000000E+01 0.1000000000E+01 8 0.1028768984E+01 0.1000000000E+01 0.1000000000E+01 9 0.4470704163E+00 0.1000000000E+01 0.1000000000E+01 10 0.1727125326E+00 0.1000000000E+01 0.1000000000E+01 D+ 1 0.4424892568E+03 0.1000000000E+01 0.1000000000E+01 2 0.1353235337E+03 0.1000000000E+01 0.1000000000E+01 3 0.4935411966E+02 0.1000000000E+01 0.1000000000E+01 4 0.2058381547E+02 0.1000000000E+01 0.1000000000E+01 5 0.9413554696E+01 0.1000000000E+01 0.1000000000E+01 6 0.4526678296E+01 0.1000000000E+01 0.1000000000E+01 7 0.2194707924E+01 0.1000000000E+01 0.1000000000E+01 8 0.1028768984E+01 0.1000000000E+01 0.1000000000E+01 9 0.4470704163E+00 0.1000000000E+01 0.1000000000E+01 10 0.1727125326E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 4 2 2 0 0 OPEN SHELLS 0 0 0 1 1 NUMBER OF OPEN SHELL CONFG 2 CONF OPEN SHELL OCCUPATION NUMBERS 1 0.0 0.0 0.0 4.0 5.0 2 0.0 0.0 0.0 3.0 6.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -3.3288623E+02 -4.1928320E+01 -5.3981309E+00 -2.9001871E-01 ------------ ------------ ------------ ------------ 1 1.1359436E-05 -3.5660665E-06 -1.3462731E-06 -2.7735687E-07 2 3.3953355E-05 -1.0676437E-05 -4.0302950E-06 -8.3026390E-07 3 1.3133052E-04 -4.1399807E-05 -1.5639391E-05 -3.2223441E-06 4 4.6800618E-04 -1.4781800E-04 -5.5822194E-05 -1.1499941E-05 5 1.6635263E-03 -5.2729315E-04 -1.9936406E-04 -4.1082975E-05 6 5.5895294E-03 -1.7774993E-03 -6.7166665E-04 -1.3837523E-04 7 1.7454946E-02 -5.6099298E-03 -2.1252242E-03 -4.3807607E-04 8 4.9331475E-02 -1.6177500E-02 -6.1341459E-03 -1.2642191E-03 9 1.2208595E-01 -4.2181731E-02 -1.6131171E-02 -3.3294208E-03 10 2.4700042E-01 -9.4859813E-02 -3.6664069E-02 -7.5737656E-03 11 3.5682322E-01 -1.7213807E-01 -6.8862574E-02 -1.4298642E-02 12 2.7561457E-01 -1.8795134E-01 -7.8581407E-02 -1.6383565E-02 13 6.9144476E-02 3.8375361E-02 1.7424336E-02 3.6031306E-03 14 2.5924936E-03 5.1837896E-01 3.1626275E-01 6.9620709E-02 15 3.1594912E-04 5.0841324E-01 4.7049549E-01 1.0859633E-01 16 -5.1002432E-05 8.5189706E-02 -1.4624473E-01 -4.1566855E-02 17 -5.5073216E-05 5.8314867E-03 -7.4063281E-01 -2.2453283E-01 18 1.0707165E-05 -7.9906936E-04 -3.8144033E-01 -2.3125872E-01 19 -8.4974308E-06 7.9436838E-04 -9.9379026E-03 3.1354654E-02 20 3.4072581E-06 -3.1356389E-04 -3.7788858E-03 5.8570459E-01 21 -8.9955673E-07 8.4041413E-05 1.0444529E-03 5.3448677E-01 22 3.9649663E-05 -1.2431054E-05 -4.6933120E-06 -9.6695567E-07 23 1.2144843E-04 -3.8049123E-05 -1.4353883E-05 -2.9566182E-06 24 3.4648539E-04 -1.0866475E-04 -4.1031681E-05 -8.4539929E-06 25 8.7670819E-04 -2.7480434E-04 -1.0366745E-04 -2.1353127E-05 26 2.0304880E-03 -6.3793774E-04 -2.4096370E-04 -4.9650217E-05 27 4.3271998E-03 -1.3624743E-03 -5.1418684E-04 -1.0591312E-04 28 8.5209694E-03 -2.7111875E-03 -1.0258945E-03 -2.1144011E-04 29 1.5366145E-02 -4.9891067E-03 -1.8894404E-03 -3.8934199E-04 30 2.4693719E-02 -8.4524742E-03 -3.2289192E-03 -6.6635004E-04 31 3.3057138E-02 -1.2585312E-02 -4.8594110E-03 -1.0036874E-03 32 3.2132522E-02 -1.5379133E-02 -6.1472008E-03 -1.2762746E-03 33 1.6916911E-02 -1.1460483E-02 -4.7892811E-03 -9.9846977E-04 34 2.9153924E-03 1.5822226E-03 7.1502036E-04 1.4771654E-04 35 7.5451655E-05 1.4935709E-02 9.1028207E-03 2.0036148E-03 36 6.1137976E-06 1.0078013E-02 9.3187594E-03 2.1507807E-03 37 -5.9152308E-07 1.1509264E-03 -1.9724632E-03 -5.6053652E-04 38 -5.5617145E-07 5.2989545E-05 -6.7150768E-03 -2.0355521E-03 39 9.1612175E-08 -4.8144328E-06 -2.2753541E-03 -1.3793445E-03 40 -4.5113210E-08 3.0566486E-06 -3.7969601E-05 1.1975275E-04 41 1.3137412E-08 -7.5069305E-07 -8.9431295E-06 1.3862051E-03 42 -2.7229654E-09 1.2086806E-07 1.4723923E-06 7.5362002E-04 2P- 3P- -3.6571583E+01 -3.6559103E+00 ------------ ------------ 1 -1.4077591E-04 5.2425296E-05 2 -4.3976793E-04 1.6413423E-04 3 -2.1628599E-03 8.0794288E-04 4 -1.0001731E-02 3.7668059E-03 5 -3.9177921E-02 1.4934193E-02 6 -1.1798250E-01 4.6487119E-02 7 -2.5471445E-01 1.0451368E-01 8 -3.7249760E-01 1.6298926E-01 9 -3.0104854E-01 1.1091030E-01 10 -8.9052717E-02 -1.7534615E-01 11 -6.4621754E-03 -4.8083584E-01 12 -8.9375194E-04 -4.1833572E-01 13 -1.1489985E-04 -9.3759706E-02 14 -3.7417380E-05 1.3931946E-05 15 -1.6443073E-04 6.1460741E-05 16 -6.4683193E-04 2.4164735E-04 17 -2.0711138E-03 7.8017139E-04 18 -5.2592770E-03 2.0048258E-03 19 -1.0454487E-02 4.1196646E-03 20 -1.5294987E-02 6.2776781E-03 21 -1.5507368E-02 6.7885351E-03 22 -8.7627984E-03 3.2328855E-03 23 -1.7958597E-03 -3.5767848E-03 24 -7.2654080E-05 -6.7208921E-03 25 -2.7932803E-06 -3.8775746E-03 26 7.7643354E-06 -5.5002590E-04 2P+ 3P+ -3.5808105E+01 -3.5531983E+00 ------------ ------------ 1 -1.7046030E-05 -6.3411049E-06 2 -1.7692536E-04 -6.6116642E-05 3 -1.4281079E-03 -5.3313180E-04 4 -8.3926896E-03 -3.1591744E-03 5 -3.5872735E-02 -1.3660776E-02 6 -1.1264980E-01 -4.4328294E-02 7 -2.4915697E-01 -1.0208329E-01 8 -3.7212312E-01 -1.6273839E-01 9 -3.0820264E-01 -1.1703727E-01 10 -9.4587076E-02 1.6411080E-01 11 -7.1341750E-03 4.7570511E-01 12 -9.5459215E-04 4.2767141E-01 13 -1.1786451E-04 1.0123424E-01 14 -2.2773543E-05 -8.4586904E-06 15 -1.2612002E-04 -4.7081677E-05 16 -5.5584048E-04 -2.0724023E-04 17 -1.8930251E-03 -7.1177990E-04 18 -4.9742228E-03 -1.8922281E-03 19 -1.0111422E-02 -3.9751743E-03 20 -1.5061595E-02 -6.1660412E-03 21 -1.5553436E-02 -6.7973565E-03 22 -9.0145566E-03 -3.4222493E-03 23 -1.9302284E-03 3.3446147E-03 24 -9.9777505E-05 6.6473161E-03 25 -8.8447827E-06 3.9636194E-03 26 -6.9210536E-07 5.9305722E-04 3D- -7.2837204E-01 ------------ 1 -4.1285376E-04 2 -3.6967416E-03 3 -2.0843261E-02 4 -7.0565991E-02 5 -1.6503486E-01 6 -2.6268578E-01 7 -3.0809565E-01 8 -2.8859148E-01 9 -1.9142936E-01 10 -5.7845743E-02 11 -7.6457438E-05 12 -4.0538173E-04 13 -1.4005636E-03 14 -3.0801427E-03 15 -4.8801377E-03 16 -5.3913785E-03 17 -4.4042553E-03 18 -2.8250112E-03 19 -1.2353231E-03 20 -2.3194976E-04 3D+ -7.1545279E-01 ------------ 1 -3.6624744E-04 2 -3.5369471E-03 3 -2.0350797E-02 4 -6.9568363E-02 5 -1.6333968E-01 6 -2.6091632E-01 7 -3.0736659E-01 8 -2.8984130E-01 9 -1.9445544E-01 10 -6.0269659E-02 11 -7.2894346E-05 12 -3.9421570E-04 13 -1.3757776E-03 14 -3.0430024E-03 15 -4.8355803E-03 16 -5.3580878E-03 17 -4.3954739E-03 18 -2.8379232E-03 19 -1.2551475E-03 20 -2.4179778E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -3.3288623E+02 -4.1928320E+01 -5.3981309E+00 -2.9001871E-01 ------------ ------------ ------------ ------------ 1 -1.1361392E-05 -3.5666835E-06 -1.3465060E-06 -2.7740483E-07 2 -3.3955143E-05 -1.0676994E-05 -4.0305052E-06 -8.3030722E-07 3 -1.3132778E-04 -4.1398952E-05 -1.5639068E-05 -3.2222777E-06 4 -4.6800999E-04 -1.4781919E-04 -5.5822644E-05 -1.1500034E-05 5 -1.6635225E-03 -5.2729196E-04 -1.9936362E-04 -4.1082883E-05 6 -5.5895345E-03 -1.7775009E-03 -6.7166726E-04 -1.3837536E-04 7 -1.7454942E-02 -5.6099283E-03 -2.1252236E-03 -4.3807596E-04 8 -4.9331482E-02 -1.6177502E-02 -6.1341468E-03 -1.2642193E-03 9 -1.2208594E-01 -4.2181729E-02 -1.6131170E-02 -3.3294207E-03 10 -2.4700042E-01 -9.4859816E-02 -3.6664070E-02 -7.5737660E-03 11 -3.5682321E-01 -1.7213807E-01 -6.8862572E-02 -1.4298643E-02 12 -2.7561458E-01 -1.8795134E-01 -7.8581408E-02 -1.6383565E-02 13 -6.9144467E-02 3.8375367E-02 1.7424341E-02 3.6031311E-03 14 -2.5924995E-03 5.1837896E-01 3.1626275E-01 6.9620710E-02 15 -3.1594493E-04 5.0841324E-01 4.7049550E-01 1.0859633E-01 16 5.0999815E-05 8.5189703E-02 -1.4624474E-01 -4.1566857E-02 17 5.5074688E-05 5.8314876E-03 -7.4063280E-01 -2.2453283E-01 18 -1.0707921E-05 -7.9906988E-04 -3.8144033E-01 -2.3125872E-01 19 8.4977753E-06 7.9436865E-04 -9.9379027E-03 3.1354662E-02 20 -3.4073928E-06 -3.1356400E-04 -3.7788857E-03 5.8570459E-01 21 8.9958630E-07 8.4041481E-05 1.0444497E-03 5.3448677E-01 22 -3.9769141E-05 -1.2468499E-05 -4.7074444E-06 -9.6986707E-07 23 -1.2139825E-04 -3.8033398E-05 -1.4347948E-05 -2.9553957E-06 24 -3.4650901E-04 -1.0867215E-04 -4.1034474E-05 -8.4545685E-06 25 -8.7669726E-04 -2.7480092E-04 -1.0366616E-04 -2.1352862E-05 26 -2.0304948E-03 -6.3793987E-04 -2.4096450E-04 -4.9650383E-05 27 -4.3271961E-03 -1.3624731E-03 -5.1418641E-04 -1.0591303E-04 28 -8.5209724E-03 -2.7111884E-03 -1.0258948E-03 -2.1144019E-04 29 -1.5366143E-02 -4.9891062E-03 -1.8894403E-03 -3.8934196E-04 30 -2.4693720E-02 -8.4524747E-03 -3.2289193E-03 -6.6635009E-04 31 -3.3057137E-02 -1.2585312E-02 -4.8594109E-03 -1.0036874E-03 32 -3.2132523E-02 -1.5379133E-02 -6.1472009E-03 -1.2762747E-03 33 -1.6916910E-02 -1.1460483E-02 -4.7892810E-03 -9.9846976E-04 34 -2.9153930E-03 1.5822225E-03 7.1502047E-04 1.4771654E-04 35 -7.5451216E-05 1.4935709E-02 9.1028207E-03 2.0036149E-03 36 -6.1140910E-06 1.0078013E-02 9.3187595E-03 2.1507807E-03 37 5.9170423E-07 1.1509264E-03 -1.9724633E-03 -5.6053654E-04 38 5.5606893E-07 5.2989517E-05 -6.7150768E-03 -2.0355521E-03 39 -9.1559023E-08 -4.8144181E-06 -2.2753541E-03 -1.3793446E-03 40 4.5088020E-08 3.0566415E-06 -3.7969606E-05 1.1975278E-04 41 -1.3126999E-08 -7.5069008E-07 -8.9431272E-06 1.3862051E-03 42 2.7199383E-09 1.2086719E-07 1.4723874E-06 7.5362002E-04 2P- 3P- -3.6571583E+01 -3.6559103E+00 ------------ ------------ 1 -1.4077591E-04 5.2425297E-05 2 -4.3976793E-04 1.6413423E-04 3 -2.1628599E-03 8.0794288E-04 4 -1.0001731E-02 3.7668059E-03 5 -3.9177921E-02 1.4934193E-02 6 -1.1798250E-01 4.6487119E-02 7 -2.5471445E-01 1.0451368E-01 8 -3.7249760E-01 1.6298926E-01 9 -3.0104854E-01 1.1091030E-01 10 -8.9052717E-02 -1.7534615E-01 11 -6.4621755E-03 -4.8083584E-01 12 -8.9375191E-04 -4.1833572E-01 13 -1.1489984E-04 -9.3759706E-02 14 -3.7417380E-05 1.3931946E-05 15 -1.6443073E-04 6.1460741E-05 16 -6.4683193E-04 2.4164735E-04 17 -2.0711138E-03 7.8017138E-04 18 -5.2592770E-03 2.0048258E-03 19 -1.0454487E-02 4.1196646E-03 20 -1.5294987E-02 6.2776781E-03 21 -1.5507368E-02 6.7885351E-03 22 -8.7627984E-03 3.2328855E-03 23 -1.7958597E-03 -3.5767848E-03 24 -7.2654081E-05 -6.7208921E-03 25 -2.7932801E-06 -3.8775746E-03 26 7.7643355E-06 -5.5002590E-04 2P+ 3P+ -3.5808105E+01 -3.5531983E+00 ------------ ------------ 1 -1.7046030E-05 -6.3411047E-06 2 -1.7692536E-04 -6.6116642E-05 3 -1.4281079E-03 -5.3313180E-04 4 -8.3926896E-03 -3.1591744E-03 5 -3.5872735E-02 -1.3660776E-02 6 -1.1264980E-01 -4.4328294E-02 7 -2.4915697E-01 -1.0208329E-01 8 -3.7212312E-01 -1.6273839E-01 9 -3.0820264E-01 -1.1703727E-01 10 -9.4587076E-02 1.6411080E-01 11 -7.1341752E-03 4.7570511E-01 12 -9.5459197E-04 4.2767141E-01 13 -1.1786456E-04 1.0123424E-01 14 -2.2773542E-05 -8.4586902E-06 15 -1.2612002E-04 -4.7081677E-05 16 -5.5584048E-04 -2.0724023E-04 17 -1.8930251E-03 -7.1177990E-04 18 -4.9742228E-03 -1.8922281E-03 19 -1.0111422E-02 -3.9751743E-03 20 -1.5061595E-02 -6.1660412E-03 21 -1.5553436E-02 -6.7973565E-03 22 -9.0145566E-03 -3.4222493E-03 23 -1.9302284E-03 3.3446147E-03 24 -9.9777507E-05 6.6473161E-03 25 -8.8447812E-06 3.9636194E-03 26 -6.9210565E-07 5.9305722E-04 3D- -7.2837203E-01 ------------ 1 -4.1285376E-04 2 -3.6967416E-03 3 -2.0843261E-02 4 -7.0565991E-02 5 -1.6503486E-01 6 -2.6268578E-01 7 -3.0809565E-01 8 -2.8859148E-01 9 -1.9142936E-01 10 -5.7845743E-02 11 -7.6457438E-05 12 -4.0538173E-04 13 -1.4005636E-03 14 -3.0801427E-03 15 -4.8801377E-03 16 -5.3913785E-03 17 -4.4042553E-03 18 -2.8250112E-03 19 -1.2353231E-03 20 -2.3194976E-04 3D+ -7.1545279E-01 ------------ 1 -3.6624744E-04 2 -3.5369471E-03 3 -2.0350797E-02 4 -6.9568363E-02 5 -1.6333968E-01 6 -2.6091632E-01 7 -3.0736659E-01 8 -2.8984130E-01 9 -1.9445544E-01 10 -6.0269659E-02 11 -7.2894346E-05 12 -3.9421570E-04 13 -1.3757776E-03 14 -3.0430024E-03 15 -4.8355803E-03 16 -5.3580878E-03 17 -4.3954739E-03 18 -2.8379232E-03 19 -1.2551475E-03 20 -2.4179778E-04 ____________________ SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.2181663277E+08 0.1000000000E+01 0.1000000000E+01 2 0.4160661003E+07 0.1000000000E+01 0.1000000000E+01 3 0.9158663753E+06 0.1000000000E+01 0.1000000000E+01 4 0.2298271819E+06 0.1000000000E+01 0.1000000000E+01 5 0.6493434833E+05 0.1000000000E+01 0.1000000000E+01 6 0.2040120038E+05 0.1000000000E+01 0.1000000000E+01 7 0.7039623302E+04 0.1000000000E+01 0.1000000000E+01 8 0.2634874324E+04 0.1000000000E+01 0.1000000000E+01 9 0.1056553518E+04 0.1000000000E+01 0.1000000000E+01 10 0.4482791378E+03 0.1000000000E+01 0.1000000000E+01 11 0.1987628938E+03 0.1000000000E+01 0.1000000000E+01 12 0.9096119828E+02 0.1000000000E+01 0.1000000000E+01 13 0.4243414308E+02 0.1000000000E+01 0.1000000000E+01 14 0.1993046468E+02 0.1000000000E+01 0.1000000000E+01 15 0.9308216164E+01 0.1000000000E+01 0.1000000000E+01 16 0.4269400208E+01 0.1000000000E+01 0.1000000000E+01 17 0.1899428574E+01 0.1000000000E+01 0.1000000000E+01 18 0.8095414384E+00 0.1000000000E+01 0.1000000000E+01 19 0.3264521557E+00 0.1000000000E+01 0.1000000000E+01 20 0.1230179995E+00 0.1000000000E+01 0.1000000000E+01 21 0.4278492406E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.3903931661E+05 0.1000000000E+01 0.1000000000E+01 2 0.8698937845E+04 0.1000000000E+01 0.1000000000E+01 3 0.2366106282E+04 0.1000000000E+01 0.1000000000E+01 4 0.7630176900E+03 0.1000000000E+01 0.1000000000E+01 5 0.2833320087E+03 0.1000000000E+01 0.1000000000E+01 6 0.1176645633E+03 0.1000000000E+01 0.1000000000E+01 7 0.5307782098E+02 0.1000000000E+01 0.1000000000E+01 8 0.2525958274E+02 0.1000000000E+01 0.1000000000E+01 9 0.1231723665E+02 0.1000000000E+01 0.1000000000E+01 10 0.5977268485E+01 0.1000000000E+01 0.1000000000E+01 11 0.2803644498E+01 0.1000000000E+01 0.1000000000E+01 12 0.1234531470E+01 0.1000000000E+01 0.1000000000E+01 13 0.4956427569E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.3903931661E+05 0.1000000000E+01 0.1000000000E+01 2 0.8698937845E+04 0.1000000000E+01 0.1000000000E+01 3 0.2366106282E+04 0.1000000000E+01 0.1000000000E+01 4 0.7630176900E+03 0.1000000000E+01 0.1000000000E+01 5 0.2833320087E+03 0.1000000000E+01 0.1000000000E+01 6 0.1176645633E+03 0.1000000000E+01 0.1000000000E+01 7 0.5307782098E+02 0.1000000000E+01 0.1000000000E+01 8 0.2525958274E+02 0.1000000000E+01 0.1000000000E+01 9 0.1231723665E+02 0.1000000000E+01 0.1000000000E+01 10 0.5977268485E+01 0.1000000000E+01 0.1000000000E+01 11 0.2803644498E+01 0.1000000000E+01 0.1000000000E+01 12 0.1234531470E+01 0.1000000000E+01 0.1000000000E+01 13 0.4956427569E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.3994522561E+03 0.1000000000E+01 0.1000000000E+01 2 0.1260461873E+03 0.1000000000E+01 0.1000000000E+01 3 0.4662475556E+02 0.1000000000E+01 0.1000000000E+01 4 0.1942274783E+02 0.1000000000E+01 0.1000000000E+01 5 0.8753812800E+01 0.1000000000E+01 0.1000000000E+01 6 0.4100733516E+01 0.1000000000E+01 0.1000000000E+01 7 0.1918177447E+01 0.1000000000E+01 0.1000000000E+01 8 0.8607245350E+00 0.1000000000E+01 0.1000000000E+01 9 0.3559368766E+00 0.1000000000E+01 0.1000000000E+01 10 0.1303168031E+00 0.1000000000E+01 0.1000000000E+01 D+ 1 0.3994522561E+03 0.1000000000E+01 0.1000000000E+01 2 0.1260461873E+03 0.1000000000E+01 0.1000000000E+01 3 0.4662475556E+02 0.1000000000E+01 0.1000000000E+01 4 0.1942274783E+02 0.1000000000E+01 0.1000000000E+01 5 0.8753812800E+01 0.1000000000E+01 0.1000000000E+01 6 0.4100733516E+01 0.1000000000E+01 0.1000000000E+01 7 0.1918177447E+01 0.1000000000E+01 0.1000000000E+01 8 0.8607245350E+00 0.1000000000E+01 0.1000000000E+01 9 0.3559368766E+00 0.1000000000E+01 0.1000000000E+01 10 0.1303168031E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 3 2 2 1 1 OPEN SHELLS 1 0 0 0 0 NUMBER OF OPEN SHELL CONFG 1 CONF OPEN SHELL OCCUPATION NUMBERS 1 1.0 0.0 0.0 0.0 0.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -3.3265376E+02 -4.1671379E+01 -5.1560558E+00 -2.4467004E-01 ------------ ------------ ------------ ------------ 1 1.1110870E-05 3.4880061E-06 -1.3095714E-06 2.3180704E-07 2 3.3343172E-05 1.0484534E-05 -3.9358734E-06 6.9653682E-07 3 1.2896784E-04 4.0653591E-05 -1.5273547E-05 2.7040545E-06 4 4.6037087E-04 1.4540707E-04 -5.4605014E-05 9.6628919E-06 5 1.6406894E-03 5.2002551E-04 -1.9554892E-04 3.4628882E-05 6 5.5352774E-03 1.7602423E-03 -6.6139915E-04 1.1703046E-04 7 1.7378594E-02 5.5845963E-03 -2.1042241E-03 3.7278806E-04 8 4.9432340E-02 1.6210565E-02 -6.1116674E-03 1.0816125E-03 9 1.2318595E-01 4.2566456E-02 -1.6192160E-02 2.8728503E-03 10 2.5054811E-01 9.6396397E-02 -3.7049177E-02 6.5690064E-03 11 3.6129520E-01 1.7529386E-01 -6.9821012E-02 1.2468417E-02 12 2.7266488E-01 1.8791251E-01 -7.8191777E-02 1.3958415E-02 13 6.3542259E-02 -5.7180765E-02 2.6065099E-02 -4.5654693E-03 14 2.1855746E-03 -5.4697861E-01 3.3911365E-01 -6.4337859E-02 15 1.6641186E-04 -4.8555167E-01 4.5666454E-01 -8.9796632E-02 16 1.9821016E-05 -6.5671811E-02 -2.2101383E-01 5.1216476E-02 17 -9.0904927E-05 -6.3727989E-03 -7.4110949E-01 1.9574660E-01 18 3.1559658E-05 1.4961960E-03 -3.3053329E-01 1.7227931E-01 19 -1.7450099E-05 -1.0633571E-03 -5.8189962E-03 5.1871843E-03 20 6.9786572E-06 4.1970423E-04 -3.8157961E-03 -5.1038375E-01 21 -1.7913268E-06 -1.1056500E-04 8.3083033E-04 -6.1134883E-01 22 3.8807144E-05 1.2166843E-05 -4.5685747E-06 8.0882637E-07 23 1.1956426E-04 3.7460329E-05 -1.4052665E-05 2.4863185E-06 24 3.4180344E-04 1.0719458E-04 -4.0257126E-05 7.1278072E-06 25 8.6702481E-04 2.7177956E-04 -1.0195094E-04 1.8037006E-05 26 2.0137537E-03 6.3264983E-04 -2.3767514E-04 4.2087108E-05 27 4.3057456E-03 1.3557294E-03 -5.0875241E-04 9.0001889E-05 28 8.5122379E-03 2.7080133E-03 -1.0191826E-03 1.8054155E-04 29 1.5418117E-02 5.0059825E-03 -1.8850194E-03 3.3354333E-04 30 2.4886814E-02 8.5194980E-03 -3.2373221E-03 5.7430822E-04 31 3.3392058E-02 1.2735926E-02 -4.8900007E-03 8.6690726E-04 32 3.2287082E-02 1.5541889E-02 -6.1853738E-03 1.1044619E-03 33 1.6542182E-02 1.1326342E-02 -4.7108101E-03 8.4091018E-04 34 2.6362155E-03 -2.3305033E-03 1.0586402E-03 -1.8526838E-04 35 6.2297844E-05 -1.5430434E-02 9.5567761E-03 -1.8129506E-03 36 3.0454297E-06 -9.3701866E-03 8.8057013E-03 -1.7314492E-03 37 3.6198220E-07 -8.5825524E-04 -2.8847065E-03 6.6837779E-04 38 -8.4977145E-07 -5.5644090E-05 -6.4553398E-03 1.7048591E-03 39 2.0715964E-07 8.5652020E-06 -1.8796544E-03 9.7960383E-04 40 -7.5412828E-08 -3.8651679E-06 -2.1015996E-05 1.8739698E-05 41 2.0390916E-08 9.4001479E-07 -8.4579028E-06 -1.1312967E-03 42 -3.7525703E-09 -1.4721736E-07 1.0859163E-06 -7.9915647E-04 2P- 3P- -3.6319660E+01 -3.4306778E+00 ------------ ------------ 1 -1.5518719E-04 -5.7398054E-05 2 -4.7601369E-04 -1.7647503E-04 3 -2.3432934E-03 -8.6951796E-04 4 -1.0690552E-02 -4.0005384E-03 5 -4.1400597E-02 -1.5688409E-02 6 -1.2339141E-01 -4.8370278E-02 7 -2.6316231E-01 -1.0749192E-01 8 -3.7683377E-01 -1.6421697E-01 9 -2.9063547E-01 -1.0038839E-01 10 -7.9211062E-02 1.9573596E-01 11 -5.5016255E-03 4.8089405E-01 12 -8.1747924E-04 4.0020540E-01 13 -1.7604658E-04 9.4144323E-02 14 -4.1827544E-05 -1.5468294E-05 15 -1.7836179E-04 -6.6218078E-05 16 -6.8830717E-04 -2.5542930E-04 17 -2.1691193E-03 -8.1186467E-04 18 -5.4498889E-03 -2.0652443E-03 19 -1.0735163E-02 -4.2087032E-03 20 -1.5515228E-02 -6.3393482E-03 21 -1.5389065E-02 -6.7095418E-03 22 -8.2853313E-03 -2.8659020E-03 23 -1.5605969E-03 3.9056060E-03 24 -5.7999135E-05 6.5711872E-03 25 -2.1969746E-06 3.6285302E-03 26 7.1952662E-06 5.4152717E-04 2P+ 3P+ -3.5555560E+01 -3.3283358E+00 ------------ ------------ 1 -2.0412407E-05 -7.5386466E-06 2 -2.0167698E-04 -7.4830111E-05 3 -1.5752012E-03 -5.8388215E-04 4 -9.0318239E-03 -3.3767476E-03 5 -3.8001682E-02 -1.4380107E-02 6 -1.1797874E-01 -4.6170713E-02 7 -2.5768292E-01 -1.0505398E-01 8 -3.7690697E-01 -1.6414645E-01 9 -2.9803995E-01 -1.0686750E-01 10 -8.4377215E-02 1.8445348E-01 11 -6.0442397E-03 4.7640938E-01 12 -8.7916538E-04 4.0941725E-01 13 -1.8110376E-04 1.0178222E-01 14 -2.6006637E-05 -9.5899958E-06 15 -1.3818732E-04 -5.1219232E-05 16 -5.9409637E-04 -2.1993686E-04 17 -1.9868890E-03 -7.4202073E-04 18 -5.1606801E-03 -1.9507685E-03 19 -1.0392171E-02 -4.0631776E-03 20 -1.5291438E-02 -6.2291986E-03 21 -1.5452329E-02 -6.7252073E-03 22 -8.5390997E-03 -3.0612191E-03 23 -1.6844282E-03 3.6777286E-03 24 -8.2644791E-05 6.5081108E-03 25 -7.9656069E-06 3.7115972E-03 26 -1.0426309E-06 5.8466562E-04 3D- -4.8747427E-01 ------------ 1 4.7524132E-04 2 3.9808211E-03 3 2.1789255E-02 4 7.3773083E-02 5 1.7335455E-01 6 2.7198326E-01 7 3.1040041E-01 8 2.8350348E-01 9 1.9514679E-01 10 6.7423939E-02 11 8.4239161E-05 12 4.2210585E-04 13 1.4237699E-03 14 3.1286550E-03 15 4.9438161E-03 16 5.3134192E-03 17 4.1484009E-03 18 2.5385085E-03 19 1.1236836E-03 20 2.3488126E-04 3D+ -4.7390671E-01 ------------ 1 -4.2414086E-04 2 -3.8097945E-03 3 -2.1247509E-02 4 -7.2608398E-02 5 -1.7127028E-01 6 -2.6974125E-01 7 -3.0937968E-01 8 -2.8483840E-01 9 -1.9900652E-01 10 -7.1450061E-02 11 -8.0304487E-05 12 -4.1000603E-04 13 -1.3963387E-03 14 -3.0853745E-03 15 -4.8896964E-03 16 -5.2723807E-03 17 -4.1361946E-03 18 -2.5510089E-03 19 -1.1461422E-03 20 -2.4899569E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -3.3265377E+02 -4.1671379E+01 -5.1560558E+00 -2.4467004E-01 ------------ ------------ ------------ ------------ 1 -1.1112995E-05 3.4886761E-06 -1.3098228E-06 -2.3185150E-07 2 -3.3344870E-05 1.0485063E-05 -3.9360719E-06 -6.9657201E-07 3 -1.2896516E-04 4.0652757E-05 -1.5273234E-05 -2.7039991E-06 4 -4.6037463E-04 1.4540824E-04 -5.4605456E-05 -9.6629704E-06 5 -1.6406857E-03 5.2002434E-04 -1.9554848E-04 -3.4628806E-05 6 -5.5352825E-03 1.7602439E-03 -6.6139974E-04 -1.1703057E-04 7 -1.7378590E-02 5.5845948E-03 -2.1042236E-03 -3.7278797E-04 8 -4.9432347E-02 1.6210568E-02 -6.1116683E-03 -1.0816127E-03 9 -1.2318595E-01 4.2566454E-02 -1.6192159E-02 -2.8728502E-03 10 -2.5054812E-01 9.6396400E-02 -3.7049178E-02 -6.5690069E-03 11 -3.6129519E-01 1.7529386E-01 -6.9821011E-02 -1.2468416E-02 12 -2.7266488E-01 1.8791251E-01 -7.8191777E-02 -1.3958416E-02 13 -6.3542250E-02 -5.7180771E-02 2.6065100E-02 4.5654714E-03 14 -2.1855801E-03 -5.4697861E-01 3.3911366E-01 6.4337858E-02 15 -1.6640798E-04 -4.8555167E-01 4.5666453E-01 8.9796641E-02 16 -1.9823479E-05 -6.5671809E-02 -2.2101382E-01 -5.1216488E-02 17 9.0906358E-05 -6.3727988E-03 -7.4110950E-01 -1.9574660E-01 18 -3.1560421E-05 1.4961962E-03 -3.3053328E-01 -1.7227930E-01 19 1.7450460E-05 -1.0633581E-03 -5.8190016E-03 -5.1872620E-03 20 -6.9787910E-06 4.1970534E-04 -3.8157949E-03 5.1038393E-01 21 1.7913569E-06 -1.1056547E-04 8.3083036E-04 6.1134870E-01 22 -3.8929920E-05 1.2205323E-05 -4.5830174E-06 -8.1138259E-07 23 -1.1951291E-04 3.7444236E-05 -1.4046625E-05 -2.4852495E-06 24 -3.4182754E-04 1.0720213E-04 -4.0259961E-05 -7.1283090E-06 25 -8.6701370E-04 2.7177608E-04 -1.0194963E-04 -1.8036776E-05 26 -2.0137606E-03 6.3265198E-04 -2.3767595E-04 -4.2087253E-05 27 -4.3057419E-03 1.3557283E-03 -5.0875198E-04 -9.0001817E-05 28 -8.5122409E-03 2.7080143E-03 -1.0191830E-03 -1.8054162E-04 29 -1.5418116E-02 5.0059820E-03 -1.8850192E-03 -3.3354331E-04 30 -2.4886815E-02 8.5194986E-03 -3.2373223E-03 -5.7430826E-04 31 -3.3392057E-02 1.2735926E-02 -4.8900005E-03 -8.6690728E-04 32 -3.2287083E-02 1.5541890E-02 -6.1853739E-03 -1.1044619E-03 33 -1.6542181E-02 1.1326341E-02 -4.7108100E-03 -8.4091024E-04 34 -2.6362160E-03 -2.3305033E-03 1.0586402E-03 1.8526844E-04 35 -6.2297443E-05 -1.5430435E-02 9.5567762E-03 1.8129506E-03 36 -3.0456945E-06 -9.3701865E-03 8.8057011E-03 1.7314494E-03 37 -3.6182102E-07 -8.5825528E-04 -2.8847064E-03 -6.6837795E-04 38 8.4968122E-07 -5.5644059E-05 -6.4553399E-03 -1.7048590E-03 39 -2.0711323E-07 8.5651883E-06 -1.8796544E-03 -9.7960378E-04 40 7.5390928E-08 -3.8651646E-06 -2.1016017E-05 -1.8739980E-05 41 -2.0381662E-08 9.4001429E-07 -8.4579000E-06 1.1312971E-03 42 3.7497521E-09 -1.4721722E-07 1.0859166E-06 7.9915631E-04 2P- 3P- -3.6319660E+01 -3.4306778E+00 ------------ ------------ 1 -1.5518720E-04 -5.7398055E-05 2 -4.7601369E-04 -1.7647503E-04 3 -2.3432934E-03 -8.6951796E-04 4 -1.0690552E-02 -4.0005384E-03 5 -4.1400597E-02 -1.5688409E-02 6 -1.2339141E-01 -4.8370278E-02 7 -2.6316231E-01 -1.0749192E-01 8 -3.7683377E-01 -1.6421697E-01 9 -2.9063547E-01 -1.0038839E-01 10 -7.9211062E-02 1.9573596E-01 11 -5.5016255E-03 4.8089405E-01 12 -8.1747922E-04 4.0020540E-01 13 -1.7604658E-04 9.4144323E-02 14 -4.1827544E-05 -1.5468294E-05 15 -1.7836179E-04 -6.6218078E-05 16 -6.8830717E-04 -2.5542930E-04 17 -2.1691193E-03 -8.1186467E-04 18 -5.4498889E-03 -2.0652443E-03 19 -1.0735163E-02 -4.2087032E-03 20 -1.5515228E-02 -6.3393482E-03 21 -1.5389065E-02 -6.7095417E-03 22 -8.2853313E-03 -2.8659020E-03 23 -1.5605969E-03 3.9056060E-03 24 -5.7999135E-05 6.5711872E-03 25 -2.1969745E-06 3.6285302E-03 26 7.1952662E-06 5.4152717E-04 2P+ 3P+ -3.5555560E+01 -3.3283358E+00 ------------ ------------ 1 -2.0412407E-05 -7.5386465E-06 2 -2.0167698E-04 -7.4830111E-05 3 -1.5752012E-03 -5.8388215E-04 4 -9.0318239E-03 -3.3767475E-03 5 -3.8001681E-02 -1.4380107E-02 6 -1.1797874E-01 -4.6170713E-02 7 -2.5768292E-01 -1.0505398E-01 8 -3.7690697E-01 -1.6414645E-01 9 -2.9803995E-01 -1.0686750E-01 10 -8.4377215E-02 1.8445348E-01 11 -6.0442396E-03 4.7640938E-01 12 -8.7916549E-04 4.0941726E-01 13 -1.8110373E-04 1.0178222E-01 14 -2.6006637E-05 -9.5899957E-06 15 -1.3818732E-04 -5.1219232E-05 16 -5.9409637E-04 -2.1993686E-04 17 -1.9868890E-03 -7.4202073E-04 18 -5.1606801E-03 -1.9507685E-03 19 -1.0392171E-02 -4.0631776E-03 20 -1.5291438E-02 -6.2291986E-03 21 -1.5452329E-02 -6.7252073E-03 22 -8.5390997E-03 -3.0612191E-03 23 -1.6844282E-03 3.6777286E-03 24 -8.2644790E-05 6.5081108E-03 25 -7.9656078E-06 3.7115972E-03 26 -1.0426307E-06 5.8466563E-04 3D- -4.8747426E-01 ------------ 1 4.7524132E-04 2 3.9808211E-03 3 2.1789255E-02 4 7.3773083E-02 5 1.7335455E-01 6 2.7198326E-01 7 3.1040041E-01 8 2.8350348E-01 9 1.9514679E-01 10 6.7423940E-02 11 8.4239161E-05 12 4.2210585E-04 13 1.4237699E-03 14 3.1286550E-03 15 4.9438161E-03 16 5.3134192E-03 17 4.1484009E-03 18 2.5385085E-03 19 1.1236836E-03 20 2.3488126E-04 3D+ -4.7390671E-01 ------------ 1 -4.2414086E-04 2 -3.8097945E-03 3 -2.1247509E-02 4 -7.2608398E-02 5 -1.7127028E-01 6 -2.6974125E-01 7 -3.0937968E-01 8 -2.8483840E-01 9 -1.9900652E-01 10 -7.1450062E-02 11 -8.0304487E-05 12 -4.1000603E-04 13 -1.3963387E-03 14 -3.0853745E-03 15 -4.8896963E-03 16 -5.2723806E-03 17 -4.1361946E-03 18 -2.5510089E-03 19 -1.1461422E-03 20 -2.4899569E-04 ******************** ZINC SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.2459936417E+08 0.1000000000E+01 0.1000000000E+01 2 0.4698958100E+07 0.1000000000E+01 0.1000000000E+01 3 0.1036001816E+07 0.1000000000E+01 0.1000000000E+01 4 0.2603893756E+06 0.1000000000E+01 0.1000000000E+01 5 0.7369064339E+05 0.1000000000E+01 0.1000000000E+01 6 0.2319264747E+05 0.1000000000E+01 0.1000000000E+01 7 0.8017883484E+04 0.1000000000E+01 0.1000000000E+01 8 0.3007205701E+04 0.1000000000E+01 0.1000000000E+01 9 0.1208601303E+04 0.1000000000E+01 0.1000000000E+01 10 0.5140934283E+03 0.1000000000E+01 0.1000000000E+01 11 0.2285928615E+03 0.1000000000E+01 0.1000000000E+01 12 0.1049463743E+03 0.1000000000E+01 0.1000000000E+01 13 0.4913363816E+02 0.1000000000E+01 0.1000000000E+01 14 0.2316966002E+02 0.1000000000E+01 0.1000000000E+01 15 0.1086956588E+02 0.1000000000E+01 0.1000000000E+01 16 0.5010477104E+01 0.1000000000E+01 0.1000000000E+01 17 0.2241521225E+01 0.1000000000E+01 0.1000000000E+01 18 0.9612272309E+00 0.1000000000E+01 0.1000000000E+01 19 0.3902574992E+00 0.1000000000E+01 0.1000000000E+01 20 0.1481634138E+00 0.1000000000E+01 0.1000000000E+01 21 0.5195385376E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.4717383569E+05 0.1000000000E+01 0.1000000000E+01 2 0.1002957946E+05 0.1000000000E+01 0.1000000000E+01 3 0.2645049372E+04 0.1000000000E+01 0.1000000000E+01 4 0.8383017278E+03 0.1000000000E+01 0.1000000000E+01 5 0.3093345654E+03 0.1000000000E+01 0.1000000000E+01 6 0.1287549830E+03 0.1000000000E+01 0.1000000000E+01 7 0.5856702145E+02 0.1000000000E+01 0.1000000000E+01 8 0.2820601415E+02 0.1000000000E+01 0.1000000000E+01 9 0.1393399929E+02 0.1000000000E+01 0.1000000000E+01 10 0.6840712277E+01 0.1000000000E+01 0.1000000000E+01 11 0.3233436472E+01 0.1000000000E+01 0.1000000000E+01 12 0.1425643053E+01 0.1000000000E+01 0.1000000000E+01 13 0.5680502114E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.4717383569E+05 0.1000000000E+01 0.1000000000E+01 2 0.1002957946E+05 0.1000000000E+01 0.1000000000E+01 3 0.2645049372E+04 0.1000000000E+01 0.1000000000E+01 4 0.8383017278E+03 0.1000000000E+01 0.1000000000E+01 5 0.3093345654E+03 0.1000000000E+01 0.1000000000E+01 6 0.1287549830E+03 0.1000000000E+01 0.1000000000E+01 7 0.5856702145E+02 0.1000000000E+01 0.1000000000E+01 8 0.2820601415E+02 0.1000000000E+01 0.1000000000E+01 9 0.1393399929E+02 0.1000000000E+01 0.1000000000E+01 10 0.6840712277E+01 0.1000000000E+01 0.1000000000E+01 11 0.3233436472E+01 0.1000000000E+01 0.1000000000E+01 12 0.1425643053E+01 0.1000000000E+01 0.1000000000E+01 13 0.5680502114E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.4896090922E+03 0.1000000000E+01 0.1000000000E+01 2 0.1506536280E+03 0.1000000000E+01 0.1000000000E+01 3 0.5524649362E+02 0.1000000000E+01 0.1000000000E+01 4 0.2313584152E+02 0.1000000000E+01 0.1000000000E+01 5 0.1060185332E+02 0.1000000000E+01 0.1000000000E+01 6 0.5093949595E+01 0.1000000000E+01 0.1000000000E+01 7 0.2459032731E+01 0.1000000000E+01 0.1000000000E+01 8 0.1142802660E+01 0.1000000000E+01 0.1000000000E+01 9 0.4899320994E+00 0.1000000000E+01 0.1000000000E+01 10 0.1856601591E+00 0.1000000000E+01 0.1000000000E+01 D+ 1 0.4896090922E+03 0.1000000000E+01 0.1000000000E+01 2 0.1506536280E+03 0.1000000000E+01 0.1000000000E+01 3 0.5524649362E+02 0.1000000000E+01 0.1000000000E+01 4 0.2313584152E+02 0.1000000000E+01 0.1000000000E+01 5 0.1060185332E+02 0.1000000000E+01 0.1000000000E+01 6 0.5093949595E+01 0.1000000000E+01 0.1000000000E+01 7 0.2459032731E+01 0.1000000000E+01 0.1000000000E+01 8 0.1142802660E+01 0.1000000000E+01 0.1000000000E+01 9 0.4899320994E+00 0.1000000000E+01 0.1000000000E+01 10 0.1856601591E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 4 2 2 1 1 OPEN SHELLS 0 0 0 0 0 NUMBER OF OPEN SHELL CONFG 0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -3.5774833E+02 -4.5345822E+01 -5.7996986E+00 -2.9851135E-01 ------------ ------------ ------------ ------------ 1 -1.1269220E-05 3.5566655E-06 1.3481580E-06 -2.7328994E-07 2 -3.3710253E-05 1.0656351E-05 4.0391614E-06 -8.1874821E-07 3 -1.2799126E-04 4.0566974E-05 1.5386682E-05 -3.1194152E-06 4 -4.4815961E-04 1.4233178E-04 5.3973018E-05 -1.0940780E-05 5 -1.5711792E-03 5.0088805E-04 1.9014884E-04 -3.8555444E-05 6 -5.2346017E-03 1.6739196E-03 6.3517409E-04 -1.2876037E-04 7 -1.6297192E-02 5.2657696E-03 2.0027927E-03 -4.0621285E-04 8 -4.6153114E-02 1.5193730E-02 5.7845068E-03 -1.1730385E-03 9 -1.1522023E-01 3.9864247E-02 1.5298273E-02 -3.1066279E-03 10 -2.3724492E-01 9.0691454E-02 3.5167773E-02 -7.1474408E-03 11 -3.5419285E-01 1.6844231E-01 6.7482879E-02 -1.3782355E-02 12 -2.8914495E-01 1.9359561E-01 8.1108150E-02 -1.6635907E-02 13 -7.8991971E-02 -1.7599120E-02 -7.9786859E-03 1.5873004E-03 14 -2.9020853E-03 -5.0795081E-01 -3.0773604E-01 6.6532589E-02 15 -5.3768985E-04 -5.2585993E-01 -4.8227197E-01 1.0936626E-01 16 1.7658364E-04 -9.1569194E-02 1.3606825E-01 -3.8319178E-02 17 -1.5561485E-05 -5.6824521E-03 7.4654109E-01 -2.2241035E-01 18 2.4687207E-05 6.7910663E-04 3.8199197E-01 -2.2679106E-01 19 -7.8771905E-06 -7.4671441E-04 9.1765759E-03 3.2407305E-02 20 3.0052748E-06 2.9601885E-04 3.8688779E-03 5.8360467E-01 21 -7.7324476E-07 -7.9924549E-05 -1.0720856E-03 5.3381046E-01 22 -3.8229757E-05 1.2050968E-05 4.5681613E-06 -9.2607407E-07 23 -1.1972577E-04 3.7708333E-05 1.4283734E-05 -2.8949949E-06 24 -3.4164803E-04 1.0772987E-04 4.0841968E-05 -8.2798944E-06 25 -8.6503929E-04 2.7257589E-04 1.0324975E-04 -2.0926119E-05 26 -2.0047415E-03 6.3323129E-04 2.4014102E-04 -4.8686689E-05 27 -4.2775429E-03 1.3535582E-03 5.1291961E-04 -1.0395810E-04 28 -8.4454399E-03 2.6997151E-03 1.0255271E-03 -2.0796972E-04 29 -1.5304253E-02 4.9845911E-03 1.8952084E-03 -3.8426184E-04 30 -2.4833599E-02 8.5059327E-03 3.2603931E-03 -6.6199419E-04 31 -3.3823207E-02 1.2808494E-02 4.9613379E-03 -1.0081921E-03 32 -3.3935563E-02 1.6001139E-02 6.4046543E-03 -1.3079049E-03 33 -1.8846789E-02 1.2528122E-02 5.2458260E-03 -1.0758897E-03 34 -3.5283810E-03 -7.5284940E-04 -3.3779361E-04 6.6986238E-05 35 -8.9161029E-05 -1.5447032E-02 -9.3477629E-03 2.0207212E-03 36 -1.1110050E-05 -1.0966339E-02 -1.0048402E-02 2.2785770E-03 37 2.4219271E-06 -1.2966400E-03 1.9230080E-03 -5.4145692E-04 38 -9.8442321E-08 -5.3891001E-05 7.0639699E-03 -2.1042658E-03 39 1.2834358E-07 4.2574710E-06 2.3670889E-03 -1.4051914E-03 40 -1.9573033E-08 -2.9711219E-06 3.6240014E-05 1.2792445E-04 41 2.5994458E-09 7.2898217E-07 9.4099541E-06 1.4196632E-03 42 2.6040681E-10 -1.1759813E-07 -1.5437563E-06 7.6894223E-04 2P- 3P- -3.9739896E+01 -3.9575441E+00 ------------ ------------ 1 -1.5256337E-04 5.7196388E-05 2 -4.7902696E-04 1.7996652E-04 3 -2.3281235E-03 8.7576946E-04 4 -1.0632599E-02 4.0325387E-03 5 -4.0985070E-02 1.5745679E-02 6 -1.2087499E-01 4.8021402E-02 7 -2.5575975E-01 1.0588554E-01 8 -3.6839657E-01 1.6249603E-01 9 -2.9691008E-01 1.0910978E-01 10 -8.9952977E-02 -1.7246628E-01 11 -6.9044228E-03 -4.7615475E-01 12 -9.5381464E-04 -4.2223967E-01 13 -1.3188424E-04 -9.7701060E-02 14 -4.0633944E-05 1.5235440E-05 15 -1.7945174E-04 6.7516015E-05 16 -7.0476786E-04 2.6515771E-04 17 -2.2392137E-03 8.4942442E-04 18 -5.6172045E-03 2.1581034E-03 19 -1.0982902E-02 4.3637888E-03 20 -1.5826726E-02 6.5545061E-03 21 -1.5891093E-02 7.0129602E-03 22 -9.0005477E-03 3.3126683E-03 23 -1.8972802E-03 -3.6818344E-03 24 -8.1191461E-05 -6.9874697E-03 25 -3.0155320E-06 -4.1140326E-03 26 8.8270662E-06 -6.0167973E-04 2P+ 3P+ -3.8851020E+01 -3.8368757E+00 ------------ ------------ 1 1.7658597E-05 6.6144278E-06 2 1.8638284E-04 7.0096874E-05 3 1.5132717E-03 5.6884142E-04 4 8.8500938E-03 3.3541600E-03 5 3.7361277E-02 1.4336573E-02 6 1.1512763E-01 4.5668128E-02 7 2.4991105E-01 1.0328907E-01 8 3.6811480E-01 1.6227821E-01 9 3.0449252E-01 1.1567628E-01 10 9.5888405E-02 -1.6048224E-01 11 7.6737017E-03 -4.7046610E-01 12 1.0178092E-03 -4.3210332E-01 13 1.3777105E-04 -1.0598662E-01 14 2.4058942E-05 8.9976287E-06 15 1.3553431E-04 5.0914494E-05 16 6.0049965E-04 2.2542208E-04 17 2.0362216E-03 7.7078961E-04 18 5.2960865E-03 2.0299160E-03 19 1.0603216E-02 4.2017562E-03 20 1.5575100E-02 6.4316833E-03 21 1.5946800E-02 7.0248495E-03 22 9.2790722E-03 3.5240853E-03 23 2.0479685E-03 -3.4226567E-03 24 1.1268178E-04 -6.9018860E-03 25 9.9135696E-06 -4.2095827E-03 26 8.4897863E-07 -6.5178071E-04 3D- -7.7062578E-01 ------------ 1 -4.0477474E-04 2 -3.5549828E-03 3 -2.0089786E-02 4 -6.8614294E-02 5 -1.6233800E-01 6 -2.6213450E-01 7 -3.1033021E-01 8 -2.9174493E-01 9 -1.9382188E-01 10 -5.7701333E-02 11 -7.8131606E-05 12 -4.1024661E-04 13 -1.4266444E-03 14 -3.1738281E-03 15 -5.0933509E-03 16 -5.7067025E-03 17 -4.6955169E-03 18 -3.0099125E-03 19 -1.3093146E-03 20 -2.3987452E-04 3D+ -7.5446259E-01 ------------ 1 -3.5487637E-04 2 -3.3854256E-03 3 -1.9560999E-02 4 -6.7528132E-02 5 -1.6047394E-01 6 -2.6013968E-01 7 -3.0945786E-01 8 -2.9308641E-01 9 -1.9727861E-01 10 -6.0493590E-02 11 -7.4153438E-05 12 -3.9779481E-04 13 -1.3985574E-03 14 -3.1309888E-03 15 -5.0413536E-03 16 -5.6668808E-03 17 -4.6842674E-03 18 -3.0245599E-03 19 -1.3330142E-03 20 -2.5162905E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -3.5774833E+02 -4.5345823E+01 -5.7996986E+00 -2.9851135E-01 ------------ ------------ ------------ ------------ 1 1.1272781E-05 3.5577930E-06 -1.3485853E-06 2.7337654E-07 2 3.3711586E-05 1.0656766E-05 -4.0393188E-06 8.1878011E-07 3 1.2798863E-04 4.0566150E-05 -1.5386370E-05 3.1193519E-06 4 4.4816367E-04 1.4233305E-04 -5.3973501E-05 1.0940878E-05 5 1.5711752E-03 5.0088679E-04 -1.9014836E-04 3.8555347E-05 6 5.2346073E-03 1.6739214E-03 -6.3517475E-04 1.2876051E-04 7 1.6297187E-02 5.2657680E-03 -2.0027921E-03 4.0621273E-04 8 4.6153122E-02 1.5193732E-02 -5.7845077E-03 1.1730387E-03 9 1.1522022E-01 3.9864245E-02 -1.5298272E-02 3.1066277E-03 10 2.3724493E-01 9.0691458E-02 -3.5167775E-02 7.1474411E-03 11 3.5419284E-01 1.6844231E-01 -6.7482878E-02 1.3782354E-02 12 2.8914496E-01 1.9359561E-01 -8.1108150E-02 1.6635907E-02 13 7.8991961E-02 -1.7599129E-02 7.9786877E-03 -1.5873010E-03 14 2.9020915E-03 -5.0795081E-01 3.0773605E-01 -6.6532588E-02 15 5.3768544E-04 -5.2585993E-01 4.8227196E-01 -1.0936626E-01 16 -1.7658090E-04 -9.1569189E-02 -1.3606826E-01 3.8319180E-02 17 1.5559949E-05 -5.6824533E-03 -7.4654110E-01 2.2241035E-01 18 -2.4686421E-05 6.7910748E-04 -3.8199196E-01 2.2679106E-01 19 7.8768326E-06 -7.4671467E-04 -9.1765746E-03 -3.2407311E-02 20 -3.0051345E-06 2.9601895E-04 -3.8688782E-03 -5.8360467E-01 21 7.7321380E-07 -7.9924386E-05 1.0720878E-03 -5.3381045E-01 22 3.8386570E-05 1.2100379E-05 -4.5868852E-06 9.2986946E-07 23 1.1966057E-04 3.7687791E-05 -1.4275949E-05 2.8934170E-06 24 3.4167877E-04 1.0773956E-04 -4.0845638E-05 8.2806385E-06 25 8.6502517E-04 2.7257145E-04 -1.0324807E-04 2.0925777E-05 26 2.0047504E-03 6.3323407E-04 -2.4014207E-04 4.8686902E-05 27 4.2775382E-03 1.3535568E-03 -5.1291906E-04 1.0395798E-04 28 8.4454438E-03 2.6997163E-03 -1.0255276E-03 2.0796981E-04 29 1.5304251E-02 4.9845905E-03 -1.8952081E-03 3.8426179E-04 30 2.4833601E-02 8.5059334E-03 -3.2603934E-03 6.6199424E-04 31 3.3823206E-02 1.2808494E-02 -4.9613377E-03 1.0081921E-03 32 3.3935564E-02 1.6001139E-02 -6.4046545E-03 1.3079049E-03 33 1.8846788E-02 1.2528121E-02 -5.2458258E-03 1.0758896E-03 34 3.5283816E-03 -7.5284943E-04 3.3779356E-04 -6.6986240E-05 35 8.9160510E-05 -1.5447033E-02 9.3477630E-03 -2.0207212E-03 36 1.1110392E-05 -1.0966339E-02 1.0048402E-02 -2.2785769E-03 37 -2.4221362E-06 -1.2966400E-03 -1.9230080E-03 5.4145694E-04 38 9.8559755E-08 -5.3890971E-05 -7.0639699E-03 2.1042658E-03 39 -1.2840409E-07 4.2574549E-06 -2.3670889E-03 1.4051914E-03 40 1.9601593E-08 -2.9711128E-06 -3.6240011E-05 -1.2792448E-04 41 -2.6112334E-09 7.2897821E-07 -9.4099539E-06 -1.4196632E-03 42 -2.5697069E-10 -1.1759684E-07 1.5437590E-06 -7.6894223E-04 2P- 3P- -3.9739896E+01 -3.9575441E+00 ------------ ------------ 1 -1.5256338E-04 5.7196389E-05 2 -4.7902695E-04 1.7996652E-04 3 -2.3281235E-03 8.7576946E-04 4 -1.0632599E-02 4.0325387E-03 5 -4.0985070E-02 1.5745679E-02 6 -1.2087499E-01 4.8021402E-02 7 -2.5575975E-01 1.0588554E-01 8 -3.6839657E-01 1.6249603E-01 9 -2.9691008E-01 1.0910978E-01 10 -8.9952977E-02 -1.7246628E-01 11 -6.9044229E-03 -4.7615475E-01 12 -9.5381460E-04 -4.2223967E-01 13 -1.3188423E-04 -9.7701060E-02 14 -4.0633943E-05 1.5235440E-05 15 -1.7945174E-04 6.7516015E-05 16 -7.0476786E-04 2.6515771E-04 17 -2.2392137E-03 8.4942442E-04 18 -5.6172045E-03 2.1581034E-03 19 -1.0982902E-02 4.3637888E-03 20 -1.5826726E-02 6.5545061E-03 21 -1.5891093E-02 7.0129602E-03 22 -9.0005477E-03 3.3126683E-03 23 -1.8972802E-03 -3.6818344E-03 24 -8.1191463E-05 -6.9874697E-03 25 -3.0155316E-06 -4.1140326E-03 26 8.8270662E-06 -6.0167973E-04 2P+ 3P+ -3.8851020E+01 -3.8368757E+00 ------------ ------------ 1 1.7658597E-05 6.6144276E-06 2 1.8638284E-04 7.0096874E-05 3 1.5132717E-03 5.6884142E-04 4 8.8500938E-03 3.3541600E-03 5 3.7361277E-02 1.4336573E-02 6 1.1512763E-01 4.5668128E-02 7 2.4991105E-01 1.0328907E-01 8 3.6811480E-01 1.6227821E-01 9 3.0449252E-01 1.1567628E-01 10 9.5888405E-02 -1.6048224E-01 11 7.6737017E-03 -4.7046609E-01 12 1.0178092E-03 -4.3210332E-01 13 1.3777105E-04 -1.0598662E-01 14 2.4058941E-05 8.9976285E-06 15 1.3553431E-04 5.0914494E-05 16 6.0049965E-04 2.2542208E-04 17 2.0362216E-03 7.7078961E-04 18 5.2960865E-03 2.0299160E-03 19 1.0603216E-02 4.2017561E-03 20 1.5575100E-02 6.4316833E-03 21 1.5946800E-02 7.0248495E-03 22 9.2790722E-03 3.5240853E-03 23 2.0479685E-03 -3.4226567E-03 24 1.1268178E-04 -6.9018860E-03 25 9.9135697E-06 -4.2095827E-03 26 8.4897862E-07 -6.5178071E-04 3D- -7.7062578E-01 ------------ 1 -4.0477474E-04 2 -3.5549828E-03 3 -2.0089786E-02 4 -6.8614294E-02 5 -1.6233800E-01 6 -2.6213450E-01 7 -3.1033021E-01 8 -2.9174493E-01 9 -1.9382188E-01 10 -5.7701333E-02 11 -7.8131606E-05 12 -4.1024661E-04 13 -1.4266444E-03 14 -3.1738281E-03 15 -5.0933509E-03 16 -5.7067024E-03 17 -4.6955169E-03 18 -3.0099125E-03 19 -1.3093146E-03 20 -2.3987452E-04 3D+ -7.5446259E-01 ------------ 1 -3.5487637E-04 2 -3.3854256E-03 3 -1.9560999E-02 4 -6.7528132E-02 5 -1.6047394E-01 6 -2.6013968E-01 7 -3.0945786E-01 8 -2.9308641E-01 9 -1.9727861E-01 10 -6.0493590E-02 11 -7.4153438E-05 12 -3.9779481E-04 13 -1.3985574E-03 14 -3.1309888E-03 15 -5.0413536E-03 16 -5.6668808E-03 17 -4.6842674E-03 18 -3.0245599E-03 19 -1.3330142E-03 20 -2.5162905E-04