YTTRIUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1767964500E+09 0.1000000000E+01 0.1000000000E+01 2 0.4054630069E+08 0.1000000000E+01 0.1000000000E+01 3 0.1023450253E+08 0.1000000000E+01 0.1000000000E+01 4 0.2824109781E+07 0.1000000000E+01 0.1000000000E+01 5 0.8461693332E+06 0.1000000000E+01 0.1000000000E+01 6 0.2734358095E+06 0.1000000000E+01 0.1000000000E+01 7 0.9465366441E+05 0.1000000000E+01 0.1000000000E+01 8 0.3486301480E+05 0.1000000000E+01 0.1000000000E+01 9 0.1357061243E+05 0.1000000000E+01 0.1000000000E+01 10 0.5545011940E+04 0.1000000000E+01 0.1000000000E+01 11 0.2362302923E+04 0.1000000000E+01 0.1000000000E+01 12 0.1042222117E+04 0.1000000000E+01 0.1000000000E+01 13 0.4729749186E+03 0.1000000000E+01 0.1000000000E+01 14 0.2192959433E+03 0.1000000000E+01 0.1000000000E+01 15 0.1031808919E+03 0.1000000000E+01 0.1000000000E+01 16 0.4893343273E+02 0.1000000000E+01 0.1000000000E+01 17 0.2323332386E+02 0.1000000000E+01 0.1000000000E+01 18 0.1096927185E+02 0.1000000000E+01 0.1000000000E+01 19 0.5115246609E+01 0.1000000000E+01 0.1000000000E+01 20 0.2340125815E+01 0.1000000000E+01 0.1000000000E+01 21 0.1043175134E+01 0.1000000000E+01 0.1000000000E+01 22 0.4500721761E+00 0.1000000000E+01 0.1000000000E+01 23 0.1866704422E+00 0.1000000000E+01 0.1000000000E+01 24 0.7392629349E-01 0.1000000000E+01 0.1000000000E+01 25 0.2776603233E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.3634425755E+06 0.1000000000E+01 0.1000000000E+01 2 0.8310790650E+05 0.1000000000E+01 0.1000000000E+01 3 0.2206397691E+05 0.1000000000E+01 0.1000000000E+01 4 0.6694940128E+04 0.1000000000E+01 0.1000000000E+01 5 0.2285691390E+04 0.1000000000E+01 0.1000000000E+01 6 0.8643368312E+03 0.1000000000E+01 0.1000000000E+01 7 0.3563932906E+03 0.1000000000E+01 0.1000000000E+01 8 0.1577406524E+03 0.1000000000E+01 0.1000000000E+01 9 0.7377545551E+02 0.1000000000E+01 0.1000000000E+01 10 0.3589391755E+02 0.1000000000E+01 0.1000000000E+01 11 0.1788368686E+02 0.1000000000E+01 0.1000000000E+01 12 0.8982702740E+01 0.1000000000E+01 0.1000000000E+01 13 0.4477723939E+01 0.1000000000E+01 0.1000000000E+01 14 0.2180692642E+01 0.1000000000E+01 0.1000000000E+01 15 0.1021421507E+01 0.1000000000E+01 0.1000000000E+01 16 0.4529762950E+00 0.1000000000E+01 0.1000000000E+01 17 0.1872373260E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.3634425755E+06 0.1000000000E+01 0.1000000000E+01 2 0.8310790650E+05 0.1000000000E+01 0.1000000000E+01 3 0.2206397691E+05 0.1000000000E+01 0.1000000000E+01 4 0.6694940128E+04 0.1000000000E+01 0.1000000000E+01 5 0.2285691390E+04 0.1000000000E+01 0.1000000000E+01 6 0.8643368312E+03 0.1000000000E+01 0.1000000000E+01 7 0.3563932906E+03 0.1000000000E+01 0.1000000000E+01 8 0.1577406524E+03 0.1000000000E+01 0.1000000000E+01 9 0.7377545551E+02 0.1000000000E+01 0.1000000000E+01 10 0.3589391755E+02 0.1000000000E+01 0.1000000000E+01 11 0.1788368686E+02 0.1000000000E+01 0.1000000000E+01 12 0.8982702740E+01 0.1000000000E+01 0.1000000000E+01 13 0.4477723939E+01 0.1000000000E+01 0.1000000000E+01 14 0.2180692642E+01 0.1000000000E+01 0.1000000000E+01 15 0.1021421507E+01 0.1000000000E+01 0.1000000000E+01 16 0.4529762950E+00 0.1000000000E+01 0.1000000000E+01 17 0.1872373260E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.1227979574E+04 0.1000000000E+01 0.1000000000E+01 2 0.4524991053E+03 0.1000000000E+01 0.1000000000E+01 3 0.1829007818E+03 0.1000000000E+01 0.1000000000E+01 4 0.7962857810E+02 0.1000000000E+01 0.1000000000E+01 5 0.3666588971E+02 0.1000000000E+01 0.1000000000E+01 6 0.1753394619E+02 0.1000000000E+01 0.1000000000E+01 7 0.8550777236E+01 0.1000000000E+01 0.1000000000E+01 8 0.4175652055E+01 0.1000000000E+01 0.1000000000E+01 9 0.2005026458E+01 0.1000000000E+01 0.1000000000E+01 10 0.9295597561E+00 0.1000000000E+01 0.1000000000E+01 11 0.4085829371E+00 0.1000000000E+01 0.1000000000E+01 12 0.1671910989E+00 0.1000000000E+01 0.1000000000E+01 13 0.6254036317E-01 0.1000000000E+01 0.1000000000E+01 D+ 1 0.1227979574E+04 0.1000000000E+01 0.1000000000E+01 2 0.4524991053E+03 0.1000000000E+01 0.1000000000E+01 3 0.1829007818E+03 0.1000000000E+01 0.1000000000E+01 4 0.7962857810E+02 0.1000000000E+01 0.1000000000E+01 5 0.3666588971E+02 0.1000000000E+01 0.1000000000E+01 6 0.1753394619E+02 0.1000000000E+01 0.1000000000E+01 7 0.8550777236E+01 0.1000000000E+01 0.1000000000E+01 8 0.4175652055E+01 0.1000000000E+01 0.1000000000E+01 9 0.2005026458E+01 0.1000000000E+01 0.1000000000E+01 10 0.9295597561E+00 0.1000000000E+01 0.1000000000E+01 11 0.4085829371E+00 0.1000000000E+01 0.1000000000E+01 12 0.1671910989E+00 0.1000000000E+01 0.1000000000E+01 13 0.6254036317E-01 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 5 3 3 1 1 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+ 5S+ -6.3006780E+02 -8.8905426E+01 -1.5317270E+01 -2.2390669E+00 -2.0118133E-01 ------------ ------------ ------------ ------------ ------------ 1 -2.1118015E-06 6.9396422E-07 -2.8692718E-07 -1.0566013E-07 -2.8393009E-08 2 -1.4001460E-05 4.6032294E-06 -1.9029034E-06 -7.0032184E-07 -1.8808138E-07 3 -3.8864878E-05 1.2805379E-05 -5.2963059E-06 -1.9503875E-06 -5.2409232E-07 4 -1.0951999E-04 3.6147772E-05 -1.4949739E-05 -5.5015590E-06 -1.4773202E-06 5 -2.9500514E-04 9.7759189E-05 -4.0467691E-05 -1.4907646E-05 -4.0067870E-06 6 -8.0756843E-04 2.6832173E-04 -1.1105401E-04 -4.0861646E-05 -1.0969412E-05 7 -2.2146041E-03 7.3997228E-04 -3.0669682E-04 -1.1304598E-04 -3.0395606E-05 8 -6.0450036E-03 2.0275235E-03 -8.4006225E-04 -3.0902772E-04 -8.2927107E-05 9 -1.6136214E-02 5.4744410E-03 -2.2740851E-03 -8.3889645E-04 -2.2567331E-04 10 -4.1189785E-02 1.4202564E-02 -5.9053448E-03 -2.1726154E-03 -5.8277783E-04 11 -9.7498244E-02 3.5099128E-02 -1.4702513E-02 -5.4344429E-03 -1.4630408E-03 12 -2.0135424E-01 7.8603524E-02 -3.3236653E-02 -1.2253984E-02 -3.2857822E-03 13 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------------ 1 -8.5115453E-05 -3.5959026E-05 1.2093191E-05 2 -1.7330037E-04 -7.3241894E-05 2.4636694E-05 3 -5.6700236E-04 -2.3993596E-04 8.0698525E-05 4 -1.7687999E-03 -7.5017723E-04 2.5252708E-04 5 -6.4274424E-03 -2.7410782E-03 9.2282853E-04 6 -2.2944807E-02 -9.8846614E-03 3.3357458E-03 7 -7.3160164E-02 -3.2269049E-02 1.0919211E-02 8 -1.8488902E-01 -8.4881699E-02 2.8932342E-02 9 -3.3356469E-01 -1.6220846E-01 5.5752020E-02 10 -3.6319257E-01 -1.7829478E-01 6.1548341E-02 11 -1.7675561E-01 3.4736875E-02 -2.2936168E-02 12 -2.7198265E-02 3.8683847E-01 -1.6988140E-01 13 -1.8545997E-03 4.9563631E-01 -2.5436247E-01 14 -5.8048739E-05 1.9549422E-01 -2.5003631E-02 15 -5.9841867E-05 1.1821721E-02 4.7304871E-01 16 3.4437953E-05 1.5957687E-03 5.4001188E-01 17 -8.3539746E-06 -3.6850958E-04 1.3695365E-01 18 -1.7840197E-05 -7.5501720E-06 2.5383378E-06 19 -5.7861298E-05 -2.4484452E-05 8.2425415E-06 20 -2.0070412E-04 -8.5112620E-05 2.8622506E-05 21 -6.4462854E-04 -2.7369951E-04 9.2172500E-05 22 -1.8998394E-03 -8.1082177E-04 2.7297362E-04 23 -4.8940845E-03 -2.1088804E-03 7.1174114E-04 24 -1.0705151E-02 -4.7227332E-03 1.5980805E-03 25 -1.8517971E-02 -8.5046979E-03 2.8990642E-03 26 -2.3115423E-02 -1.1249590E-02 3.8668960E-03 27 -1.7627034E-02 -8.6691512E-03 2.9936287E-03 28 -6.0236573E-03 1.2077637E-03 -7.9269145E-04 29 -6.1800528E-04 9.4618180E-03 -4.1534325E-03 30 -1.2369390E-07 8.5605810E-03 -4.3921890E-03 31 1.5694329E-05 2.3572028E-03 -3.0256354E-04 32 1.2946894E-05 9.8540175E-05 3.8993832E-03 33 3.9406436E-06 9.0504806E-06 2.9649930E-03 34 6.5542178E-06 -7.9423275E-07 4.8295635E-04 2P+ 3P+ 4P+ -7.8009196E+01 -1.1832623E+01 -1.2855528E+00 ------------ ------------ ------------ 1 2.1473017E-06 -9.1206387E-07 3.0570867E-07 2 1.6501011E-05 -7.0082829E-06 2.3547701E-06 3 1.2485880E-04 -5.3111470E-05 1.7812667E-05 4 7.9406625E-04 -3.3817577E-04 1.1362065E-04 5 4.2516620E-03 -1.8190241E-03 6.1079085E-04 6 1.8547837E-02 -8.0111939E-03 2.6969289E-03 7 6.5130347E-02 -2.8777135E-02 9.7109214E-03 8 1.7399426E-01 -7.9995628E-02 2.7192689E-02 9 3.2692424E-01 -1.5921545E-01 5.4564890E-02 10 3.7100131E-01 -1.8542871E-01 6.4021938E-02 11 1.9047982E-01 1.4622901E-02 -1.4727206E-02 12 3.1694822E-02 3.7011930E-01 -1.6138234E-01 13 2.1151707E-03 5.0486876E-01 -2.5724721E-01 14 8.4000858E-05 2.1315825E-01 -4.7244066E-02 15 5.7285639E-05 1.4771199E-02 4.5318871E-01 16 -3.4931143E-05 1.7058465E-03 5.5351048E-01 17 8.4898204E-06 -3.8978872E-04 1.5453775E-01 18 4.9839722E-06 -2.1146215E-06 7.0800301E-07 19 2.6014626E-05 -1.1026294E-05 3.7052545E-06 20 1.2164024E-04 -5.1628452E-05 1.7306515E-05 21 4.7180021E-04 -2.0044822E-04 6.7327312E-05 22 1.5601307E-03 -6.6591084E-04 2.2351235E-04 23 4.3128755E-03 -1.8586558E-03 6.2550710E-04 24 9.8854657E-03 -4.3587480E-03 1.4704051E-03 25 1.7721555E-02 -8.1329997E-03 2.7639186E-03 26 2.2870626E-02 -1.1121338E-02 3.8105796E-03 27 1.8144509E-02 -9.0589483E-03 3.1274595E-03 28 6.5822518E-03 4.9742759E-04 -5.0482657E-04 29 7.7625528E-04 9.0473155E-03 -3.9439896E-03 30 3.6619033E-05 8.7169969E-03 -4.4406778E-03 31 9.8013923E-07 2.5688669E-03 -5.6955152E-04 32 4.8751810E-07 1.2179788E-04 3.7367083E-03 33 -1.9795762E-07 9.3819564E-06 3.0394152E-03 34 3.1714999E-08 -1.3801646E-06 5.4558746E-04 3D- 4D- -6.5332910E+00 -2.3268828E-01 ------------ ------------ 1 2.9916500E-04 -6.2875187E-05 2 1.5991127E-03 -3.3792783E-04 3 9.1590252E-03 -1.9340077E-03 4 3.7045239E-02 -7.8781503E-03 5 1.1307781E-01 -2.4225342E-02 6 2.4328488E-01 -5.2366668E-02 7 3.5046122E-01 -7.2352784E-02 8 3.3077842E-01 -6.0461528E-02 9 1.5804099E-01 4.0281512E-02 10 2.5739393E-02 2.2019437E-01 11 1.0864923E-03 3.8445353E-01 12 2.9175061E-05 4.0529088E-01 13 2.9039536E-05 2.1078156E-01 14 7.9273045E-05 -1.6653082E-05 15 3.0592747E-04 -6.4656919E-05 16 1.1538793E-03 -2.4364251E-04 17 3.1483038E-03 -6.6953749E-04 18 6.5677860E-03 -1.4070708E-03 19 9.8070720E-03 -2.1111060E-03 20 9.8786695E-03 -2.0396229E-03 21 6.5199844E-03 -1.1919544E-03 22 2.1579730E-03 5.5056371E-04 23 2.3871745E-04 2.0492104E-03 24 6.2836822E-06 2.3722055E-03 25 3.8788906E-09 1.5997338E-03 26 1.1460077E-08 5.0884687E-04 3D+ 4D+ -6.4511843E+00 -2.3059325E-01 ------------ ------------ 1 -2.2257246E-04 4.6588309E-05 2 -1.4345625E-03 3.0223392E-04 3 -8.5935742E-03 1.8082652E-03 4 -3.5844196E-02 7.5974127E-03 5 -1.1086951E-01 2.3670117E-02 6 -2.4061503E-01 5.1640522E-02 7 -3.4937771E-01 7.1984717E-02 8 -3.3328884E-01 6.1229965E-02 9 -1.6149962E-01 -3.7422929E-02 10 -2.6821429E-02 -2.1608673E-01 11 -1.1325977E-03 -3.8297261E-01 12 -3.9972857E-05 -4.0792981E-01 13 -2.7685460E-05 -2.1533499E-01 14 -7.1651398E-05 1.4992982E-05 15 -2.8808935E-04 6.0684997E-05 16 -1.1091724E-03 2.3334708E-04 17 -3.0713935E-03 6.5090171E-04 18 -6.4657016E-03 1.3801970E-03 19 -9.7182717E-03 2.0854888E-03 20 -9.8597154E-03 2.0312729E-03 21 -6.5746241E-03 1.2077856E-03 22 -2.2078235E-03 -5.1139798E-04 23 -2.4967548E-04 -2.0110781E-03 24 -6.9866752E-06 -2.3631242E-03 25 -1.5890502E-07 -1.6101856E-03 26 -6.6491286E-08 -5.1985275E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -6.3006785E+02 -8.8905431E+01 -1.5317271E+01 -2.2390670E+00 -2.0118134E-01 ------------ ------------ ------------ ------------ ------------ 1 2.4796699E-06 -8.1484748E-07 -3.3690207E-07 1.2405832E-07 -3.3335711E-08 2 1.3654847E-05 -4.4893295E-06 -1.8558157E-06 6.8298686E-07 -1.8342439E-07 3 3.9188551E-05 -1.2911760E-05 -5.3402864E-06 1.9665788E-06 -5.2844210E-07 4 1.0921492E-04 -3.6047508E-05 -1.4908288E-05 5.4862988E-06 -1.4732206E-06 5 2.9531993E-04 -9.7862684E-05 -4.0510480E-05 1.4923399E-05 -4.0110190E-06 6 8.0724574E-04 -2.6821562E-04 -1.1101014E-04 4.0845494E-05 -1.0965073E-05 7 2.2149596E-03 -7.4008934E-04 -3.0674522E-04 1.1306380E-04 -3.0400394E-05 8 6.0446238E-03 -2.0273982E-03 -8.4001042E-04 3.0900864E-04 -8.2921981E-05 9 1.6136650E-02 -5.4745853E-03 -2.2741449E-03 8.3891845E-04 -2.2567922E-04 10 4.1189322E-02 -1.4202409E-02 -5.9052806E-03 2.1725918E-03 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1.2613311E-08 5.9070289E-07 5.0264131E-07 -5.8578142E-04 2P- 3P- 4P- -8.0850571E+01 -1.2295168E+01 -1.3431243E+00 ------------ ------------ ------------ 1 -8.5115654E-05 -3.5959111E-05 1.2093219E-05 2 -1.7330018E-04 -7.3241816E-05 2.4636668E-05 3 -5.6700253E-04 -2.3993603E-04 8.0698549E-05 4 -1.7687997E-03 -7.5017716E-04 2.5252705E-04 5 -6.4274425E-03 -2.7410782E-03 9.2282854E-04 6 -2.2944807E-02 -9.8846613E-03 3.3357458E-03 7 -7.3160164E-02 -3.2269049E-02 1.0919211E-02 8 -1.8488902E-01 -8.4881698E-02 2.8932341E-02 9 -3.3356469E-01 -1.6220846E-01 5.5752020E-02 10 -3.6319257E-01 -1.7829478E-01 6.1548340E-02 11 -1.7675561E-01 3.4736873E-02 -2.2936167E-02 12 -2.7198265E-02 3.8683847E-01 -1.6988140E-01 13 -1.8546000E-03 4.9563631E-01 -2.5436247E-01 14 -5.8048567E-05 1.9549422E-01 -2.5003637E-02 15 -5.9842000E-05 1.1821721E-02 4.7304871E-01 16 3.4438049E-05 1.5957693E-03 5.4001188E-01 17 -8.3540139E-06 -3.6850986E-04 1.3695366E-01 18 -1.7840185E-05 -7.5501667E-06 2.5383360E-06 19 -5.7861300E-05 -2.4484453E-05 8.2425418E-06 20 -2.0070412E-04 -8.5112619E-05 2.8622505E-05 21 -6.4462854E-04 -2.7369951E-04 9.2172499E-05 22 -1.8998393E-03 -8.1082176E-04 2.7297362E-04 23 -4.8940845E-03 -2.1088804E-03 7.1174113E-04 24 -1.0705151E-02 -4.7227332E-03 1.5980805E-03 25 -1.8517971E-02 -8.5046978E-03 2.8990642E-03 26 -2.3115423E-02 -1.1249590E-02 3.8668960E-03 27 -1.7627034E-02 -8.6691512E-03 2.9936286E-03 28 -6.0236574E-03 1.2077637E-03 -7.9269139E-04 29 -6.1800530E-04 9.4618180E-03 -4.1534325E-03 30 -1.2369303E-07 8.5605810E-03 -4.3921890E-03 31 1.5694329E-05 2.3572028E-03 -3.0256362E-04 32 1.2946894E-05 9.8540176E-05 3.8993832E-03 33 3.9406437E-06 9.0504838E-06 2.9649930E-03 34 6.5542178E-06 -7.9423376E-07 4.8295638E-04 2P+ 3P+ 4P+ -7.8009195E+01 -1.1832623E+01 -1.2855528E+00 ------------ ------------ ------------ 1 2.1472984E-06 -9.1206243E-07 3.0570818E-07 2 1.6501012E-05 -7.0082834E-06 2.3547703E-06 3 1.2485880E-04 -5.3111469E-05 1.7812667E-05 4 7.9406624E-04 -3.3817577E-04 1.1362065E-04 5 4.2516620E-03 -1.8190240E-03 6.1079085E-04 6 1.8547837E-02 -8.0111938E-03 2.6969288E-03 7 6.5130347E-02 -2.8777135E-02 9.7109213E-03 8 1.7399426E-01 -7.9995627E-02 2.7192689E-02 9 3.2692424E-01 -1.5921545E-01 5.4564889E-02 10 3.7100131E-01 -1.8542871E-01 6.4021938E-02 11 1.9047982E-01 1.4622899E-02 -1.4727205E-02 12 3.1694822E-02 3.7011930E-01 -1.6138234E-01 13 2.1151705E-03 5.0486876E-01 -2.5724721E-01 14 8.4001041E-05 2.1315825E-01 -4.7244069E-02 15 5.7285552E-05 1.4771200E-02 4.5318870E-01 16 -3.4931160E-05 1.7058461E-03 5.5351048E-01 17 8.4898446E-06 -3.8978848E-04 1.5453775E-01 18 4.9839615E-06 -2.1146169E-06 7.0800148E-07 19 2.6014628E-05 -1.1026295E-05 3.7052547E-06 20 1.2164024E-04 -5.1628451E-05 1.7306515E-05 21 4.7180021E-04 -2.0044822E-04 6.7327311E-05 22 1.5601307E-03 -6.6591083E-04 2.2351235E-04 23 4.3128755E-03 -1.8586558E-03 6.2550709E-04 24 9.8854657E-03 -4.3587480E-03 1.4704051E-03 25 1.7721555E-02 -8.1329997E-03 2.7639186E-03 26 2.2870626E-02 -1.1121338E-02 3.8105796E-03 27 1.8144510E-02 -9.0589484E-03 3.1274595E-03 28 6.5822519E-03 4.9742752E-04 -5.0482654E-04 29 7.7625530E-04 9.0473155E-03 -3.9439896E-03 30 3.6619029E-05 8.7169969E-03 -4.4406777E-03 31 9.8014161E-07 2.5688669E-03 -5.6955156E-04 32 4.8751712E-07 1.2179789E-04 3.7367083E-03 33 -1.9795753E-07 9.3819543E-06 3.0394152E-03 34 3.1714974E-08 -1.3801638E-06 5.4558748E-04 3D- 4D- -6.5332910E+00 -2.3268827E-01 ------------ ------------ 1 2.9916500E-04 -6.2875185E-05 2 1.5991127E-03 -3.3792782E-04 3 9.1590251E-03 -1.9340076E-03 4 3.7045239E-02 -7.8781501E-03 5 1.1307781E-01 -2.4225341E-02 6 2.4328488E-01 -5.2366666E-02 7 3.5046122E-01 -7.2352782E-02 8 3.3077842E-01 -6.0461527E-02 9 1.5804100E-01 4.0281509E-02 10 2.5739394E-02 2.2019437E-01 11 1.0864922E-03 3.8445352E-01 12 2.9175269E-05 4.0529089E-01 13 2.9039542E-05 2.1078157E-01 14 7.9273044E-05 -1.6653082E-05 15 3.0592747E-04 -6.4656917E-05 16 1.1538792E-03 -2.4364251E-04 17 3.1483038E-03 -6.6953747E-04 18 6.5677859E-03 -1.4070708E-03 19 9.8070719E-03 -2.1111060E-03 20 9.8786695E-03 -2.0396228E-03 21 6.5199844E-03 -1.1919544E-03 22 2.1579731E-03 5.5056367E-04 23 2.3871746E-04 2.0492103E-03 24 6.2836812E-06 2.3722054E-03 25 3.8796728E-09 1.5997338E-03 26 1.1460110E-08 5.0884691E-04 3D+ 4D+ -6.4511842E+00 -2.3059324E-01 ------------ ------------ 1 -2.2257245E-04 4.6588308E-05 2 -1.4345625E-03 3.0223391E-04 3 -8.5935741E-03 1.8082651E-03 4 -3.5844196E-02 7.5974125E-03 5 -1.1086951E-01 2.3670116E-02 6 -2.4061503E-01 5.1640521E-02 7 -3.4937771E-01 7.1984715E-02 8 -3.3328884E-01 6.1229964E-02 9 -1.6149962E-01 -3.7422927E-02 10 -2.6821430E-02 -2.1608672E-01 11 -1.1325977E-03 -3.8297261E-01 12 -3.9972896E-05 -4.0792981E-01 13 -2.7685436E-05 -2.1533501E-01 14 -7.1651397E-05 1.4992981E-05 15 -2.8808935E-04 6.0684995E-05 16 -1.1091724E-03 2.3334707E-04 17 -3.0713935E-03 6.5090169E-04 18 -6.4657016E-03 1.3801970E-03 19 -9.7182717E-03 2.0854887E-03 20 -9.8597154E-03 2.0312728E-03 21 -6.5746241E-03 1.2077855E-03 22 -2.2078235E-03 -5.1139795E-04 23 -2.4967548E-04 -2.0110780E-03 24 -6.9866751E-06 -2.3631241E-03 25 -1.5890517E-07 -1.6101856E-03 26 -6.6491229E-08 -5.1985280E-04 ____________________ SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1649678507E+09 0.1000000000E+01 0.1000000000E+01 2 0.3842600909E+08 0.1000000000E+01 0.1000000000E+01 3 0.9810150190E+07 0.1000000000E+01 0.1000000000E+01 4 0.2727640261E+07 0.1000000000E+01 0.1000000000E+01 5 0.8207223105E+06 0.1000000000E+01 0.1000000000E+01 6 0.2655459906E+06 0.1000000000E+01 0.1000000000E+01 7 0.9180244962E+05 0.1000000000E+01 0.1000000000E+01 8 0.3369585295E+05 0.1000000000E+01 0.1000000000E+01 9 0.1304797007E+05 0.1000000000E+01 0.1000000000E+01 10 0.5296517526E+04 0.1000000000E+01 0.1000000000E+01 11 0.2239522809E+04 0.1000000000E+01 0.1000000000E+01 12 0.9801100245E+03 0.1000000000E+01 0.1000000000E+01 13 0.4411487856E+03 0.1000000000E+01 0.1000000000E+01 14 0.2029190923E+03 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11 0.3056073768E+00 0.1000000000E+01 0.1000000000E+01 12 0.1202677186E+00 0.1000000000E+01 0.1000000000E+01 13 0.4318152376E-01 0.1000000000E+01 0.1000000000E+01 D+ 1 0.1084407387E+04 0.1000000000E+01 0.1000000000E+01 2 0.4034791886E+03 0.1000000000E+01 0.1000000000E+01 3 0.1634826444E+03 0.1000000000E+01 0.1000000000E+01 4 0.7086930822E+02 0.1000000000E+01 0.1000000000E+01 5 0.3229199959E+02 0.1000000000E+01 0.1000000000E+01 6 0.1519483781E+02 0.1000000000E+01 0.1000000000E+01 7 0.7253970181E+01 0.1000000000E+01 0.1000000000E+01 8 0.3451820553E+01 0.1000000000E+01 0.1000000000E+01 9 0.1608524138E+01 0.1000000000E+01 0.1000000000E+01 10 0.7211540770E+00 0.1000000000E+01 0.1000000000E+01 11 0.3056073768E+00 0.1000000000E+01 0.1000000000E+01 12 0.1202677186E+00 0.1000000000E+01 0.1000000000E+01 13 0.4318152376E-01 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 4 3 3 1 1 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+ 5S+ -6.2999672E+02 -8.8828559E+01 -1.5239640E+01 -2.1618157E+00 -1.8910507E-01 ------------ ------------ ------------ ------------ ------------ 1 -2.4185070E-06 7.9470396E-07 3.2853451E-07 1.2025896E-07 3.0325923E-08 2 -1.4482835E-05 4.7619321E-06 1.9682203E-06 7.1978346E-07 1.8142733E-07 3 -4.0014306E-05 1.3183977E-05 5.4522399E-06 1.9958458E-06 5.0329418E-07 4 -1.1225383E-04 3.7055763E-05 1.5322996E-05 5.6027691E-06 1.4120739E-06 5 -3.0272219E-04 1.0031373E-04 4.1520571E-05 1.5206352E-05 3.8353075E-06 6 -8.3104021E-04 2.7618901E-04 1.1429297E-04 4.1776426E-05 1.0526731E-05 7 -2.2918944E-03 7.6574613E-04 3.1734771E-04 1.1631393E-04 2.9345251E-05 8 -6.3007337E-03 2.1143303E-03 8.7591231E-04 3.2002253E-04 8.0615594E-05 9 -1.6964552E-02 5.7567739E-03 2.3912566E-03 8.7736959E-04 2.2143873E-04 10 -4.3652836E-02 1.5079220E-02 6.2700708E-03 2.2905924E-03 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6.8583263E-03 2.5091808E-03 6.3174194E-04 38 -4.4858695E-02 2.1076062E-02 9.1816833E-03 3.4064883E-03 8.6191876E-04 39 -2.8289462E-02 1.8215464E-02 8.3095292E-03 3.0622998E-03 7.7010548E-04 40 -6.5566565E-03 1.3792296E-03 6.4902091E-04 2.9772886E-04 8.1611750E-05 41 -1.8858733E-04 -2.0150072E-02 -1.3421210E-02 -5.4317570E-03 -1.3951206E-03 42 -3.3196205E-05 -1.6101535E-02 -1.5769114E-02 -6.5722833E-03 -1.6741463E-03 43 1.2561719E-05 -2.3168034E-03 1.9106823E-03 7.9591013E-04 1.8231785E-04 44 -4.0562067E-06 -9.2109292E-05 1.1244292E-02 7.7033515E-03 2.1582334E-03 45 1.7865869E-06 1.3680405E-05 3.3124563E-03 4.0171006E-03 1.1508979E-03 46 -6.7597222E-07 -6.9655398E-06 -2.4320553E-05 -3.9863870E-03 -1.3667372E-03 47 2.2630152E-07 3.0500891E-06 3.9524522E-05 -2.8128820E-03 -1.4544500E-03 48 -7.2256050E-08 -9.5791058E-07 -1.0725813E-05 -1.9590248E-04 -3.7191196E-04 49 1.8710739E-08 2.6098262E-07 2.8708650E-06 -3.6088683E-06 1.0248982E-03 50 -2.9990604E-09 -4.4651816E-08 -4.8011722E-07 3.8264469E-08 6.4351341E-04 2P- 3P- 4P- -8.0774943E+01 -1.2218729E+01 -1.2765809E+00 ------------ ------------ ------------ 1 -8.6799501E-05 -3.6669921E-05 -1.2238822E-05 2 -1.7655012E-04 -7.4610907E-05 -2.4908039E-05 3 -5.7936037E-04 -2.4518245E-04 -8.1835151E-05 4 -1.8146938E-03 -7.6958574E-04 -2.5712298E-04 5 -6.6177780E-03 -2.8229672E-03 -9.4313405E-04 6 -2.3648979E-02 -1.0189787E-02 -3.4132263E-03 7 -7.5286192E-02 -3.3237987E-02 -1.1161935E-02 8 -1.8920048E-01 -8.6955046E-02 -2.9424760E-02 9 -3.3784457E-01 -1.6464345E-01 -5.6165785E-02 10 -3.6066155E-01 -1.7596487E-01 -6.0241178E-02 11 -1.6990567E-01 4.5415370E-02 2.7142802E-02 12 -2.5062319E-02 3.9646967E-01 1.7274946E-01 13 -1.7047357E-03 4.9065632E-01 2.5184303E-01 14 -6.1453637E-05 1.8510859E-01 9.9417384E-03 15 -4.7470463E-05 1.0442281E-02 -4.7456711E-01 16 3.0436398E-05 1.5600337E-03 -5.2812640E-01 17 -5.5889606E-06 -2.9042910E-04 -1.4135012E-01 18 -1.8243103E-05 -7.7221878E-06 -2.5761335E-06 19 -5.9172689E-05 -2.5032871E-05 -8.3648743E-06 20 -2.0542754E-04 -8.7134358E-05 -2.9076173E-05 21 -6.5994255E-04 -2.8015454E-04 -9.3645876E-05 22 -1.9445211E-03 -8.3012467E-04 -2.7732849E-04 23 -5.0023358E-03 -2.1558532E-03 -7.2220842E-04 24 -1.0911611E-02 -4.8183842E-03 -1.6180959E-03 25 -1.8758206E-02 -8.6243866E-03 -2.9186188E-03 26 -2.3166498E-02 -1.1298939E-02 -3.8548178E-03 27 -1.7314840E-02 -8.4637730E-03 -2.8985599E-03 28 -5.7238382E-03 1.5584536E-03 9.2734688E-04 29 -5.5966993E-04 9.5896617E-03 4.1766811E-03 30 2.2853452E-06 8.3798738E-03 4.3001090E-03 31 1.5371291E-05 2.2070938E-03 1.1974783E-04 32 1.2838359E-05 8.6192909E-05 -3.8686408E-03 33 3.8405442E-06 8.7555451E-06 -2.8683537E-03 34 6.4640117E-06 -5.1568919E-07 -4.9329259E-04 2P+ 3P+ 4P+ -7.7933463E+01 -1.1756158E+01 -1.2195880E+00 ------------ ------------ ------------ 1 2.2299265E-06 9.4754652E-07 -3.1497305E-07 2 1.7121841E-05 7.2689774E-06 -2.4235621E-06 3 1.2952900E-04 5.5114224E-05 -1.8333027E-05 4 8.2311957E-04 3.5047351E-04 -1.1683348E-04 5 4.4033484E-03 1.8844955E-03 -6.2765004E-04 6 1.9175287E-02 8.2832635E-03 -2.7667611E-03 7 6.7139815E-02 2.9693101E-02 -9.9398977E-03 8 1.7826680E-01 8.2046983E-02 -2.7677010E-02 9 3.3149813E-01 1.6180482E-01 -5.5015031E-02 10 3.6893187E-01 1.8355213E-01 -6.2844301E-02 11 1.8348284E-01 -2.5040176E-02 1.8843302E-02 12 2.9277154E-02 -3.8030913E-01 1.6441501E-01 13 1.9421680E-03 -5.0072048E-01 2.5514091E-01 14 8.2745637E-05 -2.0238964E-01 3.2433878E-02 15 4.6577365E-05 -1.3098790E-02 -4.5552945E-01 16 -3.1665791E-05 -1.6880310E-03 -5.4127065E-01 17 5.7649666E-06 3.0742441E-04 -1.5916245E-01 18 5.1443624E-06 2.1842194E-06 -7.2509892E-07 19 2.6778471E-05 1.1343711E-05 -3.7829341E-06 20 1.2505359E-04 5.3095566E-05 -1.7651926E-05 21 4.8437230E-04 2.0574023E-04 -6.8566593E-05 22 1.5998314E-03 6.8307278E-04 -2.2741455E-04 23 4.4138602E-03 1.9024162E-03 -6.3524098E-04 24 1.0086133E-02 4.4514757E-03 -1.4896789E-03 25 1.7967501E-02 8.2546811E-03 -2.7838544E-03 26 2.2944691E-02 1.1182467E-02 -3.8013173E-03 27 1.7848667E-02 8.8707546E-03 -3.0369166E-03 28 6.2709087E-03 -8.4735607E-04 6.3970174E-04 29 7.0908383E-04 -9.1933608E-03 3.9735701E-03 30 3.3242114E-05 -8.5487806E-03 4.3551160E-03 31 9.5956715E-07 -2.4118370E-03 3.8674999E-04 32 3.9218764E-07 -1.0681018E-04 -3.7144622E-03 33 -1.7702488E-07 -9.1830978E-06 -2.9400410E-03 34 2.1555459E-08 1.0778192E-06 -5.5606142E-04 3D- 4D- -6.4580481E+00 -1.6502377E-01 ------------ ------------ 1 -3.7863420E-04 7.1106959E-05 2 -1.9962897E-03 3.7490306E-04 3 -1.1361107E-02 2.1425223E-03 4 -4.5205140E-02 8.5588833E-03 5 -1.3594623E-01 2.6035694E-02 6 -2.7794557E-01 5.2969371E-02 7 -3.7298223E-01 6.8007682E-02 8 -3.0466464E-01 4.1538629E-02 9 -1.0869555E-01 -8.0320708E-02 10 -1.0909975E-02 -2.4913580E-01 11 -5.3013023E-04 -3.7219119E-01 12 6.5134063E-06 -3.8814871E-01 13 -5.0644356E-05 -2.1688830E-01 14 -9.6573906E-05 1.8140780E-05 15 -3.6345448E-04 6.8252099E-05 16 -1.3583009E-03 2.5616095E-04 17 -3.6301096E-03 6.8730000E-04 18 -7.4160165E-03 1.4203134E-03 19 -1.0434219E-02 1.9886460E-03 20 -9.6853599E-03 1.7661337E-03 21 -5.4602477E-03 7.4462357E-04 22 -1.3288986E-03 -9.8326170E-04 23 -8.8790038E-05 -2.0422196E-03 24 -2.5193154E-06 -1.9861842E-03 25 9.7352971E-08 -1.2994178E-03 26 -6.3164345E-08 -4.3507313E-04 3D+ 4D+ -6.3759131E+00 -1.6335268E-01 ------------ ------------ 1 2.8916707E-04 5.4002942E-05 2 1.8071133E-03 3.3744949E-04 3 1.0713521E-02 2.0087362E-03 4 4.3854447E-02 8.2555653E-03 5 1.3351388E-01 2.5421727E-02 6 2.7530354E-01 5.2196317E-02 7 3.7263809E-01 6.7672709E-02 8 3.0799968E-01 4.2575564E-02 9 1.1164547E-01 -7.6949624E-02 10 1.1436814E-02 -2.4512764E-01 11 5.5182753E-04 -3.7100032E-01 12 -4.2466947E-06 -3.9068083E-01 13 5.1990144E-05 -2.2228359E-01 14 8.7799300E-05 1.6393973E-05 15 3.4332823E-04 6.4097458E-05 16 1.3086944E-03 2.4533223E-04 17 3.5470781E-03 6.6762944E-04 18 7.3096553E-03 1.3916064E-03 19 1.0352749E-02 1.9626234E-03 20 9.6866691E-03 1.7589815E-03 21 5.5243704E-03 7.6364245E-04 22 1.3670630E-03 -9.4198970E-04 23 9.3780694E-05 -2.0094449E-03 24 2.9401502E-06 -1.9798708E-03 25 -1.2254112E-08 -1.3079175E-03 26 1.0368439E-07 -4.4590413E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -6.2999677E+02 -8.8828564E+01 -1.5239641E+01 -2.1618158E+00 -1.8910509E-01 ------------ ------------ ------------ ------------ ------------ 1 -2.7797798E-06 9.1341865E-07 -3.7760614E-07 1.3821426E-07 -3.4852888E-08 2 -1.4136430E-05 4.6480998E-06 -1.9211670E-06 7.0256693E-07 -1.7708666E-07 3 -4.0338295E-05 1.3290463E-05 -5.4962581E-06 2.0119521E-06 -5.0735491E-07 4 -1.1194950E-04 3.6955742E-05 -1.5281651E-05 5.5876404E-06 -1.4082596E-06 5 -3.0303460E-04 1.0041645E-04 -4.1563032E-05 1.5221889E-05 -3.8392246E-06 6 -8.3072218E-04 2.7608443E-04 -1.1424973E-04 4.1760605E-05 -1.0522742E-05 7 -2.2922424E-03 7.6586070E-04 -3.1739508E-04 1.1633126E-04 -2.9349621E-05 8 -6.3003655E-03 2.1142089E-03 -8.7586207E-04 3.2000415E-04 -8.0610957E-05 9 -1.6964971E-02 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-2.2741455E-04 23 4.4138602E-03 1.9024162E-03 -6.3524097E-04 24 1.0086133E-02 4.4514756E-03 -1.4896789E-03 25 1.7967501E-02 8.2546811E-03 -2.7838544E-03 26 2.2944691E-02 1.1182467E-02 -3.8013173E-03 27 1.7848667E-02 8.8707546E-03 -3.0369166E-03 28 6.2709087E-03 -8.4735601E-04 6.3970172E-04 29 7.0908384E-04 -9.1933607E-03 3.9735701E-03 30 3.3242114E-05 -8.5487806E-03 4.3551160E-03 31 9.5956739E-07 -2.4118371E-03 3.8675000E-04 32 3.9218756E-07 -1.0681019E-04 -3.7144622E-03 33 -1.7702486E-07 -9.1830978E-06 -2.9400410E-03 34 2.1555457E-08 1.0778193E-06 -5.5606144E-04 3D- 4D- -6.4580481E+00 -1.6502376E-01 ------------ ------------ 1 -3.7863419E-04 7.1106957E-05 2 -1.9962897E-03 3.7490304E-04 3 -1.1361107E-02 2.1425222E-03 4 -4.5205139E-02 8.5588830E-03 5 -1.3594623E-01 2.6035693E-02 6 -2.7794557E-01 5.2969369E-02 7 -3.7298223E-01 6.8007681E-02 8 -3.0466464E-01 4.1538628E-02 9 -1.0869555E-01 -8.0320704E-02 10 -1.0909975E-02 -2.4913579E-01 11 -5.3013022E-04 -3.7219118E-01 12 6.5134084E-06 -3.8814871E-01 13 -5.0644360E-05 -2.1688833E-01 14 -9.6573905E-05 1.8140779E-05 15 -3.6345447E-04 6.8252096E-05 16 -1.3583009E-03 2.5616094E-04 17 -3.6301096E-03 6.8729998E-04 18 -7.4160165E-03 1.4203134E-03 19 -1.0434219E-02 1.9886460E-03 20 -9.6853599E-03 1.7661336E-03 21 -5.4602477E-03 7.4462357E-04 22 -1.3288986E-03 -9.8326166E-04 23 -8.8790041E-05 -2.0422196E-03 24 -2.5193153E-06 -1.9861841E-03 25 9.7352989E-08 -1.2994178E-03 26 -6.3164357E-08 -4.3507318E-04 3D+ 4D+ -6.3759131E+00 -1.6335267E-01 ------------ ------------ 1 2.8916707E-04 5.4002940E-05 2 1.8071132E-03 3.3744948E-04 3 1.0713521E-02 2.0087361E-03 4 4.3854447E-02 8.2555650E-03 5 1.3351388E-01 2.5421727E-02 6 2.7530354E-01 5.2196316E-02 7 3.7263809E-01 6.7672708E-02 8 3.0799968E-01 4.2575564E-02 9 1.1164548E-01 -7.6949621E-02 10 1.1436815E-02 -2.4512763E-01 11 5.5182754E-04 -3.7100031E-01 12 -4.2466984E-06 -3.9068083E-01 13 5.1990131E-05 -2.2228362E-01 14 8.7799299E-05 1.6393972E-05 15 3.4332823E-04 6.4097456E-05 16 1.3086944E-03 2.4533222E-04 17 3.5470781E-03 6.6762942E-04 18 7.3096553E-03 1.3916064E-03 19 1.0352749E-02 1.9626233E-03 20 9.6866690E-03 1.7589814E-03 21 5.5243704E-03 7.6364244E-04 22 1.3670630E-03 -9.4198966E-04 23 9.3780697E-05 -2.0094448E-03 24 2.9401503E-06 -1.9798708E-03 25 -1.2254125E-08 -1.3079174E-03 26 1.0368437E-07 -4.4590418E-04 ******************** ZIRCONIUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1832595584E+09 0.1000000000E+01 0.1000000000E+01 2 0.4127169001E+08 0.1000000000E+01 0.1000000000E+01 3 0.1027097858E+08 0.1000000000E+01 0.1000000000E+01 4 0.2804610332E+07 0.1000000000E+01 0.1000000000E+01 5 0.8343755202E+06 0.1000000000E+01 0.1000000000E+01 6 0.2685382031E+06 0.1000000000E+01 0.1000000000E+01 7 0.9283960544E+05 0.1000000000E+01 0.1000000000E+01 8 0.3423500210E+05 0.1000000000E+01 0.1000000000E+01 9 0.1337040243E+05 0.1000000000E+01 0.1000000000E+01 10 0.5491396841E+04 0.1000000000E+01 0.1000000000E+01 11 0.2355117568E+04 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0.1000000000E+01 0.1000000000E+01 7 0.3806755547E+03 0.1000000000E+01 0.1000000000E+01 8 0.1681908897E+03 0.1000000000E+01 0.1000000000E+01 9 0.7878635935E+02 0.1000000000E+01 0.1000000000E+01 10 0.3849852565E+02 0.1000000000E+01 0.1000000000E+01 11 0.1930745713E+02 0.1000000000E+01 0.1000000000E+01 12 0.9777715382E+01 0.1000000000E+01 0.1000000000E+01 13 0.4919539467E+01 0.1000000000E+01 0.1000000000E+01 14 0.2419522512E+01 0.1000000000E+01 0.1000000000E+01 15 0.1144449045E+01 0.1000000000E+01 0.1000000000E+01 16 0.5122338159E+00 0.1000000000E+01 0.1000000000E+01 17 0.2134462040E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.1526852285E+04 0.1000000000E+01 0.1000000000E+01 2 0.5356762263E+03 0.1000000000E+01 0.1000000000E+01 3 0.2084007678E+03 0.1000000000E+01 0.1000000000E+01 4 0.8820535192E+02 0.1000000000E+01 0.1000000000E+01 5 0.3984706396E+02 0.1000000000E+01 0.1000000000E+01 6 0.1884996601E+02 0.1000000000E+01 0.1000000000E+01 7 0.9161039549E+01 0.1000000000E+01 0.1000000000E+01 8 0.4487515624E+01 0.1000000000E+01 0.1000000000E+01 9 0.2173708510E+01 0.1000000000E+01 0.1000000000E+01 10 0.1021498754E+01 0.1000000000E+01 0.1000000000E+01 11 0.4569015881E+00 0.1000000000E+01 0.1000000000E+01 12 0.1908371279E+00 0.1000000000E+01 0.1000000000E+01 13 0.7302398706E-01 0.1000000000E+01 0.1000000000E+01 D+ 1 0.1526852285E+04 0.1000000000E+01 0.1000000000E+01 2 0.5356762263E+03 0.1000000000E+01 0.1000000000E+01 3 0.2084007678E+03 0.1000000000E+01 0.1000000000E+01 4 0.8820535192E+02 0.1000000000E+01 0.1000000000E+01 5 0.3984706396E+02 0.1000000000E+01 0.1000000000E+01 6 0.1884996601E+02 0.1000000000E+01 0.1000000000E+01 7 0.9161039549E+01 0.1000000000E+01 0.1000000000E+01 8 0.4487515624E+01 0.1000000000E+01 0.1000000000E+01 9 0.2173708510E+01 0.1000000000E+01 0.1000000000E+01 10 0.1021498754E+01 0.1000000000E+01 0.1000000000E+01 11 0.4569015881E+00 0.1000000000E+01 0.1000000000E+01 12 0.1908371279E+00 0.1000000000E+01 0.1000000000E+01 13 0.7302398706E-01 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 5 3 3 1 1 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+ 5S+ -6.6553066E+02 -9.4849027E+01 -1.6699921E+01 -2.5125996E+00 -2.1516545E-01 ------------ ------------ ------------ ------------ ------------ 1 -2.1697955E-06 -7.1593815E-07 2.9833422E-07 -1.1288342E-07 3.0581655E-08 2 -1.5382983E-05 -5.0786593E-06 2.1159154E-06 -8.0010174E-07 2.1664201E-07 3 -4.2988609E-05 -1.4223406E-05 5.9289918E-06 -2.2434133E-06 6.0774631E-07 4 -1.2152820E-04 -4.0287838E-05 1.6793223E-05 -6.3496576E-06 1.7190737E-06 5 -3.2727143E-04 -1.0893391E-04 4.5449566E-05 -1.7203801E-05 4.6615725E-06 6 -8.9372990E-04 -2.9838466E-04 1.2447642E-04 -4.7057020E-05 1.2736667E-05 7 -2.4388549E-03 -8.1889040E-04 3.4211348E-04 -1.2958012E-04 3.5124534E-05 8 -6.6095933E-03 -2.2290863E-03 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-8.5990631E-08 2.1340347E-07 -1.3791258E-05 2.1236683E-04 -2.5527463E-04 49 2.2119476E-08 -6.1969378E-08 3.6571910E-06 4.0999580E-06 1.2432031E-03 50 -3.6375065E-09 1.0903189E-08 -5.9657847E-07 -9.4183348E-07 5.8050592E-04 2P- 3P- 4P- -8.6505088E+01 -1.3535469E+01 -1.5476039E+00 ------------ ------------ ------------ 1 8.3086068E-05 3.5458479E-05 1.2353780E-05 2 1.7627235E-04 7.5254132E-05 2.6222909E-05 3 5.7025735E-04 2.4375441E-04 8.4935259E-05 4 1.7756379E-03 7.6071776E-04 2.6526696E-04 5 6.4109007E-03 2.7618077E-03 9.6336863E-04 6 2.2882009E-02 9.9583269E-03 3.4814957E-03 7 7.2916300E-02 3.2490414E-02 1.1393010E-02 8 1.8394710E-01 8.5322340E-02 3.0138394E-02 9 3.3103507E-01 1.6264699E-01 5.7964740E-02 10 3.6163845E-01 1.7956566E-01 6.4264357E-02 11 1.7987913E-01 -2.8343383E-02 -2.1424797E-02 12 2.9294353E-02 -3.7854605E-01 -1.7379195E-01 13 1.9090809E-03 -4.9860388E-01 -2.6711729E-01 14 9.5130389E-05 -2.0279742E-01 -2.9763224E-02 15 3.5535712E-05 -1.3241628E-02 4.8453072E-01 16 -2.9419262E-05 -1.6085886E-03 5.3582844E-01 17 5.2950424E-06 3.3215955E-04 1.3437601E-01 18 1.7490786E-05 7.4771918E-06 2.6045778E-06 19 5.7790255E-05 2.4704422E-05 8.6143458E-06 20 2.0167839E-04 8.6399446E-05 3.0105116E-05 21 6.5342931E-04 2.8028761E-04 9.7777468E-05 22 1.9390321E-03 8.3602800E-04 2.9162910E-04 23 5.0192238E-03 2.1849862E-03 7.6395390E-04 24 1.0991325E-02 4.8986718E-03 1.7177677E-03 25 1.8996119E-02 8.8146900E-03 3.1138345E-03 26 2.3689452E-02 1.1648991E-02 4.1519180E-03 27 1.8169417E-02 9.0390882E-03 3.2361356E-03 28 6.3670308E-03 -1.0263430E-03 -7.6956176E-04 29 6.9589756E-04 -9.6600919E-03 -4.4328736E-03 30 -8.4150694E-07 -9.0268708E-03 -4.8346126E-03 31 -1.6828300E-05 -2.5757492E-03 -3.7926211E-04 32 -1.4990515E-05 -1.1676297E-04 4.2275883E-03 33 -4.2433246E-06 -9.7018950E-06 3.1285272E-03 34 -7.5955501E-06 6.7697030E-07 5.0584781E-04 2P+ 3P+ 4P+ -8.3327778E+01 -1.3009356E+01 -1.4778573E+00 ------------ ------------ ------------ 1 -1.8797308E-06 8.0692544E-07 2.8032993E-07 2 -1.4976041E-05 6.4288320E-06 2.2376512E-06 3 -1.1624361E-04 4.9977739E-05 1.7371816E-05 4 -7.5752797E-04 3.2608184E-04 1.1350603E-04 5 -4.1313076E-03 1.7864493E-03 6.2165905E-04 6 -1.8250454E-02 7.9669163E-03 2.7789707E-03 7 -6.4461168E-02 2.8784583E-02 1.0067879E-02 8 -1.7246763E-01 8.0144014E-02 2.8236816E-02 9 -3.2397042E-01 1.5947718E-01 5.6681948E-02 10 -3.6956969E-01 1.8697751E-01 6.6949687E-02 11 -1.9431822E-01 -7.3014460E-03 -1.2515688E-02 12 -3.4297503E-02 -3.6059990E-01 -1.6442119E-01 13 -2.2166169E-03 -5.0776666E-01 -2.7006991E-01 14 -1.2521124E-04 -2.2159764E-01 -5.4111816E-02 15 -3.0811159E-05 -1.6582391E-02 4.6379727E-01 16 2.9446489E-05 -1.7233493E-03 5.5059109E-01 17 -5.1645697E-06 3.4695914E-04 1.5242055E-01 18 -4.4893975E-06 1.9251251E-06 6.6814784E-07 19 -2.4521254E-05 1.0504169E-05 3.6562625E-06 20 -1.1800862E-04 5.0619820E-05 1.7586081E-05 21 -4.6824837E-04 2.0105026E-04 6.9960405E-05 22 -1.5722818E-03 6.7818342E-04 2.3589980E-04 23 -4.3890141E-03 1.9113957E-03 6.6648474E-04 24 -1.0101663E-02 4.5008879E-03 1.5737144E-03 25 -1.8130867E-02 8.4090867E-03 2.9619012E-03 26 -2.3417644E-02 1.1508914E-02 4.0895669E-03 27 -1.8718894E-02 9.4595595E-03 3.3867814E-03 28 -6.9776299E-03 -2.5393370E-04 -4.4490088E-04 29 -8.7648950E-04 -9.1959132E-03 -4.1919745E-03 30 -4.0228197E-05 -9.1894000E-03 -4.8865325E-03 31 -1.5549452E-06 -2.8130879E-03 -6.8715625E-04 32 -2.8518487E-07 -1.4473845E-04 4.0479286E-03 33 1.7858186E-07 -1.0080138E-05 3.2150755E-03 34 -2.1337916E-08 1.3123972E-06 5.7454367E-04 3D- 4D- -7.4544837E+00 -2.9310444E-01 ------------ ------------ 1 -2.3413940E-04 -5.5813257E-05 2 -1.3851467E-03 -3.3113812E-04 3 -8.4635167E-03 -2.0266702E-03 4 -3.6317692E-02 -8.7465331E-03 5 -1.1434093E-01 -2.7805513E-02 6 -2.4829662E-01 -6.0595897E-02 7 -3.5546196E-01 -8.3229709E-02 8 -3.2777777E-01 -6.5812626E-02 9 -1.4948025E-01 5.6099154E-02 10 -2.3003731E-02 2.5575203E-01 11 -1.0324480E-03 4.0500727E-01 12 -7.5397220E-05 3.7366125E-01 13 -4.7501140E-05 1.6123203E-01 14 -6.6312091E-05 -1.5804739E-05 15 -2.8391831E-04 -6.7877952E-05 16 -1.1334536E-03 -2.7141336E-04 17 -3.2428952E-03 -7.8100555E-04 18 -6.9199080E-03 -1.6828127E-03 19 -1.0375463E-02 -2.5322947E-03 20 -1.0370209E-02 -2.4283749E-03 21 -6.6972552E-03 -1.3449676E-03 22 -2.1249568E-03 7.9829516E-04 23 -2.2345217E-04 2.4950338E-03 24 -6.2629574E-06 2.6426508E-03 25 -1.8193508E-07 1.5757310E-03 26 -5.3213279E-08 4.2058332E-04 3D+ 4D+ -7.3592870E+00 -2.8935523E-01 ------------ ------------ 1 1.6609160E-04 3.9426572E-05 2 1.2195202E-03 2.9048146E-04 3 7.8916316E-03 1.8822747E-03 4 3.5034633E-02 8.4051741E-03 5 1.1198102E-01 2.7124150E-02 6 2.4545769E-01 5.9701608E-02 7 3.5443583E-01 8.2797373E-02 8 3.3053778E-01 6.6812573E-02 9 1.5299305E-01 -5.2592627E-02 10 2.4018251E-02 -2.5114091E-01 11 1.0771096E-03 -4.0382712E-01 12 8.5691473E-05 -3.7729143E-01 13 4.7824758E-05 -1.6620394E-01 14 5.9177020E-05 1.4043108E-05 15 2.6549375E-04 6.3225261E-05 16 1.0857598E-03 2.5891399E-04 17 3.1576636E-03 7.5741837E-04 18 6.8064806E-03 1.6483993E-03 19 1.0278421E-02 2.4996492E-03 20 1.0353079E-02 2.4182529E-03 21 6.7595220E-03 1.3662508E-03 22 2.1777835E-03 -7.4832197E-04 23 2.3438096E-04 -2.4501790E-03 24 7.0270417E-06 -2.6350315E-03 25 3.6223204E-07 -1.5910832E-03 26 1.2449305E-07 -4.3357092E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -6.6553072E+02 -9.4849033E+01 -1.6699922E+01 -2.5125997E+00 -2.1516547E-01 ------------ ------------ ------------ ------------ ------------ 1 -2.5800176E-06 -8.5129681E-07 -3.5473229E-07 1.3421693E-07 -3.6359780E-08 2 -1.5003847E-05 -4.9535582E-06 -2.0637915E-06 7.8038546E-07 -2.1130198E-07 3 -4.3341955E-05 -1.4340020E-05 -5.9775809E-06 2.2617928E-06 -6.1272426E-07 4 -1.2119538E-04 -4.0178005E-05 -1.6747459E-05 6.3323470E-06 -1.7143852E-06 5 -3.2761646E-04 -1.0904781E-04 -4.5497030E-05 1.7221756E-05 -4.6664352E-06 6 -8.9337491E-04 -2.9826744E-04 -1.2442758E-04 4.7038544E-05 -1.2731663E-05 7 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8.5691528E-05 -3.7729144E-01 13 4.7824733E-05 -1.6620395E-01 14 5.9177019E-05 1.4043107E-05 15 2.6549375E-04 6.3225260E-05 16 1.0857598E-03 2.5891399E-04 17 3.1576636E-03 7.5741835E-04 18 6.8064805E-03 1.6483993E-03 19 1.0278421E-02 2.4996492E-03 20 1.0353079E-02 2.4182528E-03 21 6.7595220E-03 1.3662508E-03 22 2.1777835E-03 -7.4832193E-04 23 2.3438097E-04 -2.4501789E-03 24 7.0270415E-06 -2.6350315E-03 25 3.6223227E-07 -1.5910832E-03 26 1.2449299E-07 -4.3357096E-04 ____________________ SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1878389034E+09 0.1000000000E+01 0.1000000000E+01 2 0.4288863965E+08 0.1000000000E+01 0.1000000000E+01 3 0.1079126598E+08 0.1000000000E+01 0.1000000000E+01 4 0.2971578771E+07 0.1000000000E+01 0.1000000000E+01 5 0.8894020927E+06 0.1000000000E+01 0.1000000000E+01 6 0.2873534548E+06 0.1000000000E+01 0.1000000000E+01 7 0.9952986172E+05 0.1000000000E+01 0.1000000000E+01 8 0.3670459245E+05 0.1000000000E+01 0.1000000000E+01 9 0.1431293719E+05 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4.9192447E-04 2P+ 3P+ 4P+ -8.3231992E+01 -1.2913015E+01 -1.3960033E+00 ------------ ------------ ------------ 1 1.8293451E-06 7.8521584E-07 2.7027452E-07 2 1.4480789E-05 6.2161740E-06 2.1470069E-06 3 1.1202536E-04 4.8159408E-05 1.6589436E-05 4 7.2910174E-04 3.1382471E-04 1.0836772E-04 5 3.9823283E-03 1.7216773E-03 5.9384237E-04 6 1.7668448E-02 7.7101102E-03 2.6675115E-03 7 6.2859014E-02 2.8047291E-02 9.7229477E-03 8 1.6993002E-01 7.8882657E-02 2.7564257E-02 9 3.2307366E-01 1.5884201E-01 5.5935196E-02 10 3.7281687E-01 1.8881540E-01 6.7134886E-02 11 1.9698737E-01 -5.7339973E-03 -1.2011219E-02 12 3.4224371E-02 -3.6532744E-01 -1.6474257E-01 13 2.2099242E-03 -5.1109796E-01 -2.7081736E-01 14 8.4111060E-05 -2.1594716E-01 -4.2545264E-02 15 4.4578474E-05 -1.4529141E-02 4.7147918E-01 16 -3.6835591E-05 -1.8313484E-03 5.3983255E-01 17 5.3238297E-06 3.0632899E-04 1.5129785E-01 18 4.3851464E-06 1.8801649E-06 6.4610532E-07 19 2.3864552E-05 1.0223023E-05 3.5321208E-06 20 1.1470446E-04 4.9197499E-05 1.6936418E-05 21 4.5516084E-04 1.9541890E-04 6.7461607E-05 22 1.5314814E-03 6.6044767E-04 2.2770230E-04 23 4.2928810E-03 1.8688612E-03 6.4635789E-04 24 9.9444677E-03 4.4273711E-03 1.5342647E-03 25 1.8010846E-02 8.3446790E-03 2.9150925E-03 26 2.3502669E-02 1.1536564E-02 4.0615522E-03 27 1.8962461E-02 9.5924708E-03 3.4103357E-03 28 7.0846767E-03 -1.9800621E-04 -4.2750531E-04 29 8.7339861E-04 -9.3036390E-03 -4.1943775E-03 30 3.9927457E-05 -9.2065727E-03 -4.8772233E-03 31 1.0198565E-06 -2.7187759E-03 -5.3592265E-04 32 4.0272756E-07 -1.2527757E-04 4.0652482E-03 33 -2.1908732E-07 -1.0538232E-05 3.1012301E-03 34 2.1762656E-08 1.1356680E-06 5.5861476E-04 3D- 4D- -7.3595692E+00 -2.1236377E-01 ------------ ------------ 1 -3.1163936E-04 6.8399142E-05 2 -1.6873041E-03 3.7049395E-04 3 -9.8899911E-03 2.1800928E-03 4 -4.0826719E-02 9.0387432E-03 5 -1.2654838E-01 2.8345079E-02 6 -2.6804868E-01 5.9946095E-02 7 -3.7145062E-01 7.9532254E-02 8 -3.1501864E-01 5.2141294E-02 9 -1.1847314E-01 -8.6123210E-02 10 -1.2915253E-02 -2.7583439E-01 11 -6.9322827E-04 -3.9012831E-01 12 -3.7366543E-05 -3.6050724E-01 13 -7.2518644E-05 -1.7584471E-01 14 -8.4098286E-05 1.8462168E-05 15 -3.2952394E-04 7.2351980E-05 16 -1.2687071E-03 2.7967311E-04 17 -3.5114202E-03 7.7740067E-04 18 -7.3838216E-03 1.6539125E-03 19 -1.0763810E-02 2.4074036E-03 20 -1.0338758E-02 2.2138811E-03 21 -6.0766282E-03 1.0060303E-03 22 -1.5689402E-03 -1.1419892E-03 23 -1.1485524E-04 -2.4703954E-03 24 -3.6965740E-06 -2.2996729E-03 25 -3.7740222E-08 -1.3509640E-03 26 -1.1296003E-07 -4.0109061E-04 3D+ 4D+ -7.2643262E+00 -2.0906407E-01 ------------ ------------ 1 2.2889529E-04 -4.9927666E-05 2 1.5047194E-03 -3.2835456E-04 3 9.2600172E-03 -2.0282571E-03 4 3.9466169E-02 -8.6826451E-03 5 1.2406321E-01 -2.7611174E-02 6 2.6522314E-01 -5.8976200E-02 7 3.7086033E-01 -7.9044492E-02 8 3.1834807E-01 -5.3289994E-02 9 1.2167391E-01 8.2166829E-02 10 1.3542861E-02 2.7110078E-01 11 7.1951675E-04 3.8896223E-01 12 4.1983884E-05 3.6401160E-01 13 7.5089370E-05 1.8219172E-01 14 7.5637526E-05 -1.6494837E-05 15 3.0934040E-04 -6.7486988E-05 16 1.2177351E-03 -2.6667108E-04 17 3.4231702E-03 -7.5296766E-04 18 7.2683393E-03 -1.6173634E-03 19 1.0671111E-02 -2.3725754E-03 20 1.0334428E-02 -2.2024304E-03 21 6.1461651E-03 -1.0288228E-03 22 1.6138823E-03 1.0895236E-03 23 1.2132986E-04 2.4281213E-03 24 4.2375920E-06 2.2928617E-03 25 1.5903184E-07 1.3641281E-03 26 1.7074845E-07 4.1557998E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -6.6544032E+02 -9.4751973E+01 -1.6602266E+01 -2.4178991E+00 -1.9779829E-01 ------------ ------------ ------------ ------------ ------------ 1 -2.4389034E-06 -8.0475606E-07 -3.3528348E-07 1.2605134E-07 3.1670603E-08 2 -1.4395255E-05 -4.7522607E-06 -1.9796320E-06 7.4369899E-07 1.8677318E-07 3 -4.1294556E-05 -1.3662016E-05 -5.6939496E-06 2.1407343E-06 5.3785790E-07 4 -1.1472437E-04 -3.8025396E-05 -1.5847752E-05 5.9530587E-06 1.4949130E-06 5 -3.0784394E-04 -1.0245176E-04 -4.2736208E-05 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-8.4013509E-03 19 -4.0378761E-04 6.5692198E-03 -8.0933359E-01 5.3835180E-01 1.4953675E-01 20 2.6329757E-04 7.1820579E-04 -4.5485325E-01 5.4437233E-01 1.5744334E-01 21 -1.4661427E-04 -8.0848636E-05 -6.4816276E-04 -6.0876796E-01 -2.1101853E-01 22 7.3892012E-05 -1.0430489E-04 -1.1947388E-02 -7.4132682E-01 -3.6709101E-01 23 -3.5961461E-05 3.7475438E-05 5.1204926E-03 -8.5099578E-02 -1.4034119E-01 24 1.4676494E-05 -1.8287126E-05 -2.1699606E-03 -2.2237524E-03 5.8794057E-01 25 -3.8846556E-06 5.2760983E-06 5.8776447E-04 1.0087023E-04 6.3908357E-01 26 -4.1499349E-06 -1.3713083E-06 -5.7197783E-07 2.1577322E-07 5.4320811E-08 27 -4.0131854E-05 -1.3216588E-05 -5.5021998E-06 2.0647794E-06 5.1823050E-07 28 -1.2151770E-04 -4.0089233E-05 -1.6705620E-05 6.2855789E-06 1.5800044E-06 29 -3.0217145E-04 -9.9539611E-05 -4.1441836E-05 1.5553125E-05 3.9038231E-06 30 -6.8785257E-04 -2.2704063E-04 -9.4619973E-05 3.5605951E-05 8.9508983E-06 31 -1.4695100E-03 -4.8447304E-04 -2.0171384E-04 7.5688847E-05 1.8995559E-05 32 -2.9792233E-03 -9.8569214E-04 -4.1095588E-04 1.5469644E-04 3.8895414E-05 33 -5.7482471E-03 -1.9043478E-03 -7.9334040E-04 2.9761374E-04 7.4677533E-05 34 -1.0571986E-02 -3.5401810E-03 -1.4786009E-03 5.5699093E-04 1.4008527E-04 35 -1.8355179E-02 -6.2428301E-03 -2.6097709E-03 9.7912863E-04 2.4562879E-04 36 -2.9462495E-02 -1.0465816E-02 -4.4079349E-03 1.6639718E-03 4.1874139E-04 37 -4.1389142E-02 -1.5939083E-02 -6.7781275E-03 2.5482594E-03 6.3917350E-04 38 -4.5746797E-02 -2.1046063E-02 -9.2064535E-03 3.5043315E-03 8.8353841E-04 39 -3.1427100E-02 -1.9417798E-02 -8.8707566E-03 3.3623469E-03 8.4259207E-04 40 -8.7619574E-03 -4.4209276E-03 -2.1787290E-03 8.9124100E-04 2.3144901E-04 41 -3.9661788E-04 1.8506249E-02 1.1929232E-02 -4.9262394E-03 -1.2617545E-03 42 -4.4314436E-05 1.8774235E-02 1.7530524E-02 -7.4977093E-03 -1.9047031E-03 43 1.7335279E-05 3.6967432E-03 1.0824158E-03 -6.0638326E-04 -1.8380097E-04 44 -6.1352873E-06 9.7756619E-05 -1.2012631E-02 7.9877115E-03 2.2186275E-03 45 2.7055320E-06 7.1506813E-06 -4.5679785E-03 5.4653961E-03 1.5806991E-03 46 -1.0083813E-06 -5.0209221E-07 -4.3226746E-06 -4.0786561E-03 -1.4137240E-03 47 3.3523481E-07 -4.8066014E-07 -5.2564516E-05 -3.2598937E-03 -1.6141648E-03 48 -1.0564940E-07 1.1654114E-07 1.4490702E-05 -2.4065564E-04 -3.9687129E-04 49 2.7435111E-08 -3.6932544E-08 -3.8574065E-06 -3.9532631E-06 1.0442083E-03 50 -4.5576428E-09 7.0314923E-09 6.3885812E-07 1.1061055E-07 6.9377618E-04 2P- 3P- 4P- -8.6409441E+01 -1.3439153E+01 -1.4650357E+00 ------------ ------------ ------------ 1 8.1933898E-05 3.4965056E-05 1.2084724E-05 2 1.7291112E-04 7.3815261E-05 2.5518496E-05 3 5.5801546E-04 2.3850251E-04 8.2434434E-05 4 1.7281841E-03 7.4030688E-04 2.5614171E-04 5 6.2207743E-03 2.6793327E-03 9.2691932E-04 6 2.2226150E-02 9.6691614E-03 3.3542215E-03 7 7.1226029E-02 3.1712279E-02 1.1026989E-02 8 1.8142327E-01 8.4062437E-02 2.9462611E-02 9 3.3035705E-01 1.6212468E-01 5.7272850E-02 10 3.6501985E-01 1.8153037E-01 6.4555888E-02 11 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4.2369505E-03 33 -4.4042501E-06 -1.0083062E-05 3.0150813E-03 34 -7.3269853E-06 5.3461753E-07 4.9192449E-04 2P+ 3P+ 4P+ -8.3231991E+01 -1.2913015E+01 -1.3960032E+00 ------------ ------------ ------------ 1 1.8293410E-06 7.8521407E-07 2.7027391E-07 2 1.4480791E-05 6.2161746E-06 2.1470071E-06 3 1.1202536E-04 4.8159407E-05 1.6589436E-05 4 7.2910174E-04 3.1382471E-04 1.0836772E-04 5 3.9823283E-03 1.7216773E-03 5.9384237E-04 6 1.7668448E-02 7.7101101E-03 2.6675114E-03 7 6.2859013E-02 2.8047291E-02 9.7229477E-03 8 1.6993002E-01 7.8882657E-02 2.7564257E-02 9 3.2307366E-01 1.5884201E-01 5.5935196E-02 10 3.7281687E-01 1.8881541E-01 6.7134886E-02 11 1.9698737E-01 -5.7339952E-03 -1.2011218E-02 12 3.4224372E-02 -3.6532744E-01 -1.6474257E-01 13 2.2099239E-03 -5.1109796E-01 -2.7081736E-01 14 8.4111301E-05 -2.1594716E-01 -4.2545268E-02 15 4.4578345E-05 -1.4529142E-02 4.7147918E-01 16 -3.6835594E-05 -1.8313482E-03 5.3983255E-01 17 5.3238502E-06 3.0632885E-04 1.5129785E-01 18 4.3851326E-06 1.8801590E-06 6.4610329E-07 19 2.3864554E-05 1.0223023E-05 3.5321211E-06 20 1.1470446E-04 4.9197498E-05 1.6936418E-05 21 4.5516084E-04 1.9541890E-04 6.7461606E-05 22 1.5314814E-03 6.6044767E-04 2.2770229E-04 23 4.2928810E-03 1.8688612E-03 6.4635789E-04 24 9.9444677E-03 4.4273711E-03 1.5342647E-03 25 1.8010845E-02 8.3446789E-03 2.9150925E-03 26 2.3502669E-02 1.1536564E-02 4.0615522E-03 27 1.8962461E-02 9.5924708E-03 3.4103357E-03 28 7.0846767E-03 -1.9800613E-04 -4.2750528E-04 29 8.7339863E-04 -9.3036389E-03 -4.1943775E-03 30 3.9927452E-05 -9.2065727E-03 -4.8772233E-03 31 1.0198597E-06 -2.7187760E-03 -5.3592270E-04 32 4.0272612E-07 -1.2527757E-04 4.0652482E-03 33 -2.1908711E-07 -1.0538231E-05 3.1012301E-03 34 2.1762599E-08 1.1356676E-06 5.5861478E-04 3D- 4D- -7.3595691E+00 -2.1236376E-01 ------------ ------------ 1 -3.1163935E-04 6.8399140E-05 2 -1.6873041E-03 3.7049394E-04 3 -9.8899910E-03 2.1800928E-03 4 -4.0826719E-02 9.0387429E-03 5 -1.2654838E-01 2.8345078E-02 6 -2.6804868E-01 5.9946093E-02 7 -3.7145062E-01 7.9532252E-02 8 -3.1501865E-01 5.2141294E-02 9 -1.1847315E-01 -8.6123207E-02 10 -1.2915254E-02 -2.7583439E-01 11 -6.9322832E-04 -3.9012831E-01 12 -3.7366503E-05 -3.6050724E-01 13 -7.2518689E-05 -1.7584472E-01 14 -8.4098284E-05 1.8462167E-05 15 -3.2952394E-04 7.2351978E-05 16 -1.2687071E-03 2.7967310E-04 17 -3.5114202E-03 7.7740065E-04 18 -7.3838215E-03 1.6539125E-03 19 -1.0763810E-02 2.4074035E-03 20 -1.0338758E-02 2.2138811E-03 21 -6.0766282E-03 1.0060303E-03 22 -1.5689403E-03 -1.1419892E-03 23 -1.1485524E-04 -2.4703953E-03 24 -3.6965744E-06 -2.2996729E-03 25 -3.7740068E-08 -1.3509640E-03 26 -1.1296013E-07 -4.0109065E-04 3D+ 4D+ -7.2643261E+00 -2.0906406E-01 ------------ ------------ 1 2.2889529E-04 -4.9927665E-05 2 1.5047194E-03 -3.2835455E-04 3 9.2600171E-03 -2.0282570E-03 4 3.9466169E-02 -8.6826448E-03 5 1.2406321E-01 -2.7611174E-02 6 2.6522314E-01 -5.8976199E-02 7 3.7086033E-01 -7.9044491E-02 8 3.1834807E-01 -5.3289993E-02 9 1.2167391E-01 8.2166824E-02 10 1.3542862E-02 2.7110078E-01 11 7.1951673E-04 3.8896222E-01 12 4.1983929E-05 3.6401161E-01 13 7.5089332E-05 1.8219174E-01 14 7.5637525E-05 -1.6494837E-05 15 3.0934039E-04 -6.7486986E-05 16 1.2177351E-03 -2.6667107E-04 17 3.4231702E-03 -7.5296763E-04 18 7.2683393E-03 -1.6173633E-03 19 1.0671111E-02 -2.3725753E-03 20 1.0334428E-02 -2.2024304E-03 21 6.1461651E-03 -1.0288228E-03 22 1.6138823E-03 1.0895235E-03 23 1.2132986E-04 2.4281212E-03 24 4.2375919E-06 2.2928617E-03 25 1.5903202E-07 1.3641281E-03 26 1.7074837E-07 4.1558001E-04 ******************* NIOBIUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1791049535E+09 0.1000000000E+01 0.1000000000E+01 2 0.4009732627E+08 0.1000000000E+01 0.1000000000E+01 3 0.9946892503E+07 0.1000000000E+01 0.1000000000E+01 4 0.2714219013E+07 0.1000000000E+01 0.1000000000E+01 5 0.8087402669E+06 0.1000000000E+01 0.1000000000E+01 6 0.2612168699E+06 0.1000000000E+01 0.1000000000E+01 7 0.9079096067E+05 0.1000000000E+01 0.1000000000E+01 8 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0.1000000000E+01 0.1000000000E+01 2 0.1143390333E+06 0.1000000000E+01 0.1000000000E+01 3 0.2908809446E+05 0.1000000000E+01 0.1000000000E+01 4 0.8527869006E+04 0.1000000000E+01 0.1000000000E+01 5 0.2834285923E+04 0.1000000000E+01 0.1000000000E+01 6 0.1050504910E+04 0.1000000000E+01 0.1000000000E+01 7 0.4271468401E+03 0.1000000000E+01 0.1000000000E+01 8 0.1874365972E+03 0.1000000000E+01 0.1000000000E+01 9 0.8731785610E+02 0.1000000000E+01 0.1000000000E+01 10 0.4248118405E+02 0.1000000000E+01 0.1000000000E+01 11 0.2123285704E+02 0.1000000000E+01 0.1000000000E+01 12 0.1072536125E+02 0.1000000000E+01 0.1000000000E+01 13 0.5386175381E+01 0.1000000000E+01 0.1000000000E+01 14 0.2645376658E+01 0.1000000000E+01 0.1000000000E+01 15 0.1249989619E+01 0.1000000000E+01 0.1000000000E+01 16 0.5589983873E+00 0.1000000000E+01 0.1000000000E+01 17 0.2327412490E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.5265078570E+06 0.1000000000E+01 0.1000000000E+01 2 0.1143390333E+06 0.1000000000E+01 0.1000000000E+01 3 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0.1000000000E+01 5 0.4313523108E+02 0.1000000000E+01 0.1000000000E+01 6 0.2063754553E+02 0.1000000000E+01 0.1000000000E+01 7 0.1017303107E+02 0.1000000000E+01 0.1000000000E+01 8 0.5061440408E+01 0.1000000000E+01 0.1000000000E+01 9 0.2489971264E+01 0.1000000000E+01 0.1000000000E+01 10 0.1186522591E+01 0.1000000000E+01 0.1000000000E+01 11 0.5365178517E+00 0.1000000000E+01 0.1000000000E+01 12 0.2255193704E+00 0.1000000000E+01 0.1000000000E+01 13 0.8632568868E-01 0.1000000000E+01 0.1000000000E+01 D+ 1 0.1674527139E+04 0.1000000000E+01 0.1000000000E+01 2 0.5787655273E+03 0.1000000000E+01 0.1000000000E+01 3 0.2237790645E+03 0.1000000000E+01 0.1000000000E+01 4 0.9482167120E+02 0.1000000000E+01 0.1000000000E+01 5 0.4313523108E+02 0.1000000000E+01 0.1000000000E+01 6 0.2063754553E+02 0.1000000000E+01 0.1000000000E+01 7 0.1017303107E+02 0.1000000000E+01 0.1000000000E+01 8 0.5061440408E+01 0.1000000000E+01 0.1000000000E+01 9 0.2489971264E+01 0.1000000000E+01 0.1000000000E+01 10 0.1186522591E+01 0.1000000000E+01 0.1000000000E+01 11 0.5365178517E+00 0.1000000000E+01 0.1000000000E+01 12 0.2255193704E+00 0.1000000000E+01 0.1000000000E+01 13 0.8632568868E-01 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 5 3 3 1 1 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+ 5S+ -7.0202976E+02 -1.0098871E+02 -1.8119430E+01 -2.7816700E+00 -2.2654905E-01 ------------ ------------ ------------ ------------ ------------ 1 2.4646769E-06 8.1654995E-07 3.4277658E-07 -1.3262227E-07 3.5853173E-08 2 1.7377633E-05 5.7611403E-06 2.4180172E-06 -9.3497372E-07 2.5263103E-07 3 4.8495725E-05 1.6113124E-05 6.7665513E-06 -2.6180590E-06 7.0774326E-07 4 1.3656386E-04 4.5471239E-05 1.9094613E-05 -7.3828654E-06 1.9946201E-06 5 3.6554047E-04 1.2221864E-04 5.1373250E-05 -1.9884708E-05 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4.8110718E-06 1.0956381E-05 -3.2098164E-03 34 8.4365985E-06 -7.1082410E-07 -4.8208660E-04 2P+ 3P+ 4P+ -8.8809312E+01 -1.4214712E+01 -1.6668247E+00 ------------ ------------ ------------ 1 1.5993158E-06 -6.9317517E-07 -2.4771705E-07 2 1.2835893E-05 -5.5674394E-06 -1.9951209E-06 3 1.0041737E-04 -4.3597030E-05 -1.5590683E-05 4 6.6306297E-04 -2.8833361E-04 -1.0331755E-04 5 3.6732405E-03 -1.6036109E-03 -5.7416677E-04 6 1.6528443E-02 -7.2829632E-03 -2.6147737E-03 7 5.9565854E-02 -2.6811688E-02 -9.6480725E-03 8 1.6340966E-01 -7.6499194E-02 -2.7741300E-02 9 3.1619699E-01 -1.5664125E-01 -5.7278035E-02 10 3.7507287E-01 -1.9270036E-01 -7.1192522E-02 11 2.0768550E-01 -9.4784532E-03 6.2089642E-03 12 3.8750785E-02 3.5177997E-01 1.6618706E-01 13 2.4763396E-03 5.1752106E-01 2.8538922E-01 14 9.2853235E-05 2.2846578E-01 5.5223899E-02 15 3.8754040E-05 1.6683468E-02 -4.8511957E-01 16 -3.9436565E-05 1.8701968E-03 -5.4327481E-01 17 6.2241134E-06 -3.5383401E-04 -1.4046844E-01 18 3.9274986E-06 -1.6999362E-06 -6.0661752E-07 19 2.1991327E-05 -9.5193780E-06 -3.4121314E-06 20 1.0777264E-04 -4.6675869E-05 -1.6681343E-05 21 4.3501873E-04 -1.8867014E-04 -6.7583310E-05 22 1.4840377E-03 -6.4615734E-04 -2.3124580E-04 23 4.2126674E-03 -1.8515539E-03 -6.6450209E-04 24 9.8696629E-03 -4.4320697E-03 -1.5942498E-03 25 1.8119508E-02 -8.4651048E-03 -3.0687900E-03 26 2.4053329E-02 -1.1895125E-02 -4.3484656E-03 27 1.9954544E-02 -1.0238997E-02 -3.7822993E-03 28 7.8211768E-03 -3.6499226E-04 2.2913329E-04 29 1.0372711E-03 9.3949677E-03 4.4371252E-03 30 4.7050451E-05 9.8000697E-03 5.4029621E-03 31 1.1811779E-06 3.0327134E-03 7.3335808E-04 32 3.7779136E-07 1.5218469E-04 -4.4249523E-03 33 -2.5050767E-07 1.1429349E-05 -3.3140136E-03 34 2.7306409E-08 -1.3983883E-06 -5.5290785E-04 3D- 4D- -8.4033797E+00 -3.4969335E-01 ------------ ------------ 1 2.2856606E-04 5.9329872E-05 2 1.3805531E-03 3.5943600E-04 3 8.4293291E-03 2.1985761E-03 4 3.6002787E-02 9.4478088E-03 5 1.1208507E-01 2.9710990E-02 6 2.4215122E-01 6.4489881E-02 7 3.4898239E-01 8.9225967E-02 8 3.2912166E-01 7.2660818E-02 9 1.5630881E-01 -5.5458862E-02 10 2.5674805E-02 -2.6728803E-01 11 1.2324776E-03 -4.1361750E-01 12 1.5401526E-04 -3.6283609E-01 13 6.1760070E-05 -1.4446554E-01 14 6.6414083E-05 1.7236474E-05 15 2.9207115E-04 7.6047135E-05 16 1.1665838E-03 3.0426994E-04 17 3.3292983E-03 8.7367870E-04 18 7.0536871E-03 1.8697870E-03 19 1.0584593E-02 2.8191414E-03 20 1.0727080E-02 2.7429512E-03 21 7.1412355E-03 1.5769284E-03 22 2.3780274E-03 -8.4460980E-04 23 2.6877903E-04 -2.8102672E-03 24 8.1288846E-06 -2.9245113E-03 25 5.3352119E-07 -1.6633072E-03 26 8.6161040E-08 -4.0972872E-04 3D+ 4D+ -8.2936077E+00 -3.4401942E-01 ------------ ------------ 1 -1.5829267E-04 -4.0897413E-05 2 -1.2041933E-03 -3.1223539E-04 3 -7.8259224E-03 -2.0322053E-03 4 -3.4653465E-02 -9.0546307E-03 5 -1.0963305E-01 -2.8932920E-02 6 -2.3921470E-01 -6.3466050E-02 7 -3.4784404E-01 -8.8696909E-02 8 -3.3186190E-01 -7.3715385E-02 9 -1.6000732E-01 5.1595962E-02 10 -2.6819278E-02 2.6217887E-01 11 -1.2870062E-03 4.1236079E-01 12 -1.6741568E-04 3.6710951E-01 13 -6.3234893E-05 1.4996679E-01 14 -5.8810140E-05 -1.5189338E-05 15 -2.7196704E-04 -7.0501177E-05 16 -1.1147087E-03 -2.8939171E-04 17 -3.2368589E-03 -8.4558620E-04 18 -6.9316670E-03 -1.8289701E-03 19 -1.0480136E-02 -2.7800697E-03 20 -1.0706584E-02 -2.7297433E-03 21 -7.2074932E-03 -1.6008826E-03 22 -2.4377352E-03 7.8567820E-04 23 -2.8206888E-04 2.7567268E-03 24 -9.0993663E-06 2.9157347E-03 25 -7.6833880E-07 1.6829545E-03 26 -1.7909836E-07 4.2535514E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -7.0202983E+02 -1.0098872E+02 -1.8119431E+01 -2.7816702E+00 -2.2654907E-01 ------------ ------------ ------------ ------------ ------------ 1 2.9217762E-06 9.6799571E-07 -4.0634420E-07 -1.5721009E-07 4.2498718E-08 2 1.6956928E-05 5.6217527E-06 -2.3595112E-06 -9.1234421E-07 2.4651490E-07 3 4.8888985E-05 1.6243446E-05 -6.8212537E-06 -2.6392175E-06 7.1346196E-07 4 1.3619269E-04 4.5348243E-05 -1.9042986E-05 -7.3628963E-06 1.9892232E-06 5 3.6592772E-04 1.2234701E-04 -5.1427138E-05 -1.9905552E-05 5.3822837E-06 6 9.8970350E-04 3.3201133E-04 -1.3953967E-04 -5.3943423E-05 1.4570039E-05 7 2.6736680E-03 9.0216185E-04 -3.7975167E-04 -1.4708419E-04 3.9785837E-05 8 7.1535597E-03 2.4255739E-03 -1.0206799E-03 -3.9447231E-04 1.0650471E-04 9 1.8630478E-02 6.3942465E-03 -2.6985103E-03 -1.0462290E-03 2.8315681E-04 10 4.6179823E-02 1.6146188E-02 -6.8210720E-03 -2.6363967E-03 7.1148655E-04 11 1.0553358E-01 3.8627901E-02 -1.6454215E-02 -6.3948377E-03 1.7322996E-03 12 2.0933799E-01 8.3517880E-02 -3.5926969E-02 -1.3916747E-02 3.7541421E-03 13 3.2255143E-01 1.5459683E-01 -6.8553188E-02 -2.6882598E-02 7.3008753E-03 14 3.0570389E-01 1.9635378E-01 -9.0819526E-02 -3.5478046E-02 9.5507595E-03 15 1.1781235E-01 4.8466922E-02 -2.3945360E-02 -1.0259668E-02 2.9372842E-03 16 7.7659944E-03 -4.0875831E-01 2.6960073E-01 1.1497395E-01 -3.1810010E-02 17 1.1440281E-03 -5.7994701E-01 5.4817832E-01 2.4247471E-01 -6.6236688E-02 18 -6.2033664E-04 -1.7204181E-01 6.0738772E-02 3.4189392E-02 -1.1320285E-02 19 2.9775261E-04 -7.1419520E-03 -8.0069843E-01 -5.5119450E-01 1.6664740E-01 20 -1.9902029E-04 -8.8142883E-04 -4.7130535E-01 -5.7690066E-01 1.8039498E-01 21 1.0959782E-04 2.0423501E-04 -4.4159577E-03 6.2651393E-01 -2.3537197E-01 22 -5.3562956E-05 4.0914605E-05 -1.1585323E-02 7.5337207E-01 -4.3294706E-01 23 2.5841113E-05 -4.5707249E-06 4.8963346E-03 7.4530035E-02 -7.9213487E-02 24 -1.0401148E-05 4.5803134E-06 -2.0609458E-03 2.4473010E-03 6.7283312E-01 25 2.7373078E-06 -1.3457861E-06 5.4807495E-04 -8.6342083E-04 5.4465202E-01 26 5.0135132E-06 1.6621665E-06 -6.9856517E-07 -2.7095165E-07 7.3398561E-08 27 4.6503224E-05 1.5381185E-05 -6.4513597E-06 -2.4923640E-06 6.7297832E-07 28 1.4041191E-04 4.6502595E-05 -1.9525338E-05 -7.5589829E-06 2.0445197E-06 29 3.4915942E-04 1.1551567E-04 -4.8453533E-05 -1.8720053E-05 5.0549000E-06 30 7.9292883E-04 2.6275525E-04 -1.1033896E-04 -4.2722080E-05 1.1556457E-05 31 1.6856247E-03 5.5821001E-04 -2.3415445E-04 -9.0449651E-05 2.4419767E-05 32 3.3899483E-03 1.1263315E-03 -4.7320952E-04 -1.8328308E-04 4.9590137E-05 33 6.4705353E-03 2.1547556E-03 -9.0442639E-04 -3.4929039E-04 9.4276861E-05 34 1.1732110E-02 3.9510085E-03 -1.6633702E-03 -6.4474927E-04 1.7451786E-04 35 2.0007262E-02 6.8602395E-03 -2.8905305E-03 -1.1165269E-03 3.0125780E-04 36 3.1373719E-02 1.1269147E-02 -4.7887567E-03 -1.8605117E-03 5.0400655E-04 37 4.2790267E-02 1.6767660E-02 -7.1964103E-03 -2.7863056E-03 7.5153599E-04 38 4.5536119E-02 2.1466477E-02 -9.5003143E-03 -3.7243244E-03 1.0114474E-03 39 2.9935835E-02 1.8953538E-02 -8.7548332E-03 -3.4192384E-03 9.2043154E-04 40 8.0265695E-03 3.3248053E-03 -1.6507301E-03 -7.0635058E-04 2.0195073E-04 41 3.6819319E-04 -1.9033088E-02 1.2521366E-02 5.3378131E-03 -1.4767824E-03 42 3.7690641E-05 -1.8844273E-02 1.7777316E-02 7.8616706E-03 -2.1475057E-03 43 -1.4210134E-05 -3.8772213E-03 1.3751211E-03 7.7428929E-04 -2.5611074E-04 44 4.7087051E-06 -1.1082186E-04 -1.2389215E-02 -8.5253275E-03 2.5774010E-03 45 -2.1380116E-06 -9.2179162E-06 -4.9652771E-03 -6.0758076E-03 1.8998801E-03 46 7.9055464E-07 1.4006931E-06 -3.1165906E-05 4.4254132E-03 -1.6624631E-03 47 -2.5498932E-07 2.1370915E-07 -5.3945687E-05 3.5054492E-03 -2.0144014E-03 48 7.9412774E-08 -2.4862461E-08 1.4696365E-05 2.2346719E-04 -2.3751075E-04 49 -2.0156355E-08 1.3313050E-08 -3.8870518E-06 4.6127887E-06 1.2671942E-03 50 3.2620737E-09 -2.9148278E-09 6.3111090E-07 -9.9311931E-07 6.2580507E-04 2P- 3P- 4P- -9.2352448E+01 -1.4810916E+01 -1.7500337E+00 ------------ ------------ ------------ 1 -7.9849300E-05 -3.4401571E-05 -1.2333808E-05 2 -1.7222961E-04 -7.4228692E-05 -2.6617870E-05 3 -5.4893814E-04 -2.3684273E-04 -8.4920868E-05 4 -1.6779875E-03 -7.2566181E-04 -2.6041650E-04 5 -5.9531226E-03 -2.5878404E-03 -9.2879522E-04 6 -2.1196515E-02 -9.3063114E-03 -3.3484415E-03 7 -6.8191285E-02 -3.0615313E-02 -1.1044591E-02 8 -1.7546845E-01 -8.1959139E-02 -2.9795738E-02 9 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-5.4495111E-07 9.6296460E-03 5.3475266E-03 31 1.9453814E-05 2.7677753E-03 3.7782999E-04 32 1.6583446E-05 1.2138829E-04 -4.6179148E-03 33 4.8110706E-06 1.0956375E-05 -3.2098164E-03 34 8.4365987E-06 -7.1082476E-07 -4.8208662E-04 2P+ 3P+ 4P+ -8.8809312E+01 -1.4214712E+01 -1.6668247E+00 ------------ ------------ ------------ 1 1.5993107E-06 -6.9317295E-07 -2.4771626E-07 2 1.2835894E-05 -5.5674401E-06 -1.9951211E-06 3 1.0041736E-04 -4.3597029E-05 -1.5590682E-05 4 6.6306297E-04 -2.8833361E-04 -1.0331755E-04 5 3.6732404E-03 -1.6036109E-03 -5.7416676E-04 6 1.6528443E-02 -7.2829631E-03 -2.6147736E-03 7 5.9565854E-02 -2.6811688E-02 -9.6480724E-03 8 1.6340966E-01 -7.6499193E-02 -2.7741300E-02 9 3.1619699E-01 -1.5664125E-01 -5.7278035E-02 10 3.7507287E-01 -1.9270036E-01 -7.1192522E-02 11 2.0768551E-01 -9.4784556E-03 6.2089632E-03 12 3.8750786E-02 3.5177996E-01 1.6618706E-01 13 2.4763397E-03 5.1752106E-01 2.8538922E-01 14 9.2853205E-05 2.2846578E-01 5.5223902E-02 15 3.8754083E-05 1.6683468E-02 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1.3805530E-03 3.5943599E-04 3 8.4293290E-03 2.1985760E-03 4 3.6002787E-02 9.4478085E-03 5 1.1208507E-01 2.9710989E-02 6 2.4215122E-01 6.4489880E-02 7 3.4898239E-01 8.9225965E-02 8 3.2912166E-01 7.2660818E-02 9 1.5630882E-01 -5.5458858E-02 10 2.5674806E-02 -2.6728802E-01 11 1.2324776E-03 -4.1361749E-01 12 1.5401525E-04 -3.6283609E-01 13 6.1760110E-05 -1.4446555E-01 14 6.6414082E-05 1.7236473E-05 15 2.9207115E-04 7.6047133E-05 16 1.1665838E-03 3.0426994E-04 17 3.3292982E-03 8.7367868E-04 18 7.0536870E-03 1.8697869E-03 19 1.0584593E-02 2.8191414E-03 20 1.0727080E-02 2.7429512E-03 21 7.1412355E-03 1.5769284E-03 22 2.3780274E-03 -8.4460974E-04 23 2.6877904E-04 -2.8102672E-03 24 8.1288847E-06 -2.9245113E-03 25 5.3352114E-07 -1.6633072E-03 26 8.6161159E-08 -4.0972876E-04 3D+ 4D+ -8.2936076E+00 -3.4401940E-01 ------------ ------------ 1 -1.5829267E-04 -4.0897412E-05 2 -1.2041933E-03 -3.1223538E-04 3 -7.8259224E-03 -2.0322053E-03 4 -3.4653464E-02 -9.0546305E-03 5 -1.0963305E-01 -2.8932920E-02 6 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-1.0648289E-06 5.7528217E-04 3D- 4D- -8.2925319E+00 -2.5725716E-01 ------------ ------------ 1 -3.0268147E-04 -7.3521533E-05 2 -1.6482945E-03 -4.0071039E-04 3 -9.6415184E-03 -2.3528303E-03 4 -3.9769721E-02 -9.7516448E-03 5 -1.2295155E-01 -3.0510374E-02 6 -2.6173516E-01 -6.4946552E-02 7 -3.6768384E-01 -8.7390143E-02 8 -3.1905738E-01 -5.9191396E-02 9 -1.2394642E-01 9.1448290E-02 10 -1.4157062E-02 2.9551230E-01 11 -8.1598459E-04 4.0066274E-01 12 -8.9482351E-05 3.4269767E-01 13 -8.8432668E-05 1.4753274E-01 14 -8.3890770E-05 -2.0381219E-05 15 -3.3352955E-04 -8.1079356E-05 16 -1.2843982E-03 -3.1343983E-04 17 -3.5617368E-03 -8.7334594E-04 18 -7.4958453E-03 -1.8601357E-03 19 -1.1031801E-02 -2.7376616E-03 20 -1.0799302E-02 -2.5670434E-03 21 -6.5328385E-03 -1.2122924E-03 22 -1.7527458E-03 1.2949014E-03 23 -1.3519528E-04 2.8425959E-03 24 -4.7155048E-06 2.5496137E-03 25 -2.3509962E-07 1.3919663E-03 26 -1.5348939E-07 3.6567670E-04 3D+ 4D+ -8.1826920E+00 -2.5203246E-01 ------------ ------------ 1 2.1736934E-04 -5.2446149E-05 2 1.4571091E-03 -3.5187229E-04 3 8.9856930E-03 -2.1778115E-03 4 3.8353295E-02 -9.3407724E-03 5 1.2037615E-01 -2.9666481E-02 6 2.5878900E-01 -6.3820737E-02 7 3.6696826E-01 -8.6790861E-02 8 3.2243594E-01 -6.0454708E-02 9 1.2734365E-01 8.6975697E-02 10 1.4859610E-02 2.9023818E-01 11 8.4470431E-04 3.9961485E-01 12 9.6956815E-05 3.4714667E-01 13 9.2277805E-05 1.5440299E-01 14 7.4902449E-05 -1.8067577E-05 15 3.1180256E-04 -7.5275970E-05 16 1.2295684E-03 -2.9793414E-04 17 3.4665845E-03 -8.4409610E-04 18 7.3714193E-03 -1.8163405E-03 19 1.0930850E-02 -2.6952990E-03 20 1.0792121E-02 -2.5521181E-03 21 6.6082096E-03 -1.2389746E-03 22 1.8038266E-03 1.2315663E-03 23 1.4298711E-04 2.7920304E-03 24 5.3717786E-06 2.5430297E-03 25 3.9551395E-07 1.4100789E-03 26 2.2820650E-07 3.8272155E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -7.0192374E+02 -1.0087534E+02 -1.8005620E+01 -2.6730664E+00 -2.0529122E-01 ------------ ------------ ------------ ------------ ------------ 1 -2.4751014E-06 8.1998443E-07 -3.4415092E-07 -1.3231074E-07 -3.2892198E-08 2 -1.5930762E-05 5.2810686E-06 -2.2161907E-06 -8.5131617E-07 -2.1155126E-07 3 -4.6416262E-05 1.5420013E-05 -6.4741645E-06 -2.4890441E-06 -6.1875985E-07 4 -1.3017673E-04 4.3338074E-05 -1.8196217E-05 -6.9890568E-06 -1.7366285E-06 5 -3.5132753E-04 1.1744387E-04 -4.9354812E-05 -1.8983851E-05 -4.7200829E-06 6 -9.5481240E-04 3.2024623E-04 -1.3457889E-04 -5.1676028E-05 -1.2837872E-05 7 -2.5939512E-03 8.7509024E-04 -3.6825723E-04 -1.4176066E-04 -3.5257741E-05 8 -6.9861803E-03 2.3682594E-03 -9.9648017E-04 -3.8246239E-04 -9.4987277E-05 9 -1.8331562E-02 6.2894290E-03 -2.6533662E-03 -1.0226388E-03 -2.5445293E-04 10 -4.5799437E-02 1.6005135E-02 -6.7610804E-03 -2.5945726E-03 -6.4417318E-04 11 -1.0550487E-01 3.8592583E-02 -1.6431663E-02 -6.3498920E-03 -1.5811380E-03 12 -2.1069006E-01 8.4033785E-02 -3.6151253E-02 -1.3898715E-02 -3.4499761E-03 13 -3.2565665E-01 1.5628920E-01 -6.9281312E-02 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-1.7744288E-04 7.6470804E-05 -2.7204521E-05 3 -5.6733594E-04 2.4478782E-04 -8.7068409E-05 4 -1.7459479E-03 7.5503896E-04 -2.6882859E-04 5 -6.2205724E-03 2.7048083E-03 -9.6299852E-04 6 -2.2124054E-02 9.7169221E-03 -3.4690288E-03 7 -7.0707955E-02 3.1780908E-02 -1.1374306E-02 8 -1.7984468E-01 8.4121470E-02 -3.0351268E-02 9 -3.2749131E-01 1.6223144E-01 -5.9012418E-02 10 -3.6421313E-01 1.8311840E-01 -6.7086930E-02 11 -1.8612447E-01 -2.0427873E-02 1.9107126E-02 12 -3.1259503E-02 -3.7710930E-01 1.7771607E-01 13 -1.9759481E-03 -5.0524373E-01 2.7977649E-01 14 -7.4241959E-05 -2.0225060E-01 1.8271122E-02 15 -3.0322605E-05 -1.2282557E-02 -5.0367848E-01 16 3.4762862E-05 -1.7401457E-03 -5.1916456E-01 17 -3.2671696E-06 2.6575532E-04 -1.2928223E-01 18 -1.7292686E-05 7.4621411E-06 -2.6527789E-06 19 -5.7417347E-05 2.4779147E-05 -8.8242747E-06 20 -1.9998155E-04 8.6486413E-05 -3.0754403E-05 21 -6.4886007E-04 2.8098903E-04 -1.0010485E-04 22 -1.9317209E-03 8.4072684E-04 -2.9931391E-04 23 -5.0263740E-03 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30 -4.3732233E-05 9.6896587E-03 -5.3232553E-03 31 -1.3845096E-06 2.9297081E-03 -5.9661552E-04 32 -2.2792979E-07 1.4142130E-04 4.3756028E-03 33 2.1553703E-07 1.1411175E-05 3.2410306E-03 34 -1.2611636E-08 -1.0648286E-06 5.7528290E-04 3D- 4D- -8.2925320E+00 -2.5725758E-01 ------------ ------------ 1 -3.0268147E-04 -7.3521577E-05 2 -1.6482945E-03 -4.0071063E-04 3 -9.6415185E-03 -2.3528317E-03 4 -3.9769722E-02 -9.7516507E-03 5 -1.2295155E-01 -3.0510392E-02 6 -2.6173516E-01 -6.4946591E-02 7 -3.6768384E-01 -8.7390194E-02 8 -3.1905739E-01 -5.9191432E-02 9 -1.2394640E-01 9.1448379E-02 10 -1.4157055E-02 2.9551250E-01 11 -8.1598966E-04 4.0066292E-01 12 -8.9482862E-05 3.4269773E-01 13 -8.8432490E-05 1.4753192E-01 14 -8.3890770E-05 -2.0381231E-05 15 -3.3352956E-04 -8.1079404E-05 16 -1.2843982E-03 -3.1344001E-04 17 -3.5617368E-03 -8.7334647E-04 18 -7.4958454E-03 -1.8601368E-03 19 -1.1031801E-02 -2.7376633E-03 20 -1.0799302E-02 -2.5670449E-03 21 -6.5328387E-03 -1.2122932E-03 22 -1.7527455E-03 1.2949027E-03 23 -1.3519521E-04 2.8425978E-03 24 -4.7155371E-06 2.5496149E-03 25 -2.3510171E-07 1.3919665E-03 26 -1.5348896E-07 3.6567467E-04 3D+ 4D+ -8.1826921E+00 -2.5203286E-01 ------------ ------------ 1 2.1736934E-04 -5.2446177E-05 2 1.4571091E-03 -3.5187248E-04 3 8.9856930E-03 -2.1778126E-03 4 3.8353295E-02 -9.3407775E-03 5 1.2037615E-01 -2.9666497E-02 6 2.5878900E-01 -6.3820771E-02 7 3.6696826E-01 -8.6790907E-02 8 3.2243595E-01 -6.0454741E-02 9 1.2734363E-01 8.6975776E-02 10 1.4859602E-02 2.9023836E-01 11 8.4470919E-04 3.9961499E-01 12 9.6957298E-05 3.4714677E-01 13 9.2277525E-05 1.5440224E-01 14 7.4902449E-05 -1.8067586E-05 15 3.1180256E-04 -7.5276010E-05 16 1.2295684E-03 -2.9793430E-04 17 3.4665845E-03 -8.4409655E-04 18 7.3714193E-03 -1.8163415E-03 19 1.0930850E-02 -2.6953004E-03 20 1.0792121E-02 -2.5521194E-03 21 6.6082098E-03 -1.2389753E-03 22 1.8038263E-03 1.2315675E-03 23 1.4298704E-04 2.7920320E-03 24 5.3718096E-06 2.5430306E-03 25 3.9551592E-07 1.4100793E-03 26 2.2820584E-07 3.8271968E-04 ******************** MOLYBDENUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1883356285E+09 0.1000000000E+01 0.1000000000E+01 2 0.4188374968E+08 0.1000000000E+01 0.1000000000E+01 3 0.1033461372E+08 0.1000000000E+01 0.1000000000E+01 4 0.2808406536E+07 0.1000000000E+01 0.1000000000E+01 5 0.8343036535E+06 0.1000000000E+01 0.1000000000E+01 6 0.2689479074E+06 0.1000000000E+01 0.1000000000E+01 7 0.9338421177E+05 0.1000000000E+01 0.1000000000E+01 8 0.3466741180E+05 0.1000000000E+01 0.1000000000E+01 9 0.1365819992E+05 0.1000000000E+01 0.1000000000E+01 10 0.5668537259E+04 0.1000000000E+01 0.1000000000E+01 11 0.2460001944E+04 0.1000000000E+01 0.1000000000E+01 12 0.1108072583E+04 0.1000000000E+01 0.1000000000E+01 13 0.5142220474E+03 0.1000000000E+01 0.1000000000E+01 14 0.2440418517E+03 0.1000000000E+01 0.1000000000E+01 15 0.1175683640E+03 0.1000000000E+01 0.1000000000E+01 16 0.5707035754E+02 0.1000000000E+01 0.1000000000E+01 17 0.2770805728E+02 0.1000000000E+01 0.1000000000E+01 18 0.1335544415E+02 0.1000000000E+01 0.1000000000E+01 19 0.6343789730E+01 0.1000000000E+01 0.1000000000E+01 20 0.2947533970E+01 0.1000000000E+01 0.1000000000E+01 21 0.1329749587E+01 0.1000000000E+01 0.1000000000E+01 22 0.5781803464E+00 0.1000000000E+01 0.1000000000E+01 23 0.2405030629E+00 0.1000000000E+01 0.1000000000E+01 24 0.9499989696E-01 0.1000000000E+01 0.1000000000E+01 25 0.3537140435E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.5588851874E+06 0.1000000000E+01 0.1000000000E+01 2 0.1210943119E+06 0.1000000000E+01 0.1000000000E+01 3 0.3074339110E+05 0.1000000000E+01 0.1000000000E+01 4 0.8997731984E+04 0.1000000000E+01 0.1000000000E+01 5 0.2986716265E+04 0.1000000000E+01 0.1000000000E+01 6 0.1106269369E+04 0.1000000000E+01 0.1000000000E+01 7 0.4498421952E+03 0.1000000000E+01 0.1000000000E+01 8 0.1975687482E+03 0.1000000000E+01 0.1000000000E+01 9 0.9220647890E+02 0.1000000000E+01 0.1000000000E+01 10 0.4499001454E+02 0.1000000000E+01 0.1000000000E+01 11 0.2257920831E+02 0.1000000000E+01 0.1000000000E+01 12 0.1146741535E+02 0.1000000000E+01 0.1000000000E+01 13 0.5798464551E+01 0.1000000000E+01 0.1000000000E+01 14 0.2871953975E+01 0.1000000000E+01 0.1000000000E+01 15 0.1370835446E+01 0.1000000000E+01 0.1000000000E+01 16 0.6203873464E+00 0.1000000000E+01 0.1000000000E+01 17 0.2619007049E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.5588851874E+06 0.1000000000E+01 0.1000000000E+01 2 0.1210943119E+06 0.1000000000E+01 0.1000000000E+01 3 0.3074339110E+05 0.1000000000E+01 0.1000000000E+01 4 0.8997731984E+04 0.1000000000E+01 0.1000000000E+01 5 0.2986716265E+04 0.1000000000E+01 0.1000000000E+01 6 0.1106269369E+04 0.1000000000E+01 0.1000000000E+01 7 0.4498421952E+03 0.1000000000E+01 0.1000000000E+01 8 0.1975687482E+03 0.1000000000E+01 0.1000000000E+01 9 0.9220647890E+02 0.1000000000E+01 0.1000000000E+01 10 0.4499001454E+02 0.1000000000E+01 0.1000000000E+01 11 0.2257920831E+02 0.1000000000E+01 0.1000000000E+01 12 0.1146741535E+02 0.1000000000E+01 0.1000000000E+01 13 0.5798464551E+01 0.1000000000E+01 0.1000000000E+01 14 0.2871953975E+01 0.1000000000E+01 0.1000000000E+01 15 0.1370835446E+01 0.1000000000E+01 0.1000000000E+01 16 0.6203873464E+00 0.1000000000E+01 0.1000000000E+01 17 0.2619007049E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.1753542601E+04 0.1000000000E+01 0.1000000000E+01 2 0.6035070644E+03 0.1000000000E+01 0.1000000000E+01 3 0.2329416325E+03 0.1000000000E+01 0.1000000000E+01 4 0.9875412327E+02 0.1000000000E+01 0.1000000000E+01 5 0.4503512508E+02 0.1000000000E+01 0.1000000000E+01 6 0.2163615919E+02 0.1000000000E+01 0.1000000000E+01 7 0.1072472756E+02 0.1000000000E+01 0.1000000000E+01 8 0.5371731798E+01 0.1000000000E+01 0.1000000000E+01 9 0.2662618664E+01 0.1000000000E+01 0.1000000000E+01 10 0.1279130540E+01 0.1000000000E+01 0.1000000000E+01 11 0.5832794228E+00 0.1000000000E+01 0.1000000000E+01 12 0.2472515261E+00 0.1000000000E+01 0.1000000000E+01 13 0.9542155525E-01 0.1000000000E+01 0.1000000000E+01 D+ 1 0.1753542601E+04 0.1000000000E+01 0.1000000000E+01 2 0.6035070644E+03 0.1000000000E+01 0.1000000000E+01 3 0.2329416325E+03 0.1000000000E+01 0.1000000000E+01 4 0.9875412327E+02 0.1000000000E+01 0.1000000000E+01 5 0.4503512508E+02 0.1000000000E+01 0.1000000000E+01 6 0.2163615919E+02 0.1000000000E+01 0.1000000000E+01 7 0.1072472756E+02 0.1000000000E+01 0.1000000000E+01 8 0.5371731798E+01 0.1000000000E+01 0.1000000000E+01 9 0.2662618664E+01 0.1000000000E+01 0.1000000000E+01 10 0.1279130540E+01 0.1000000000E+01 0.1000000000E+01 11 0.5832794228E+00 0.1000000000E+01 0.1000000000E+01 12 0.2472515261E+00 0.1000000000E+01 0.1000000000E+01 13 0.9542155525E-01 0.1000000000E+01 0.1000000000E+01 UNIFORM SPHERE NUCLEUS MODEL S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 5 3 3 1 1 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+ 5S+ -7.3957594E+02 -1.0733023E+02 -1.9580371E+01 -3.0506883E+00 -2.3641687E-01 ------------ ------------ ------------ ------------ ------------ 1 -2.3144734E-06 7.6986481E-07 -3.2543143E-07 -1.2831755E-07 3.4433182E-08 2 -1.8450290E-05 6.1415243E-06 -2.5956794E-06 -1.0226845E-06 2.7428415E-07 3 -5.1570995E-05 1.7204558E-05 -7.2752185E-06 -2.8685000E-06 7.6969280E-07 4 -1.4523227E-04 4.8559439E-05 -2.0534504E-05 -8.0898228E-06 2.1694447E-06 5 -3.8684301E-04 1.2989140E-04 -5.4979924E-05 -2.1687343E-05 5.8205474E-06 6 -1.0420292E-03 3.5114074E-04 -1.4862461E-04 -5.8539310E-05 1.5694477E-05 7 -2.7953224E-03 9.4760154E-04 -4.0168541E-04 -1.5856968E-04 4.2574453E-05 8 -7.4337223E-03 2.5332211E-03 -1.0736271E-03 -4.2271980E-04 1.1328728E-04 9 -1.9233993E-02 6.6357255E-03 -2.8203446E-03 -1.1146697E-03 2.9944723E-04 10 -4.7363121E-02 1.6655513E-02 -7.0877971E-03 -2.7905013E-03 7.4749757E-04 11 -1.0744265E-01 3.9573088E-02 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6.4388514E-04 2P- 3P- 4P- -9.8398303E+01 -1.6126060E+01 -1.9539331E+00 ------------ ------------ ------------ 1 8.4443259E-05 -3.6706822E-05 1.3479827E-05 2 1.8208110E-04 -7.9176878E-05 2.9081296E-05 3 5.7653646E-04 -2.5098947E-04 9.2180493E-05 4 1.7422547E-03 -7.6022371E-04 2.7944262E-04 5 6.1014839E-03 -2.6766876E-03 9.8409828E-04 6 2.1511241E-02 -9.5312173E-03 3.5129532E-03 7 6.8739235E-02 -3.1154302E-02 1.1515051E-02 8 1.7595285E-01 -8.2964292E-02 3.0906016E-02 9 3.2376962E-01 -1.6163527E-01 6.0748983E-02 10 3.6592708E-01 -1.8616840E-01 7.0463627E-02 11 1.9217350E-01 1.1744044E-02 -1.6133473E-02 12 3.3689950E-02 3.7047400E-01 -1.8195708E-01 13 2.1050952E-03 5.0841224E-01 -2.9207048E-01 14 6.8957353E-05 2.0864131E-01 -2.4025204E-02 15 2.7572689E-05 1.3807060E-02 5.1238856E-01 16 -3.8480466E-05 1.7441590E-03 5.1879047E-01 17 4.4105952E-06 -2.9313868E-04 1.2434594E-01 18 1.7972075E-05 -7.8249075E-06 2.8726972E-06 19 5.8885088E-05 -2.5643845E-05 9.4269156E-06 20 2.0272928E-04 -8.8468012E-05 3.2488521E-05 21 6.5265426E-04 -2.8521717E-04 1.0489772E-04 22 1.9364512E-03 -8.5038483E-04 3.1265292E-04 23 5.0439239E-03 -2.2357176E-03 8.2413593E-04 24 1.1160229E-02 -5.0594387E-03 1.8700412E-03 25 1.9612950E-02 -9.2517698E-03 3.4467868E-03 26 2.5017937E-02 -1.2500929E-02 4.6988501E-03 27 1.9855723E-02 -1.0122506E-02 3.8328452E-03 28 7.3517376E-03 4.6843437E-04 -6.2751128E-04 29 8.6857332E-04 1.0238503E-02 -5.0256400E-03 30 -1.8826354E-06 9.9933333E-03 -5.7390557E-03 31 -2.0780622E-05 2.8873566E-03 -3.3427634E-04 32 -1.8834615E-05 1.3332065E-04 4.8926105E-03 33 -4.9515732E-06 1.1554743E-05 3.3334770E-03 34 -9.6796953E-06 -5.1962264E-07 5.1825680E-04 2P+ 3P+ 4P+ -9.4457604E+01 -1.5452805E+01 -1.8558364E+00 ------------ ------------ ------------ 1 1.6358133E-06 -7.1587496E-07 2.6206985E-07 2 1.3028829E-05 -5.7039228E-06 2.0934719E-06 3 1.0135905E-04 -4.4434061E-05 1.6277299E-05 4 6.6720936E-04 -2.9289169E-04 1.0749671E-04 5 3.6892138E-03 -1.6262941E-03 5.9648429E-04 6 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4.0106975E-03 28 8.0934509E-03 -4.5297041E-04 -2.1959965E-04 29 1.1036815E-03 9.6544824E-03 -4.7080708E-03 30 4.9385829E-05 1.0179289E-02 -5.8038706E-03 31 1.4183889E-06 3.1767306E-03 -7.3621399E-04 32 1.9813184E-07 1.6778408E-04 4.6863154E-03 33 -2.5267827E-07 1.2219233E-05 3.4480473E-03 34 1.8530713E-08 -1.2759119E-06 5.9753956E-04 3D- 4D- -9.3838943E+00 -4.0484909E-01 ------------ ------------ 1 -2.4118945E-04 -6.6795995E-05 2 -1.4571241E-03 -4.0430690E-04 3 -8.8650601E-03 -2.4672930E-03 4 -3.7595598E-02 -1.0523502E-02 5 -1.1593248E-01 -3.2827988E-02 6 -2.4679355E-01 -7.0112944E-02 7 -3.5111230E-01 -9.5710400E-02 8 -3.2417798E-01 -7.3937163E-02 9 -1.4759078E-01 7.0688405E-02 10 -2.2997442E-02 2.9046770E-01 11 -1.1674553E-03 4.1809401E-01 12 -2.0448669E-04 3.4000201E-01 13 -7.2781181E-05 1.2169319E-01 14 -7.0951728E-05 -1.9650789E-05 15 -3.1359828E-04 -8.7014333E-05 16 -1.2497377E-03 -3.4782486E-04 17 -3.5456341E-03 -9.9247358E-04 18 -7.4523688E-03 -2.1102924E-03 19 -1.1043778E-02 -3.1377931E-03 20 -1.1080345E-02 -3.0208000E-03 21 -7.2459418E-03 -1.6530590E-03 22 -2.3215508E-03 1.1131964E-03 23 -2.4975338E-04 3.1708889E-03 24 -7.9446035E-06 3.0822816E-03 25 -7.8664292E-07 1.6319941E-03 26 -1.1377504E-07 3.6286385E-04 3D+ 4D+ -9.2579570E+00 -3.9694689E-01 ------------ ------------ 1 1.6481599E-04 -4.5423797E-05 2 1.2637615E-03 -3.4903038E-04 3 8.2069577E-03 -2.2730807E-03 4 3.6134189E-02 -1.0066152E-02 5 1.1330947E-01 -3.1929296E-02 6 2.4374176E-01 -6.8956900E-02 7 3.5007758E-01 -9.5149692E-02 8 3.2719684E-01 -7.5238095E-02 9 1.5134758E-01 6.6240344E-02 10 2.4079412E-02 2.8503945E-01 11 1.2179766E-03 4.1721778E-01 12 2.1899998E-04 3.4506692E-01 13 7.5772290E-05 1.2736405E-01 14 6.2484264E-05 -1.7215194E-05 15 2.9108266E-04 -8.0368919E-05 16 1.1919469E-03 -3.3004413E-04 17 3.4434571E-03 -9.5904306E-04 18 7.3193081E-03 -2.0620640E-03 19 1.0933273E-02 -3.0926128E-03 20 1.1063506E-02 -3.0066098E-03 21 7.3208692E-03 -1.6833337E-03 22 2.3844506E-03 1.0430746E-03 23 2.6295926E-04 3.1118601E-03 24 8.9773101E-06 3.0759556E-03 25 1.0526543E-06 1.6563729E-03 26 2.2552520E-07 3.7980198E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -7.3957603E+02 -1.0733024E+02 -1.9580373E+01 -3.0506882E+00 -2.3641677E-01 ------------ ------------ ------------ ------------ ------------ 1 2.8383326E-06 9.4413245E-07 3.9908828E-07 -1.5734944E-07 4.2221750E-08 2 1.7976398E-05 5.9838822E-06 2.5290504E-06 -9.9642347E-07 2.6723937E-07 3 5.2013766E-05 1.7351879E-05 7.3374874E-06 -2.8930429E-06 7.7627766E-07 4 1.4481414E-04 4.8420329E-05 2.0475706E-05 -8.0666483E-06 2.1632296E-06 5 3.8728057E-04 1.3003704E-04 5.5041486E-05 -2.1711609E-05 5.8270621E-06 6 1.0415759E-03 3.5098982E-04 1.4856081E-04 -5.8514168E-05 1.5687745E-05 7 2.7958321E-03 9.4777145E-04 4.0175725E-04 -1.5859800E-04 4.2582087E-05 8 7.4331684E-03 2.5330360E-03 1.0735488E-03 -4.2268896E-04 1.1327911E-04 9 1.9234644E-02 6.6359441E-03 2.8204371E-03 -1.1147062E-03 2.9945728E-04 10 4.7362416E-02 1.6655274E-02 7.0876957E-03 -2.7904614E-03 7.4748754E-04 11 1.0744348E-01 3.9573376E-02 1.6980458E-02 -6.7292873E-03 1.8094926E-03 12 2.1135109E-01 8.4947639E-02 3.6824938E-02 -1.4527788E-02 3.8899124E-03 13 3.2242642E-01 1.5580485E-01 6.9638651E-02 -2.7867285E-02 7.5137170E-03 14 3.0221932E-01 1.9535188E-01 9.1125043E-02 -3.6218492E-02 9.6766480E-03 15 1.1525214E-01 4.3581454E-02 2.1453319E-02 -9.6213457E-03 2.7532867E-03 16 7.5590952E-03 -4.1241408E-01 -2.7563337E-01 1.2050713E-01 -3.3123960E-02 17 1.0947377E-03 -5.7608117E-01 -5.5112661E-01 2.4845756E-01 -6.7424835E-02 18 -5.9391624E-04 -1.7020140E-01 -5.4266852E-02 3.4056246E-02 -1.1342935E-02 19 2.8055847E-04 -7.0107222E-03 8.1206478E-01 -5.8564434E-01 1.7677197E-01 20 -1.8773507E-04 -8.1300483E-04 4.6135594E-01 -5.6927050E-01 1.7705138E-01 21 1.0362553E-04 2.0648384E-04 2.6194596E-03 6.7697646E-01 -2.5714860E-01 22 -5.0345392E-05 4.1917843E-05 1.1625185E-02 7.2563238E-01 -4.2265455E-01 23 2.4229785E-05 -5.5761004E-06 -4.8738355E-03 6.4164704E-02 -5.3786395E-02 24 -9.7291989E-06 4.8641168E-06 2.0405430E-03 3.0333232E-03 6.6152794E-01 25 2.5551923E-06 -1.4161843E-06 -5.4104592E-04 -9.8512505E-04 5.4173016E-01 26 4.5067198E-06 1.5003287E-06 6.3499496E-07 -2.5124566E-07 6.7577480E-08 27 4.7690459E-05 1.5838197E-05 6.6896341E-06 -2.6328897E-06 7.0565425E-07 28 1.4681986E-04 4.8818553E-05 2.0639756E-05 -8.1437188E-06 2.1863232E-06 29 3.6627007E-04 1.2167279E-04 5.1394468E-05 -2.0229291E-05 5.4220252E-06 30 8.3249947E-04 2.7697140E-04 1.1711440E-04 -4.6216756E-05 1.2408973E-05 31 1.7688156E-03 5.8818473E-04 2.4846332E-04 -9.7775333E-05 2.6202219E-05 32 3.5522528E-03 1.1850607E-03 5.0133556E-04 -1.9792167E-04 5.3153643E-05 33 6.7658011E-03 2.2627760E-03 9.5648078E-04 -3.7628557E-04 1.0081084E-04 34 1.2230939E-02 4.1369604E-03 1.7538161E-03 -6.9300747E-04 1.8619194E-04 35 2.0777899E-02 7.1592818E-03 3.0382354E-03 -1.1953441E-03 3.2013157E-04 36 3.2419429E-02 1.1707231E-02 5.0107055E-03 -1.9850663E-03 5.3379211E-04 37 4.3939022E-02 1.7330692E-02 7.4947269E-03 -2.9551995E-03 7.9117186E-04 38 4.6384722E-02 2.2028088E-02 9.8254278E-03 -3.9305769E-03 1.0597595E-03 39 3.0213507E-02 1.9238337E-02 8.9614815E-03 -3.5609570E-03 9.5135792E-04 40 8.0308295E-03 3.0677703E-03 1.5200310E-03 -6.8011265E-04 1.9427956E-04 41 3.6717661E-04 -1.9656250E-02 -1.3101683E-02 5.7257777E-03 -1.5738060E-03 42 3.7007706E-05 -1.9195584E-02 -1.8326332E-02 8.2598701E-03 -2.2414377E-03 43 -1.3984171E-05 -3.9402144E-03 -1.2636929E-03 7.9284143E-04 -2.6375181E-04 44 4.5689139E-06 -1.1195194E-04 1.2926596E-02 -9.3185132E-03 2.8125579E-03 45 -2.0793172E-06 -8.7425833E-06 5.0079297E-03 -6.1772664E-03 1.9212224E-03 46 7.7153130E-07 1.4553842E-06 1.9036465E-05 4.9332911E-03 -1.8737838E-03 47 -2.4761774E-07 2.2859935E-07 5.5917467E-05 3.4871485E-03 -2.0310208E-03 48 7.6964479E-08 -3.0221920E-08 -1.5126077E-05 1.9886931E-04 -1.6670601E-04 49 -1.9485295E-08 1.4894375E-08 3.9821551E-06 5.9115645E-06 1.2885614E-03 50 3.1434966E-09 -3.2636410E-09 -6.4497996E-07 -1.1717574E-06 6.4388299E-04 2P- 3P- 4P- -9.8398302E+01 -1.6126059E+01 -1.9539327E+00 ------------ ------------ ------------ 1 8.4443779E-05 -3.6707048E-05 1.3479911E-05 2 1.8208066E-04 -7.9176684E-05 2.9081225E-05 3 5.7653686E-04 -2.5098964E-04 9.2180558E-05 4 1.7422543E-03 -7.6022353E-04 2.7944256E-04 5 6.1014842E-03 -2.6766878E-03 9.8409836E-04 6 2.1511241E-02 -9.5312170E-03 3.5129531E-03 7 6.8739235E-02 -3.1154301E-02 1.1515051E-02 8 1.7595285E-01 -8.2964291E-02 3.0906016E-02 9 3.2376962E-01 -1.6163527E-01 6.0748984E-02 10 3.6592708E-01 -1.8616840E-01 7.0463628E-02 11 1.9217350E-01 1.1744041E-02 -1.6133470E-02 12 3.3689951E-02 3.7047400E-01 -1.8195709E-01 13 2.1050954E-03 5.0841224E-01 -2.9207048E-01 14 6.8957224E-05 2.0864131E-01 -2.4025230E-02 15 2.7572798E-05 1.3807061E-02 5.1238861E-01 16 -3.8480507E-05 1.7441583E-03 5.1879041E-01 17 4.4106002E-06 -2.9313878E-04 1.2434597E-01 18 1.7972050E-05 -7.8248967E-06 2.8726933E-06 19 5.8885095E-05 -2.5643848E-05 9.4269167E-06 20 2.0272928E-04 -8.8468011E-05 3.2488521E-05 21 6.5265426E-04 -2.8521717E-04 1.0489772E-04 22 1.9364512E-03 -8.5038482E-04 3.1265292E-04 23 5.0439239E-03 -2.2357175E-03 8.2413593E-04 24 1.1160229E-02 -5.0594387E-03 1.8700412E-03 25 1.9612950E-02 -9.2517697E-03 3.4467868E-03 26 2.5017937E-02 -1.2500929E-02 4.6988502E-03 27 1.9855723E-02 -1.0122506E-02 3.8328452E-03 28 7.3517376E-03 4.6843427E-04 -6.2751115E-04 29 8.6857336E-04 1.0238503E-02 -5.0256402E-03 30 -1.8826443E-06 9.9933332E-03 -5.7390556E-03 31 -2.0780616E-05 2.8873566E-03 -3.3427669E-04 32 -1.8834618E-05 1.3332066E-04 4.8926110E-03 33 -4.9515719E-06 1.1554738E-05 3.3334765E-03 34 -9.6796957E-06 -5.1962289E-07 5.1825694E-04 2P+ 3P+ 4P+ -9.4457603E+01 -1.5452805E+01 -1.8558359E+00 ------------ ------------ ------------ 1 1.6358071E-06 -7.1587224E-07 2.6206886E-07 2 1.3028831E-05 -5.7039237E-06 2.0934722E-06 3 1.0135905E-04 -4.4434059E-05 1.6277299E-05 4 6.6720935E-04 -2.9289169E-04 1.0749671E-04 5 3.6892138E-03 -1.6262940E-03 5.9648429E-04 6 1.6578700E-02 -7.3754213E-03 2.7124421E-03 7 5.9647490E-02 -2.7114709E-02 9.9964806E-03 8 1.6328473E-01 -7.7194025E-02 2.8683423E-02 9 3.1526866E-01 -1.5779937E-01 5.9147681E-02 10 3.7367397E-01 -1.9374289E-01 7.3361073E-02 11 2.0839061E-01 -1.1438839E-02 -5.7897186E-03 12 3.9870433E-02 3.4962198E-01 -1.7054676E-01 13 2.5048486E-03 5.1807985E-01 -2.9546923E-01 14 1.0644887E-04 2.2967415E-01 -5.3199229E-02 15 1.8065083E-05 1.7563751E-02 4.9060581E-01 16 -3.7675451E-05 1.8977412E-03 5.3655105E-01 17 3.7276374E-06 -3.0406271E-04 1.4310650E-01 18 4.0103893E-06 -1.7529389E-06 6.4081728E-07 19 2.2513212E-05 -9.8347141E-06 3.6102870E-06 20 1.1049900E-04 -4.8318595E-05 1.7688912E-05 21 4.4661968E-04 -1.9551109E-04 7.1730141E-05 22 1.5244933E-03 -6.7015219E-04 2.4567158E-04 23 4.3279680E-03 -1.9202552E-03 7.0591396E-04 24 1.0132930E-02 -4.5947992E-03 1.6932782E-03 25 1.8581010E-02 -8.7651830E-03 3.2558273E-03 26 2.4641716E-02 -1.2311084E-02 4.6132183E-03 27 2.0459166E-02 -1.0593453E-02 4.0106975E-03 28 8.0934509E-03 -4.5297051E-04 -2.1959951E-04 29 1.1036815E-03 9.6544824E-03 -4.7080710E-03 30 4.9385823E-05 1.0179289E-02 -5.8038704E-03 31 1.4183948E-06 3.1767306E-03 -7.3621436E-04 32 1.9812777E-07 1.6778409E-04 4.6863159E-03 33 -2.5267653E-07 1.2219232E-05 3.4480469E-03 34 1.8530468E-08 -1.2759131E-06 5.9753973E-04 3D- 4D- -9.3838938E+00 -4.0484856E-01 ------------ ------------ 1 -2.4118944E-04 -6.6795986E-05 2 -1.4571241E-03 -4.0430684E-04 3 -8.8650600E-03 -2.4672926E-03 4 -3.7595597E-02 -1.0523500E-02 5 -1.1593248E-01 -3.2827983E-02 6 -2.4679355E-01 -7.0112934E-02 7 -3.5111230E-01 -9.5710387E-02 8 -3.2417798E-01 -7.3937153E-02 9 -1.4759078E-01 7.0688387E-02 10 -2.2997443E-02 2.9046767E-01 11 -1.1674545E-03 4.1809394E-01 12 -2.0448664E-04 3.4000200E-01 13 -7.2781341E-05 1.2169342E-01 14 -7.0951727E-05 -1.9650787E-05 15 -3.1359827E-04 -8.7014320E-05 16 -1.2497377E-03 -3.4782481E-04 17 -3.5456341E-03 -9.9247343E-04 18 -7.4523687E-03 -2.1102921E-03 19 -1.1043778E-02 -3.1377927E-03 20 -1.1080345E-02 -3.0207996E-03 21 -7.2459418E-03 -1.6530588E-03 22 -2.3215508E-03 1.1131961E-03 23 -2.4975339E-04 3.1708885E-03 24 -7.9445977E-06 3.0822811E-03 25 -7.8664269E-07 1.6319941E-03 26 -1.1377552E-07 3.6286456E-04 3D+ 4D+ -9.2579564E+00 -3.9694636E-01 ------------ ------------ 1 1.6481599E-04 -4.5423790E-05 2 1.2637615E-03 -3.4903033E-04 3 8.2069576E-03 -2.2730804E-03 4 3.6134189E-02 -1.0066150E-02 5 1.1330946E-01 -3.1929291E-02 6 2.4374176E-01 -6.8956890E-02 7 3.5007758E-01 -9.5149679E-02 8 3.2719684E-01 -7.5238084E-02 9 1.5134758E-01 6.6240325E-02 10 2.4079413E-02 2.8503942E-01 11 1.2179756E-03 4.1721770E-01 12 2.1900001E-04 3.4506691E-01 13 7.5772457E-05 1.2736430E-01 14 6.2484263E-05 -1.7215192E-05 15 2.9108265E-04 -8.0368905E-05 16 1.1919468E-03 -3.3004408E-04 17 3.4434571E-03 -9.5904290E-04 18 7.3193081E-03 -2.0620637E-03 19 1.0933273E-02 -3.0926123E-03 20 1.1063506E-02 -3.0066094E-03 21 7.3208692E-03 -1.6833334E-03 22 2.3844506E-03 1.0430743E-03 23 2.6295928E-04 3.1118597E-03 24 8.9773027E-06 3.0759550E-03 25 1.0526544E-06 1.6563728E-03 26 2.2552570E-07 3.7980272E-04 ____________________ SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1702220962E+09 0.1000000000E+01 0.1000000000E+01 2 0.3907235835E+08 0.1000000000E+01 0.1000000000E+01 3 0.9900772778E+07 0.1000000000E+01 0.1000000000E+01 4 0.2749974031E+07 0.1000000000E+01 0.1000000000E+01 5 0.8313087973E+06 0.1000000000E+01 0.1000000000E+01 6 0.2715718173E+06 0.1000000000E+01 0.1000000000E+01 7 0.9519405189E+05 0.1000000000E+01 0.1000000000E+01 8 0.3555101240E+05 0.1000000000E+01 0.1000000000E+01 9 0.1404511930E+05 0.1000000000E+01 0.1000000000E+01 10 0.5828334190E+04 0.1000000000E+01 0.1000000000E+01 11 0.2522454063E+04 0.1000000000E+01 0.1000000000E+01 12 0.1130514526E+04 0.1000000000E+01 0.1000000000E+01 13 0.5209755513E+03 0.1000000000E+01 0.1000000000E+01 14 0.2451100435E+03 0.1000000000E+01 0.1000000000E+01 15 0.1169019333E+03 0.1000000000E+01 0.1000000000E+01 16 0.5611944346E+02 0.1000000000E+01 0.1000000000E+01 17 0.2692466741E+02 0.1000000000E+01 0.1000000000E+01 18 0.1281878674E+02 0.1000000000E+01 0.1000000000E+01 19 0.6013361805E+01 0.1000000000E+01 0.1000000000E+01 20 0.2759788737E+01 0.1000000000E+01 0.1000000000E+01 21 0.1230372698E+01 0.1000000000E+01 0.1000000000E+01 22 0.5290712129E+00 0.1000000000E+01 0.1000000000E+01 23 0.2178825404E+00 0.1000000000E+01 0.1000000000E+01 24 0.8532490913E-01 0.1000000000E+01 0.1000000000E+01 25 0.3154921795E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.5749058874E+06 0.1000000000E+01 0.1000000000E+01 2 0.1221468969E+06 0.1000000000E+01 0.1000000000E+01 3 0.3057504265E+05 0.1000000000E+01 0.1000000000E+01 4 0.8864463139E+04 0.1000000000E+01 0.1000000000E+01 5 0.2926444705E+04 0.1000000000E+01 0.1000000000E+01 6 0.1081514900E+04 0.1000000000E+01 0.1000000000E+01 7 0.4398765142E+03 0.1000000000E+01 0.1000000000E+01 8 0.1935694916E+03 0.1000000000E+01 0.1000000000E+01 9 0.9060511039E+02 0.1000000000E+01 0.1000000000E+01 10 0.4434859967E+02 0.1000000000E+01 0.1000000000E+01 11 0.2231620515E+02 0.1000000000E+01 0.1000000000E+01 12 0.1134947515E+02 0.1000000000E+01 0.1000000000E+01 13 0.5735192429E+01 0.1000000000E+01 0.1000000000E+01 14 0.2830992871E+01 0.1000000000E+01 0.1000000000E+01 15 0.1341991936E+01 0.1000000000E+01 0.1000000000E+01 16 0.6005970146E+00 0.1000000000E+01 0.1000000000E+01 17 0.2494826493E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.5749058874E+06 0.1000000000E+01 0.1000000000E+01 2 0.1221468969E+06 0.1000000000E+01 0.1000000000E+01 3 0.3057504265E+05 0.1000000000E+01 0.1000000000E+01 4 0.8864463139E+04 0.1000000000E+01 0.1000000000E+01 5 0.2926444705E+04 0.1000000000E+01 0.1000000000E+01 6 0.1081514900E+04 0.1000000000E+01 0.1000000000E+01 7 0.4398765142E+03 0.1000000000E+01 0.1000000000E+01 8 0.1935694916E+03 0.1000000000E+01 0.1000000000E+01 9 0.9060511039E+02 0.1000000000E+01 0.1000000000E+01 10 0.4434859967E+02 0.1000000000E+01 0.1000000000E+01 11 0.2231620515E+02 0.1000000000E+01 0.1000000000E+01 12 0.1134947515E+02 0.1000000000E+01 0.1000000000E+01 13 0.5735192429E+01 0.1000000000E+01 0.1000000000E+01 14 0.2830992871E+01 0.1000000000E+01 0.1000000000E+01 15 0.1341991936E+01 0.1000000000E+01 0.1000000000E+01 16 0.6005970146E+00 0.1000000000E+01 0.1000000000E+01 17 0.2494826493E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.1488058285E+04 0.1000000000E+01 0.1000000000E+01 2 0.5248991670E+03 0.1000000000E+01 0.1000000000E+01 3 0.2056587928E+03 0.1000000000E+01 0.1000000000E+01 4 0.8776172593E+02 0.1000000000E+01 0.1000000000E+01 5 0.3999636478E+02 0.1000000000E+01 0.1000000000E+01 6 0.1908817442E+02 0.1000000000E+01 0.1000000000E+01 7 0.9354224636E+01 0.1000000000E+01 0.1000000000E+01 8 0.4615531708E+01 0.1000000000E+01 0.1000000000E+01 9 0.2248418983E+01 0.1000000000E+01 0.1000000000E+01 10 0.1060340442E+01 0.1000000000E+01 0.1000000000E+01 11 0.4746757042E+00 0.1000000000E+01 0.1000000000E+01 12 0.1977895277E+00 0.1000000000E+01 0.1000000000E+01 13 0.7522032630E-01 0.1000000000E+01 0.1000000000E+01 D+ 1 0.1488058285E+04 0.1000000000E+01 0.1000000000E+01 2 0.5248991670E+03 0.1000000000E+01 0.1000000000E+01 3 0.2056587928E+03 0.1000000000E+01 0.1000000000E+01 4 0.8776172593E+02 0.1000000000E+01 0.1000000000E+01 5 0.3999636478E+02 0.1000000000E+01 0.1000000000E+01 6 0.1908817442E+02 0.1000000000E+01 0.1000000000E+01 7 0.9354224636E+01 0.1000000000E+01 0.1000000000E+01 8 0.4615531708E+01 0.1000000000E+01 0.1000000000E+01 9 0.2248418983E+01 0.1000000000E+01 0.1000000000E+01 10 0.1060340442E+01 0.1000000000E+01 0.1000000000E+01 11 0.4746757042E+00 0.1000000000E+01 0.1000000000E+01 12 0.1977895277E+00 0.1000000000E+01 0.1000000000E+01 13 0.7522032630E-01 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 4 3 3 1 1 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+ 5S+ -7.3945572E+02 -1.0720221E+02 -1.9452056E+01 -2.9295859E+00 -2.1183363E-01 ------------ ------------ ------------ ------------ ------------ 1 2.8430890E-06 -9.4575945E-07 -3.9969156E-07 1.5662794E-07 -3.8377331E-08 2 1.9177286E-05 -6.3837324E-06 -2.6977448E-06 1.0559706E-06 -2.5862457E-07 3 5.2480766E-05 -1.7509769E-05 -7.4027984E-06 2.9009168E-06 -7.1077374E-07 4 1.4553559E-04 -4.8660730E-05 -2.0575501E-05 8.0522678E-06 -1.9719411E-06 5 3.8302591E-04 -1.2861792E-04 -5.4427427E-05 2.1341083E-05 -5.2299125E-06 6 1.0215891E-03 -3.4420808E-04 -1.4568385E-04 5.6988351E-05 -1.3953086E-05 7 2.7202875E-03 -9.2215210E-04 -3.9076506E-04 1.5337659E-04 -3.7599404E-05 8 7.2030877E-03 -2.4538056E-03 -1.0399975E-03 4.0655179E-04 -9.9509185E-05 9 1.8630642E-02 -6.4255243E-03 -2.7296423E-03 1.0729864E-03 -2.6315731E-04 10 4.6046142E-02 -1.6174435E-02 -6.8834720E-03 2.6897055E-03 -6.5811877E-04 11 1.0531568E-01 -3.8722562E-02 -1.6600894E-02 6.5454510E-03 -1.6065459E-03 12 2.0963367E-01 -8.3972725E-02 -3.6400837E-02 1.4244821E-02 -3.4846754E-03 13 3.2434452E-01 -1.5610578E-01 -6.9659085E-02 2.7753361E-02 -6.8271643E-03 14 3.0675097E-01 -1.9787059E-01 -9.2397572E-02 3.6346900E-02 -8.8806555E-03 15 1.1556509E-01 -4.1799578E-02 -2.0170326E-02 9.3866087E-03 -2.4231070E-03 16 6.8525656E-03 4.3040726E-01 2.8880058E-01 -1.2632667E-01 3.1608840E-02 17 1.1645343E-03 5.7526203E-01 5.6015369E-01 -2.4981665E-01 6.2026551E-02 18 -6.5077279E-04 1.5297779E-01 -1.0700052E-03 -9.5885441E-03 3.8134252E-03 19 3.1319715E-04 5.8521701E-03 -8.4415653E-01 6.3381239E-01 -1.7420604E-01 20 -2.0282072E-04 2.5095584E-04 -4.0492121E-01 4.8797609E-01 -1.3779492E-01 21 1.1260912E-04 6.7403709E-05 4.6842137E-03 -7.5473287E-01 2.6584456E-01 22 -5.5462489E-05 -1.7915745E-04 -1.1188285E-02 -6.5002320E-01 3.4014312E-01 23 2.6720107E-05 7.5495430E-05 4.6596807E-03 -4.8423940E-02 6.7768011E-02 24 -1.0829067E-05 -3.3112882E-05 -1.9372897E-03 -4.0811994E-03 -6.0937005E-01 25 2.8595290E-06 9.1766886E-06 5.2185151E-04 6.9698088E-04 -5.8284697E-01 26 2.9902794E-06 -9.9718792E-07 -4.2201147E-07 1.6687515E-07 -4.1025882E-08 27 5.0881685E-05 -1.6896135E-05 -7.1366249E-06 2.7890988E-06 -6.8270228E-07 28 1.4863848E-04 -4.9428535E-05 -2.0891098E-05 8.1960909E-06 -2.0090989E-06 29 3.6641556E-04 -1.2170628E-04 -5.1408693E-05 2.0092403E-05 -4.9182186E-06 30 8.2366328E-04 -2.7406276E-04 -1.1584560E-04 4.5459613E-05 -1.1144399E-05 31 1.7382031E-03 -5.7791792E-04 -2.4413522E-04 9.5384350E-05 -2.3345032E-05 32 3.4773501E-03 -1.1601653E-03 -4.9061028E-04 1.9262923E-04 -4.7231986E-05 33 6.6159194E-03 -2.2119488E-03 -9.3507395E-04 3.6516257E-04 -8.9353475E-05 34 1.1982175E-02 -4.0517228E-03 -1.7167646E-03 6.7479495E-04 -1.6551230E-04 35 2.0446605E-02 -7.0371983E-03 -2.9866800E-03 1.1661174E-03 -2.8527297E-04 36 3.2145225E-02 -1.1587941E-02 -4.9552033E-03 1.9532367E-03 -4.7941520E-04 37 4.3997934E-02 -1.7294695E-02 -7.4789110E-03 2.9250854E-03 -7.1547409E-04 38 4.6956705E-02 -2.2210075E-02 -9.8902645E-03 3.9392755E-03 -9.6901353E-04 39 3.0732332E-02 -1.9527755E-02 -9.1058515E-03 3.5811203E-03 -8.7494266E-04 40 8.0300534E-03 -2.9390942E-03 -1.4294319E-03 6.6256664E-04 -1.7079074E-04 41 3.2995973E-04 2.0345278E-02 1.3615008E-02 -5.9532300E-03 1.4895353E-03 42 3.8868188E-05 1.8896540E-02 1.8362881E-02 -8.1875783E-03 2.0328172E-03 43 -1.5038921E-05 3.4695593E-03 -1.4000440E-05 -2.2338437E-04 8.7957860E-05 44 4.9804039E-06 9.1045325E-05 -1.3083403E-02 9.8193348E-03 -2.6987455E-03 45 -2.1831767E-06 2.5183598E-06 -4.2531396E-03 5.1239507E-03 -1.4469257E-03 46 8.1139437E-07 5.3985853E-07 3.2921453E-05 -5.2905562E-03 1.8634205E-03 47 -2.6340124E-07 -8.5896294E-07 -5.1484606E-05 -2.9881820E-03 1.5635676E-03 48 8.1966144E-08 2.3932843E-07 1.3766733E-05 -1.4285262E-04 1.9991521E-04 49 -2.1049768E-08 -6.8030817E-08 -3.5839481E-06 -7.5351716E-06 -1.1249009E-03 50 3.4682049E-09 1.2310721E-08 5.8780149E-07 7.8268201E-07 -6.5425384E-04 2P- 3P- 4P- -9.8271937E+01 -1.5999244E+01 -1.8467535E+00 ------------ ------------ ------------ 1 -8.2997434E-05 3.6076213E-05 1.3144641E-05 2 -1.8390183E-04 7.9962372E-05 2.9140982E-05 3 -5.8361561E-04 2.5406416E-04 9.2576562E-05 4 -1.7839999E-03 7.7839318E-04 2.8391086E-04 5 -6.2893313E-03 2.7594664E-03 1.0065167E-03 6 -2.2230866E-02 9.8523279E-03 3.6036049E-03 7 -7.0748017E-02 3.2091449E-02 1.1768392E-02 8 -1.7936648E-01 8.4666961E-02 3.1306447E-02 9 -3.2589299E-01 1.6295386E-01 6.0761434E-02 10 -3.6305618E-01 1.8415218E-01 6.9164730E-02 11 -1.8785138E-01 -1.7277005E-02 -1.8551828E-02 12 -3.2497053E-02 -3.7498966E-01 -1.8244463E-01 13 -1.9878637E-03 -5.0778125E-01 -2.9066468E-01 14 -8.4837205E-05 -2.0298688E-01 -1.2354919E-02 15 -1.1312238E-05 -1.2424002E-02 5.1768020E-01 16 3.2984630E-05 -1.7621742E-03 5.1062123E-01 17 -1.1294617E-06 2.3640965E-04 1.2262472E-01 18 -1.7707593E-05 7.7097593E-06 2.8078701E-06 19 -5.9139078E-05 2.5750414E-05 9.3938168E-06 20 -2.0566274E-04 8.9751048E-05 3.2696587E-05 21 -6.6736653E-04 2.9161602E-04 1.0643046E-04 22 -1.9868083E-03 8.7262038E-04 3.1828043E-04 23 -5.1688800E-03 2.2915920E-03 8.3830165E-04 24 -1.1374012E-02 5.1606753E-03 1.8924819E-03 25 -1.9801131E-02 9.3508845E-03 3.4579029E-03 26 -2.4967834E-02 1.2495917E-02 4.6599085E-03 27 -1.9559428E-02 9.9418798E-03 3.7355682E-03 28 -7.1427322E-03 -6.7851406E-04 -7.1685698E-04 29 -8.3130782E-04 -1.0309886E-02 -5.0131788E-03 30 3.9679392E-06 -9.9263421E-03 -5.6802074E-03 31 2.0765533E-05 -2.7890827E-03 -1.7171880E-04 32 1.8560474E-05 -1.1881329E-04 4.8909291E-03 33 5.2428416E-06 -1.1513764E-05 3.2281838E-03 34 9.2800943E-06 2.8970703E-07 4.9883060E-04 2P+ 3P+ 4P+ -9.4331037E+01 -1.5325966E+01 -1.7495917E+00 ------------ ------------ ------------ 1 -1.5861615E-06 6.9422619E-07 2.5193191E-07 2 -1.3015261E-05 5.6966330E-06 2.0740643E-06 3 -1.0316586E-04 4.5229564E-05 1.6426373E-05 4 -6.8809494E-04 3.0201910E-04 1.0994648E-04 5 -3.8282996E-03 1.6878511E-03 6.1380343E-04 6 -1.7199503E-02 7.6530718E-03 2.7917212E-03 7 -6.1527719E-02 2.7992354E-02 1.0233413E-02 8 -1.6668234E-01 7.8885913E-02 2.9079973E-02 9 -3.1768216E-01 1.5926875E-01 5.9195710E-02 10 -3.7113236E-01 1.9204064E-01 7.2134938E-02 11 -2.0396032E-01 6.0047219E-03 -8.2206489E-03 12 -3.8507326E-02 -3.5441155E-01 -1.7111088E-01 13 -2.3657589E-03 -5.1802509E-01 -2.9428779E-01 14 -1.2175751E-04 -2.2385437E-01 -4.1708132E-02 15 -1.6438148E-06 -1.5910967E-02 4.9648660E-01 16 3.2088214E-05 -1.9199970E-03 5.2863542E-01 17 -2.1887593E-07 2.3962996E-04 1.4118376E-01 18 -3.9154187E-06 1.7119481E-06 6.2016200E-07 19 -2.2541334E-05 9.8439103E-06 3.5853082E-06 20 -1.1224661E-04 4.9088029E-05 1.7815131E-05 21 -4.5771191E-04 2.0033659E-04 7.2905512E-05 22 -1.5674467E-03 6.8913926E-04 2.5048372E-04 23 -4.4423751E-03 1.9713967E-03 7.1884016E-04 24 -1.0339834E-02 4.6925012E-03 1.7147656E-03 25 -1.8778289E-02 8.8679448E-03 3.2679264E-03 26 -2.4616007E-02 1.2318566E-02 4.5771556E-03 27 -2.0175472E-02 1.0425863E-02 3.9157045E-03 28 -7.8751861E-03 2.4094273E-04 -3.1200074E-04 29 -1.0604668E-03 -9.7364370E-03 -4.6993618E-03 30 -4.6379414E-05 -1.0122592E-02 -5.7490839E-03 31 -1.6266650E-06 -3.0740806E-03 -5.7320382E-04 32 -3.6608817E-08 -1.5038521E-04 4.6923542E-03 33 2.1156794E-07 -1.2162349E-05 3.3425515E-03 34 -3.3141179E-09 9.8236279E-07 5.7536385E-04 3D- 4D- -9.2587198E+00 -3.0132670E-01 ------------ ------------ 1 3.2427621E-04 -8.4965816E-05 2 1.8816852E-03 -4.9239508E-04 3 1.1125004E-02 -2.9290454E-03 4 4.5534513E-02 -1.2037294E-02 5 1.3639953E-01 -3.6584371E-02 6 2.7550040E-01 -7.3509417E-02 7 3.6749016E-01 -9.3708194E-02 8 2.9943076E-01 -5.3092273E-02 9 1.0762782E-01 1.1580312E-01 10 1.2005888E-02 3.1543550E-01 11 6.9623547E-04 3.9712279E-01 12 1.9368541E-04 3.1647809E-01 13 7.9925345E-05 1.2528871E-01 14 9.1225727E-05 -2.3916548E-05 15 3.8268927E-04 -1.0012716E-04 16 1.4808793E-03 -3.8991446E-04 17 4.0567674E-03 -1.0724141E-03 18 8.2702859E-03 -2.2182981E-03 19 1.1584824E-02 -3.0914008E-03 20 1.0832990E-02 -2.7627317E-03 21 6.2041760E-03 -1.1004512E-03 22 1.5550677E-03 1.6758927E-03 23 1.1827657E-04 3.1352302E-03 24 4.0931365E-06 2.6411131E-03 25 6.8673180E-07 1.3586708E-03 26 1.3257357E-07 3.3169643E-04 3D+ 4D+ -9.1326895E+00 -2.9386004E-01 ------------ ------------ 1 2.3080529E-04 6.0071372E-05 2 1.6567839E-03 4.3038916E-04 3 1.0366407E-02 2.7095581E-03 4 4.3910731E-02 1.1523851E-02 5 1.3356219E-01 3.5562425E-02 6 2.7252850E-01 7.2248616E-02 7 3.6719511E-01 9.3170011E-02 8 3.0316429E-01 5.4819661E-02 9 1.1087352E-01 -1.1065884E-01 10 1.2622520E-02 -3.1000902E-01 11 7.2467172E-04 -3.9658790E-01 12 2.0264520E-04 -3.2174640E-01 13 8.5438937E-05 -1.3245467E-01 14 8.1076560E-05 2.1097364E-05 15 3.5693810E-04 9.2692741E-05 16 1.4166450E-03 3.7018860E-04 17 3.9476086E-03 1.0357599E-03 18 8.1338184E-03 2.1652871E-03 19 1.1484252E-02 3.0440441E-03 20 1.0838597E-02 2.7497710E-03 21 6.2879558E-03 1.1370604E-03 22 1.6051820E-03 -1.6014960E-03 23 1.2551656E-04 -3.0815029E-03 24 4.8118587E-06 -2.6376584E-03 25 8.7335161E-07 -1.3813376E-03 26 2.2518750E-07 -3.5068827E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -7.3945581E+02 -1.0720222E+02 -1.9452057E+01 -2.9295862E+00 -2.1183364E-01 ------------ ------------ ------------ ------------ ------------ 1 3.3608727E-06 -1.1180098E-06 -4.7248311E-07 -1.8513832E-07 4.5361633E-08 2 1.8690673E-05 -6.2218518E-06 -2.6293357E-06 -1.0291776E-06 2.5206101E-07 3 5.2939700E-05 -1.7662476E-05 -7.4673329E-06 -2.9261925E-06 7.1696570E-07 4 1.4510066E-04 -4.8516018E-05 -2.0514345E-05 -8.0283153E-06 1.9660734E-06 5 3.8348038E-04 -1.2876920E-04 -5.4491360E-05 -2.1366124E-05 5.2360468E-06 6 1.0211191E-03 -3.4405157E-04 -1.4561770E-04 -5.6962443E-05 1.3946739E-05 7 2.7208128E-03 -9.2232723E-04 -3.9083910E-04 -1.5340558E-04 3.7606510E-05 8 7.2025205E-03 -2.4536162E-03 -1.0399173E-03 -4.0652041E-04 9.9501491E-05 9 1.8631301E-02 -6.4257457E-03 -2.7297360E-03 -1.0730231E-03 2.6316631E-04 10 4.6045436E-02 -1.6174196E-02 -6.8833705E-03 -2.6896657E-03 6.5810902E-04 11 1.0531651E-01 -3.8722846E-02 -1.6601015E-02 -6.5454984E-03 1.6065575E-03 12 2.0963284E-01 -8.3972431E-02 -3.6400711E-02 -1.4244771E-02 3.4846634E-03 13 3.2434539E-01 -1.5610611E-01 -6.9659228E-02 -2.7753417E-02 6.8271776E-03 14 3.0675010E-01 -1.9787024E-01 -9.2397415E-02 -3.6346836E-02 8.8806416E-03 15 1.1556578E-01 -4.1799835E-02 -2.0170439E-02 -9.3866544E-03 2.4231157E-03 16 6.8519746E-03 4.3040761E-01 2.8880077E-01 1.2632675E-01 -3.1608858E-02 17 1.1649662E-03 5.7526174E-01 5.6015354E-01 2.4981658E-01 -6.2026536E-02 18 -6.5106601E-04 1.5297792E-01 -1.0700163E-03 9.5885265E-03 -3.8134233E-03 19 3.1338188E-04 5.8520469E-03 -8.4415665E-01 -6.3381249E-01 1.7420608E-01 20 -2.0293033E-04 2.5103214E-04 -4.0492106E-01 -4.8797588E-01 1.3779488E-01 21 1.1267055E-04 6.7357894E-05 4.6841873E-03 7.5473281E-01 -2.6584466E-01 22 -5.5494674E-05 -1.7913191E-04 -1.1188275E-02 6.5002326E-01 -3.4014290E-01 23 2.6735449E-05 7.5482918E-05 4.6596904E-03 4.8423804E-02 -6.7768328E-02 24 -1.0835381E-05 -3.3107537E-05 -1.9373022E-03 4.0812892E-03 6.0937051E-01 25 2.8613938E-06 9.1749067E-06 5.2185836E-04 -6.9702907E-04 5.8284668E-01 26 5.6543119E-06 -1.8823632E-06 -7.9601068E-07 -3.1333080E-07 7.6901372E-08 27 5.0180496E-05 -1.6663170E-05 -7.0381951E-06 -2.7505548E-06 6.7326069E-07 28 1.4901114E-04 -4.9552435E-05 -2.0943452E-05 -8.2165927E-06 2.0141210E-06 29 3.6625658E-04 -1.2165339E-04 -5.1386339E-05 -2.0083649E-05 4.9160746E-06 30 8.2378247E-04 -2.7410255E-04 -1.1586242E-04 -4.5466201E-05 1.1146013E-05 31 1.7381516E-03 -5.7790052E-04 -2.4412785E-04 -9.5381461E-05 2.3344325E-05 32 3.4774020E-03 -1.1601830E-03 -4.9061782E-04 -1.9263218E-04 4.7232710E-05 33 6.6159004E-03 -2.2119417E-03 -9.3507088E-04 -3.6516135E-04 8.9353179E-05 34 1.1982202E-02 -4.0517331E-03 -1.7167691E-03 -6.7479670E-04 1.6551273E-04 35 2.0446603E-02 -7.0371955E-03 -2.9866787E-03 -1.1661169E-03 2.8527284E-04 36 3.2145236E-02 -1.1587948E-02 -4.9552064E-03 -1.9532379E-03 4.7941549E-04 37 4.3997944E-02 -1.7294695E-02 -7.4789104E-03 -2.9250850E-03 7.1547404E-04 38 4.6956695E-02 -2.2210078E-02 -9.8902659E-03 -3.9392761E-03 9.6901363E-04 39 3.0732345E-02 -1.9527752E-02 -9.1058498E-03 -3.5811195E-03 8.7494259E-04 40 8.0300313E-03 -2.9390889E-03 -1.4294299E-03 -6.6256599E-04 1.7079042E-04 41 3.2997835E-04 2.0345279E-02 1.3615011E-02 5.9532311E-03 -1.4895355E-03 42 3.8852208E-05 1.8896540E-02 1.8362881E-02 8.1875777E-03 -2.0328171E-03 43 -1.5026946E-05 3.4695561E-03 -1.4003287E-05 2.2338296E-04 -8.7957566E-05 44 4.9723234E-06 9.1047014E-05 -1.3083403E-02 -9.8193358E-03 2.6987459E-03 45 -2.1782038E-06 2.5171480E-06 -4.2531389E-03 -5.1239488E-03 1.4469254E-03 46 8.0856853E-07 5.4060851E-07 3.2921729E-05 5.2905559E-03 -1.8634212E-03 47 -2.6190871E-07 -8.5938648E-07 -5.1484794E-05 2.9881822E-03 -1.5635666E-03 48 8.1239703E-08 2.3954729E-07 1.3766872E-05 1.4285226E-04 -1.9991615E-04 49 -2.0741077E-08 -6.8128146E-08 -3.5840151E-06 7.5353201E-06 1.1249017E-03 50 3.3779626E-09 1.2340204E-08 5.8782044E-07 -7.8273011E-07 6.5425352E-04 2P- 3P- 4P- -9.8271937E+01 -1.5999244E+01 -1.8467534E+00 ------------ ------------ ------------ 1 -8.2997970E-05 3.6076446E-05 1.3144726E-05 2 -1.8390138E-04 7.9962175E-05 2.9140910E-05 3 -5.8361601E-04 2.5406433E-04 9.2576625E-05 4 -1.7839995E-03 7.7839301E-04 2.8391080E-04 5 -6.2893317E-03 2.7594665E-03 1.0065167E-03 6 -2.2230865E-02 9.8523276E-03 3.6036048E-03 7 -7.0748017E-02 3.2091449E-02 1.1768392E-02 8 -1.7936648E-01 8.4666960E-02 3.1306446E-02 9 -3.2589299E-01 1.6295386E-01 6.0761434E-02 10 -3.6305618E-01 1.8415218E-01 6.9164730E-02 11 -1.8785138E-01 -1.7277001E-02 -1.8551827E-02 12 -3.2497053E-02 -3.7498966E-01 -1.8244462E-01 13 -1.9878640E-03 -5.0778125E-01 -2.9066468E-01 14 -8.4837069E-05 -2.0298688E-01 -1.2354925E-02 15 -1.1312344E-05 -1.2424003E-02 5.1768020E-01 16 3.2984683E-05 -1.7621740E-03 5.1062123E-01 17 -1.1294662E-06 2.3640971E-04 1.2262473E-01 18 -1.7707568E-05 7.7097485E-06 2.8078661E-06 19 -5.9139085E-05 2.5750417E-05 9.3938178E-06 20 -2.0566274E-04 8.9751047E-05 3.2696586E-05 21 -6.6736652E-04 2.9161601E-04 1.0643045E-04 22 -1.9868082E-03 8.7262037E-04 3.1828042E-04 23 -5.1688800E-03 2.2915920E-03 8.3830164E-04 24 -1.1374012E-02 5.1606752E-03 1.8924819E-03 25 -1.9801131E-02 9.3508845E-03 3.4579029E-03 26 -2.4967834E-02 1.2495917E-02 4.6599085E-03 27 -1.9559428E-02 9.9418798E-03 3.7355682E-03 28 -7.1427323E-03 -6.7851395E-04 -7.1685692E-04 29 -8.3130786E-04 -1.0309886E-02 -5.0131788E-03 30 3.9679476E-06 -9.9263421E-03 -5.6802074E-03 31 2.0765527E-05 -2.7890827E-03 -1.7171887E-04 32 1.8560477E-05 -1.1881331E-04 4.8909291E-03 33 5.2428405E-06 -1.1513762E-05 3.2281838E-03 34 9.2800946E-06 2.8970707E-07 4.9883062E-04 2P+ 3P+ 4P+ -9.4331036E+01 -1.5325966E+01 -1.7495917E+00 ------------ ------------ ------------ 1 -1.5861553E-06 6.9422347E-07 2.5193092E-07 2 -1.3015263E-05 5.6966338E-06 2.0740646E-06 3 -1.0316586E-04 4.5229562E-05 1.6426373E-05 4 -6.8809494E-04 3.0201910E-04 1.0994648E-04 5 -3.8282995E-03 1.6878511E-03 6.1380342E-04 6 -1.7199503E-02 7.6530718E-03 2.7917211E-03 7 -6.1527718E-02 2.7992354E-02 1.0233413E-02 8 -1.6668234E-01 7.8885912E-02 2.9079973E-02 9 -3.1768216E-01 1.5926875E-01 5.9195710E-02 10 -3.7113236E-01 1.9204064E-01 7.2134938E-02 11 -2.0396032E-01 6.0047242E-03 -8.2206476E-03 12 -3.8507328E-02 -3.5441154E-01 -1.7111088E-01 13 -2.3657587E-03 -5.1802510E-01 -2.9428779E-01 14 -1.2175771E-04 -2.2385438E-01 -4.1708137E-02 15 -1.6437445E-06 -1.5910968E-02 4.9648660E-01 16 3.2088137E-05 -1.9199966E-03 5.2863542E-01 17 -2.1881052E-07 2.3962959E-04 1.4118376E-01 18 -3.9153964E-06 1.7119384E-06 6.2015847E-07 19 -2.2541337E-05 9.8439114E-06 3.5853086E-06 20 -1.1224660E-04 4.9088028E-05 1.7815130E-05 21 -4.5771191E-04 2.0033659E-04 7.2905511E-05 22 -1.5674467E-03 6.8913925E-04 2.5048372E-04 23 -4.4423751E-03 1.9713967E-03 7.1884015E-04 24 -1.0339834E-02 4.6925011E-03 1.7147656E-03 25 -1.8778289E-02 8.8679447E-03 3.2679263E-03 26 -2.4616007E-02 1.2318566E-02 4.5771556E-03 27 -2.0175472E-02 1.0425864E-02 3.9157045E-03 28 -7.8751861E-03 2.4094282E-04 -3.1200069E-04 29 -1.0604668E-03 -9.7364370E-03 -4.6993617E-03 30 -4.6379410E-05 -1.0122592E-02 -5.7490839E-03 31 -1.6266681E-06 -3.0740807E-03 -5.7320389E-04 32 -3.6607525E-08 -1.5038523E-04 4.6923542E-03 33 2.1156699E-07 -1.2162346E-05 3.3425515E-03 34 -3.3137446E-09 9.8236117E-07 5.7536387E-04 3D- 4D- -9.2587196E+00 -3.0132668E-01 ------------ ------------ 1 3.2427621E-04 -8.4965814E-05 2 1.8816851E-03 -4.9239507E-04 3 1.1125004E-02 -2.9290453E-03 4 4.5534512E-02 -1.2037293E-02 5 1.3639953E-01 -3.6584370E-02 6 2.7550040E-01 -7.3509416E-02 7 3.6749016E-01 -9.3708193E-02 8 2.9943076E-01 -5.3092274E-02 9 1.0762782E-01 1.1580311E-01 10 1.2005889E-02 3.1543550E-01 11 6.9623533E-04 3.9712279E-01 12 1.9368550E-04 3.1647810E-01 13 7.9925368E-05 1.2528872E-01 14 9.1225725E-05 -2.3916548E-05 15 3.8268926E-04 -1.0012716E-04 16 1.4808793E-03 -3.8991445E-04 17 4.0567674E-03 -1.0724141E-03 18 8.2702858E-03 -2.2182980E-03 19 1.1584824E-02 -3.0914007E-03 20 1.0832990E-02 -2.7627317E-03 21 6.2041761E-03 -1.1004512E-03 22 1.5550677E-03 1.6758926E-03 23 1.1827658E-04 3.1352302E-03 24 4.0931356E-06 2.6411131E-03 25 6.8673217E-07 1.3586709E-03 26 1.3257365E-07 3.3169646E-04 3D+ 4D+ -9.1326894E+00 -2.9386002E-01 ------------ ------------ 1 2.3080529E-04 6.0071371E-05 2 1.6567839E-03 4.3038915E-04 3 1.0366407E-02 2.7095580E-03 4 4.3910731E-02 1.1523851E-02 5 1.3356219E-01 3.5562424E-02 6 2.7252850E-01 7.2248615E-02 7 3.6719511E-01 9.3170010E-02 8 3.0316429E-01 5.4819662E-02 9 1.1087353E-01 -1.1065884E-01 10 1.2622521E-02 -3.1000901E-01 11 7.2467171E-04 -3.9658790E-01 12 2.0264522E-04 -3.2174640E-01 13 8.5439036E-05 -1.3245468E-01 14 8.1076559E-05 2.1097363E-05 15 3.5693809E-04 9.2692739E-05 16 1.4166450E-03 3.7018860E-04 17 3.9476085E-03 1.0357599E-03 18 8.1338183E-03 2.1652871E-03 19 1.1484252E-02 3.0440440E-03 20 1.0838597E-02 2.7497709E-03 21 6.2879559E-03 1.1370605E-03 22 1.6051821E-03 -1.6014959E-03 23 1.2551657E-04 -3.0815028E-03 24 4.8118587E-06 -2.6376584E-03 25 8.7335167E-07 -1.3813377E-03 26 2.2518775E-07 -3.5068830E-04 ******************** TECHNETIUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1662857499E+09 0.1000000000E+01 0.1000000000E+01 2 0.3749132868E+08 0.1000000000E+01 0.1000000000E+01 3 0.9381492149E+07 0.1000000000E+01 0.1000000000E+01 4 0.2585865339E+07 0.1000000000E+01 0.1000000000E+01 5 0.7792205499E+06 0.1000000000E+01 0.1000000000E+01 6 0.2547786347E+06 0.1000000000E+01 0.1000000000E+01 7 0.8971009981E+05 0.1000000000E+01 0.1000000000E+01 8 0.3376159906E+05 0.1000000000E+01 0.1000000000E+01 9 0.1347831555E+05 0.1000000000E+01 0.1000000000E+01 10 0.5665089613E+04 0.1000000000E+01 0.1000000000E+01 11 0.2488078682E+04 0.1000000000E+01 0.1000000000E+01 12 0.1133274735E+04 0.1000000000E+01 0.1000000000E+01 13 0.5313096253E+03 0.1000000000E+01 0.1000000000E+01 14 0.2544656405E+03 0.1000000000E+01 0.1000000000E+01 15 0.1235683403E+03 0.1000000000E+01 0.1000000000E+01 16 0.6038227683E+02 0.1000000000E+01 0.1000000000E+01 17 0.2946887609E+02 0.1000000000E+01 0.1000000000E+01 18 0.1425598028E+02 0.1000000000E+01 0.1000000000E+01 19 0.6784809115E+01 0.1000000000E+01 0.1000000000E+01 20 0.3152919084E+01 0.1000000000E+01 0.1000000000E+01 21 0.1419875514E+01 0.1000000000E+01 0.1000000000E+01 22 0.6150034839E+00 0.1000000000E+01 0.1000000000E+01 23 0.2542859433E+00 0.1000000000E+01 0.1000000000E+01 24 0.9961212644E-01 0.1000000000E+01 0.1000000000E+01 25 0.3669228500E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.6977697206E+06 0.1000000000E+01 0.1000000000E+01 2 0.1458916437E+06 0.1000000000E+01 0.1000000000E+01 3 0.3601998107E+05 0.1000000000E+01 0.1000000000E+01 4 0.1032278381E+05 0.1000000000E+01 0.1000000000E+01 5 0.3375483548E+04 0.1000000000E+01 0.1000000000E+01 6 0.1237959665E+04 0.1000000000E+01 0.1000000000E+01 7 0.5005573612E+03 0.1000000000E+01 0.1000000000E+01 8 0.2193429057E+03 0.1000000000E+01 0.1000000000E+01 9 0.1023908711E+03 0.1000000000E+01 0.1000000000E+01 10 0.5005094847E+02 0.1000000000E+01 0.1000000000E+01 11 0.2518386242E+02 0.1000000000E+01 0.1000000000E+01 12 0.1282144105E+02 0.1000000000E+01 0.1000000000E+01 13 0.6492341272E+01 0.1000000000E+01 0.1000000000E+01 14 0.3214114644E+01 0.1000000000E+01 0.1000000000E+01 15 0.1529193460E+01 0.1000000000E+01 0.1000000000E+01 16 0.6873058958E+00 0.1000000000E+01 0.1000000000E+01 17 0.2868598712E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.6977697206E+06 0.1000000000E+01 0.1000000000E+01 2 0.1458916437E+06 0.1000000000E+01 0.1000000000E+01 3 0.3601998107E+05 0.1000000000E+01 0.1000000000E+01 4 0.1032278381E+05 0.1000000000E+01 0.1000000000E+01 5 0.3375483548E+04 0.1000000000E+01 0.1000000000E+01 6 0.1237959665E+04 0.1000000000E+01 0.1000000000E+01 7 0.5005573612E+03 0.1000000000E+01 0.1000000000E+01 8 0.2193429057E+03 0.1000000000E+01 0.1000000000E+01 9 0.1023908711E+03 0.1000000000E+01 0.1000000000E+01 10 0.5005094847E+02 0.1000000000E+01 0.1000000000E+01 11 0.2518386242E+02 0.1000000000E+01 0.1000000000E+01 12 0.1282144105E+02 0.1000000000E+01 0.1000000000E+01 13 0.6492341272E+01 0.1000000000E+01 0.1000000000E+01 14 0.3214114644E+01 0.1000000000E+01 0.1000000000E+01 15 0.1529193460E+01 0.1000000000E+01 0.1000000000E+01 16 0.6873058958E+00 0.1000000000E+01 0.1000000000E+01 17 0.2868598712E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.1829435397E+04 0.1000000000E+01 0.1000000000E+01 2 0.6377687147E+03 0.1000000000E+01 0.1000000000E+01 3 0.2483872236E+03 0.1000000000E+01 0.1000000000E+01 4 0.1059162483E+03 0.1000000000E+01 0.1000000000E+01 5 0.4846303461E+02 0.1000000000E+01 0.1000000000E+01 6 0.2331957801E+02 0.1000000000E+01 0.1000000000E+01 7 0.1156485581E+02 0.1000000000E+01 0.1000000000E+01 8 0.5793174308E+01 0.1000000000E+01 0.1000000000E+01 9 0.2872745775E+01 0.1000000000E+01 0.1000000000E+01 10 0.1382067976E+01 0.1000000000E+01 0.1000000000E+01 11 0.6322089082E+00 0.1000000000E+01 0.1000000000E+01 12 0.2694872367E+00 0.1000000000E+01 0.1000000000E+01 13 0.1049082303E+00 0.1000000000E+01 0.1000000000E+01 D+ 1 0.1829435397E+04 0.1000000000E+01 0.1000000000E+01 2 0.6377687147E+03 0.1000000000E+01 0.1000000000E+01 3 0.2483872236E+03 0.1000000000E+01 0.1000000000E+01 4 0.1059162483E+03 0.1000000000E+01 0.1000000000E+01 5 0.4846303461E+02 0.1000000000E+01 0.1000000000E+01 6 0.2331957801E+02 0.1000000000E+01 0.1000000000E+01 7 0.1156485581E+02 0.1000000000E+01 0.1000000000E+01 8 0.5793174308E+01 0.1000000000E+01 0.1000000000E+01 9 0.2872745775E+01 0.1000000000E+01 0.1000000000E+01 10 0.1382067976E+01 0.1000000000E+01 0.1000000000E+01 11 0.6322089082E+00 0.1000000000E+01 0.1000000000E+01 12 0.2694872367E+00 0.1000000000E+01 0.1000000000E+01 13 0.1049082303E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 5 3 3 1 1 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+ 5S+ -7.7817959E+02 -1.1387762E+02 -2.1085392E+01 -3.3219489E+00 -2.4530423E-01 ------------ ------------ ------------ ------------ ------------ 1 -3.3460132E-06 -1.1174962E-06 -4.7547895E-07 -1.9053141E-07 5.0591823E-08 2 -2.1983708E-05 -7.3481956E-06 -3.1262101E-06 -1.2517214E-06 3.3220845E-07 3 -6.0509299E-05 -2.0272551E-05 -8.6293093E-06 -3.4580206E-06 9.1819666E-07 4 -1.6774093E-04 -5.6333857E-05 -2.3980602E-05 -9.6006911E-06 2.5477362E-06 5 -4.4088413E-04 -1.4871691E-04 -6.3368108E-05 -2.5406440E-05 6.7476323E-06 6 -1.1699049E-03 -3.9612773E-04 -1.6879149E-04 -6.7556612E-05 1.7922786E-05 7 -3.0868985E-03 -1.0517225E-03 -4.4882658E-04 -1.8010909E-04 4.7854649E-05 8 -8.0647853E-03 -2.7631203E-03 -1.1790300E-03 -4.7166765E-04 1.2508147E-04 9 -2.0482090E-02 -7.1082759E-03 -3.0419996E-03 -1.2223956E-03 3.2498600E-04 10 -4.9495108E-02 -1.7522417E-02 -7.5090230E-03 -3.0033307E-03 7.9605295E-04 11 -1.1017476E-01 -4.0898895E-02 -1.7676485E-02 -7.1247814E-03 1.8961525E-03 12 -2.1286318E-01 -8.6327584E-02 -3.7703831E-02 -1.5108267E-02 4.0026243E-03 13 -3.1964503E-01 -1.5590082E-01 -7.0229598E-02 -2.8605755E-02 7.6349461E-03 14 -2.9703147E-01 -1.9286050E-01 -9.0648059E-02 -3.6555390E-02 9.6613835E-03 15 -1.1400018E-01 -4.1854700E-02 -2.0589856E-02 -9.5874117E-03 2.7260287E-03 16 -7.8363604E-03 4.0744428E-01 2.7465788E-01 1.2263029E-01 -3.3386843E-02 17 -1.0395945E-03 5.7533433E-01 5.5293276E-01 2.5321985E-01 -6.8047084E-02 18 5.5771959E-04 1.7530792E-01 6.4951338E-02 4.2122820E-02 -1.3543233E-02 19 -2.5712801E-04 6.9887219E-03 -8.1933542E-01 -6.1085634E-01 1.8311114E-01 20 1.7277174E-04 1.0297007E-03 -4.6294076E-01 -5.7084572E-01 1.7596466E-01 21 -9.4867077E-05 -3.6109425E-04 -1.6161718E-03 7.1716923E-01 -2.7368712E-01 22 4.5396409E-05 3.7602610E-05 -1.1781303E-02 7.0471407E-01 -4.1168591E-01 23 -2.1702631E-05 -3.2158270E-05 4.9018947E-03 5.4608265E-02 -3.2611681E-02 24 8.6748877E-06 1.0589616E-05 -2.0397434E-03 3.5746461E-03 6.6725021E-01 25 -2.2798331E-06 -2.6730752E-06 5.4099978E-04 -1.1139791E-03 5.2339647E-01 26 -3.7485976E-06 -1.2537504E-06 -5.3439604E-07 -2.1537330E-07 5.7382776E-08 27 -5.7467416E-05 -1.9162450E-05 -8.1473631E-06 -3.2584754E-06 8.6424034E-07 28 -1.6764490E-04 -5.5965123E-05 -2.3816540E-05 -9.5517281E-06 2.5375670E-06 29 -4.1289556E-04 -1.3771683E-04 -5.8555745E-05 -2.3419120E-05 6.2114292E-06 30 -9.2514651E-04 -3.0904020E-04 -1.3153395E-04 -5.2763397E-05 1.4019090E-05 31 -1.9411309E-03 -6.4816394E-04 -2.7561161E-04 -1.1019805E-04 2.9222314E-05 32 -3.8494080E-03 -1.2896800E-03 -5.4920542E-04 -2.2041725E-04 5.8579637E-05 33 -7.2420853E-03 -2.4331105E-03 -1.0353455E-03 -4.1380365E-04 1.0969927E-04 34 -1.2930433E-02 -4.3956435E-03 -1.8760674E-03 -7.5373887E-04 2.0041223E-04 35 -2.1695357E-02 -7.5189486E-03 -3.2128161E-03 -1.2840211E-03 3.4026012E-04 36 -3.3426071E-02 -1.2154975E-02 -5.2393947E-03 -2.1111217E-03 5.6185597E-04 37 -4.4760152E-02 -1.7798379E-02 -7.7537538E-03 -3.1052157E-03 8.2254606E-04 38 -4.6764286E-02 -2.2397025E-02 -1.0067520E-02 -4.0993125E-03 1.0940917E-03 39 -3.0343581E-02 -1.9394494E-02 -9.1024776E-03 -3.6697827E-03 9.6986119E-04 40 -8.1508980E-03 -3.0279032E-03 -1.5008361E-03 -6.9657745E-04 1.9765933E-04 41 -3.9185147E-04 1.9972477E-02 1.3425016E-02 5.9915424E-03 -1.6311820E-03 42 -3.6312230E-05 1.9771904E-02 1.8960724E-02 8.6809612E-03 -2.3327242E-03 43 1.3609281E-05 4.1936307E-03 1.5614302E-03 1.0122459E-03 -3.2516236E-04 44 -4.3538227E-06 1.1541211E-04 -1.3488044E-02 -1.0051534E-02 3.0128769E-03 45 1.9907827E-06 1.1492823E-05 -5.1974761E-03 -6.4067027E-03 1.9748926E-03 46 -7.3570667E-07 -2.6779679E-06 -1.2096803E-05 5.4004250E-03 -2.0607749E-03 47 2.3311118E-07 1.6287928E-07 -5.8453906E-05 3.4928220E-03 -2.0403401E-03 48 -7.2174764E-08 -9.1195835E-08 1.5646719E-05 1.7403394E-04 -1.0393718E-04 49 1.8314733E-08 1.6359398E-08 -4.0775421E-06 7.1326429E-06 1.3308843E-03 50 -3.0069968E-09 -1.8345987E-09 6.5727132E-07 -1.3492763E-06 6.3360124E-04 2P- 3P- 4P- -1.0464650E+02 -1.7483514E+01 -2.1610636E+00 ------------ ------------ ------------ 1 7.9467675E-05 -3.4833631E-05 -1.3056836E-05 2 1.7853599E-04 -7.8288455E-05 -2.9351136E-05 3 5.5878345E-04 -2.4525983E-04 -9.1936992E-05 4 1.6725013E-03 -7.3590765E-04 -2.7613011E-04 5 5.7605380E-03 -2.5470565E-03 -9.5568697E-04 6 2.0180273E-02 -9.0130355E-03 -3.3912707E-03 7 6.4535771E-02 -2.9441089E-02 -1.1103634E-02 8 1.6681459E-01 -7.9137533E-02 -3.0095449E-02 9 3.1302883E-01 -1.5692122E-01 -6.0159542E-02 10 3.6844111E-01 -1.9047333E-01 -7.3824951E-02 11 2.0820624E-01 -1.1675229E-02 6.2734109E-03 12 4.0593044E-02 3.4785860E-01 1.7505570E-01 13 2.5427378E-03 5.2032112E-01 3.0466702E-01 14 8.9212243E-05 2.2922406E-01 4.5059227E-02 15 1.8725922E-05 1.6185783E-02 -5.1618673E-01 16 -4.2305478E-05 1.9677247E-03 -5.2774795E-01 17 3.5900405E-06 -3.1058218E-04 -1.2308415E-01 18 1.6989213E-05 -7.4563274E-06 -2.7935392E-06 19 5.6593317E-05 -2.4861705E-05 -9.3309821E-06 20 1.9522616E-04 -8.5879263E-05 -3.2183864E-05 21 6.3145366E-04 -2.7835828E-04 -1.0452195E-04 22 1.8818758E-03 -8.3298130E-04 -3.1253383E-04 23 4.9304285E-03 -2.2031377E-03 -8.2911073E-04 24 1.0979050E-02 -5.0099964E-03 -1.8894874E-03 25 1.9532684E-02 -9.2705296E-03 -3.5258681E-03 26 2.5452957E-02 -1.2771091E-02 -4.8966149E-03 27 2.1074029E-02 -1.0916815E-02 -4.2329131E-03 28 8.4149854E-03 -4.6170754E-04 2.5985826E-04 29 1.1159956E-03 1.0165344E-02 5.1120921E-03 30 4.1592182E-06 1.0822094E-02 6.3344395E-03 31 -2.3568904E-05 3.3558857E-03 6.6150864E-04 32 -2.1245118E-05 1.6487956E-04 -5.2055863E-03 33 -5.9202028E-06 1.3719085E-05 -3.5691744E-03 34 -1.0731458E-05 -5.9282479E-07 -5.3677873E-04 2P+ 3P+ 4P+ -1.0027454E+02 -1.6725784E+01 -2.0465215E+00 ------------ ------------ ------------ 1 -1.3473870E-06 -5.9444131E-07 -2.2199529E-07 2 -1.1089169E-05 -4.9014215E-06 -1.8369524E-06 3 -8.8117610E-05 -3.8954011E-05 -1.4559441E-05 4 -5.9262273E-04 -2.6257831E-04 -9.8392520E-05 5 -3.3326393E-03 -1.4813844E-03 -5.5441701E-04 6 -1.5192688E-02 -6.8170592E-03 -2.5593876E-03 7 -5.5293038E-02 -2.5310528E-02 -9.5205783E-03 8 -1.5365695E-01 -7.3121319E-02 -2.7734971E-02 9 -3.0341101E-01 -1.5253031E-01 -5.8313754E-02 10 -3.7515956E-01 -1.9729940E-01 -7.6452883E-02 11 -2.2537259E-01 -3.5228346E-02 -4.3849311E-03 12 -4.8040079E-02 3.2449419E-01 1.6228368E-01 13 -3.0882653E-03 5.2848340E-01 3.0692963E-01 14 -1.3876772E-04 2.5212720E-01 7.5991352E-02 15 -3.4445829E-06 2.0699086E-02 -4.9217087E-01 16 3.9753559E-05 2.1180422E-03 -5.4677048E-01 17 -2.2070612E-06 -3.0972928E-04 -1.4260454E-01 18 -3.4034000E-06 -1.4986403E-06 -5.5851737E-07 19 -2.0033714E-05 -8.8385610E-06 -3.3141071E-06 20 -1.0126142E-04 -4.4641612E-05 -1.6672087E-05 21 -4.1899355E-04 -1.8511677E-04 -6.9342393E-05 22 -1.4533121E-03 -6.4408457E-04 -2.4091713E-04 23 -4.1795282E-03 -1.8700977E-03 -7.0179630E-04 24 -9.8889413E-03 -4.5146950E-03 -1.6974315E-03 25 -1.8406132E-02 -8.7386526E-03 -3.3133578E-03 26 -2.4979745E-02 -1.2533008E-02 -4.7899650E-03 27 -2.1662078E-02 -1.1375452E-02 -4.4072277E-03 28 -9.2444652E-03 -1.4524910E-03 -1.8476828E-04 29 -1.4063173E-03 9.4735273E-03 4.7362717E-03 30 -6.4443313E-05 1.0987240E-02 6.3792657E-03 31 -1.9601343E-06 3.6892696E-03 1.1122981E-03 32 -6.7904187E-08 2.0885445E-04 -4.9653611E-03 33 2.8255285E-07 1.4354804E-05 -3.6983840E-03 34 -1.3478648E-08 -1.3609490E-06 -6.2317367E-04 3D- 4D- -1.0398030E+01 -4.5964166E-01 ------------ ------------ 1 -2.5307753E-04 -7.3764679E-05 2 -1.4673277E-03 -4.2839459E-04 3 -8.7949340E-03 -2.5765972E-03 4 -3.7090338E-02 -1.0928444E-02 5 -1.1484409E-01 -3.4252275E-02 6 -2.4648359E-01 -7.3782526E-02 7 -3.5377505E-01 -1.0165475E-01 8 -3.2546668E-01 -7.6765360E-02 9 -1.4405068E-01 8.2728387E-02 10 -2.1285172E-02 3.0981099E-01 11 -1.1840462E-03 4.1988779E-01 12 -2.3282783E-04 3.2037086E-01 13 -8.7481629E-05 1.0582394E-01 14 -7.5123309E-05 -2.1899059E-05 15 -3.2324366E-04 -9.4372036E-05 16 -1.2765100E-03 -3.7397591E-04 17 -3.6182688E-03 -1.0661043E-03 18 -7.6535659E-03 -2.2827303E-03 19 -1.1447989E-02 -3.4272095E-03 20 -1.1591860E-02 -3.3313146E-03 21 -7.5542141E-03 -1.7822989E-03 22 -2.3532061E-03 1.3531828E-03 23 -2.4006974E-04 3.5154606E-03 24 -8.3378768E-06 3.2227101E-03 25 -9.4897733E-07 1.6054137E-03 26 -1.5452536E-07 3.3085220E-04 3D+ 4D+ -1.0254229E+01 -4.4917895E-01 ------------ ------------ 1 -1.7037593E-04 4.9399409E-05 2 -1.2645033E-03 3.6729408E-04 3 -8.1046846E-03 2.3617815E-03 4 -3.5564493E-02 1.0423950E-02 5 -1.1209460E-01 3.3253920E-02 6 -2.4328147E-01 7.2489306E-02 7 -3.5270881E-01 1.0101988E-01 8 -3.2870714E-01 7.8268954E-02 9 -1.4793491E-01 -7.7711621E-02 10 -2.2339753E-02 -3.0406170E-01 11 -1.2325576E-03 -4.1938561E-01 12 -2.4884998E-04 -3.2613459E-01 13 -9.2019739E-05 -1.1166245E-01 14 -6.5776220E-05 1.9064681E-05 15 -2.9894514E-04 8.6804743E-05 16 -1.2143337E-03 3.5376207E-04 17 -3.5081974E-03 1.0279836E-03 18 -7.5095509E-03 2.2272589E-03 19 -1.1328135E-02 3.3747560E-03 20 -1.1574674E-02 3.3146233E-03 21 -7.6377853E-03 1.8185688E-03 22 -2.4209583E-03 -1.2710708E-03 23 -2.5359442E-04 -3.4505120E-03 24 -9.4579767E-06 -3.2190152E-03 25 -1.2486542E-06 -1.6343751E-03 26 -2.8724121E-07 -3.4913994E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -7.7817970E+02 -1.1387763E+02 -2.1085394E+01 -3.3219492E+00 -2.4530422E-01 ------------ ------------ ------------ ------------ ------------ 1 3.9057043E-06 1.3044375E-06 -5.5501313E-07 -2.2239078E-07 -5.9049676E-08 2 2.1463613E-05 7.1744799E-06 -3.0523031E-06 -1.2221168E-06 -3.2434931E-07 3 6.1000330E-05 2.0436601E-05 -8.6991063E-06 -3.4859793E-06 -9.2561901E-07 4 1.6727524E-04 5.6178283E-05 -2.3914411E-05 -9.5741769E-06 -2.5406976E-06 5 4.4137487E-04 1.4888093E-04 -6.3437897E-05 -2.5434396E-05 -6.7550544E-06 6 1.1693931E-03 3.9595663E-04 -1.6871869E-04 -6.7527449E-05 -1.7915045E-05 7 3.0874787E-03 1.0519168E-03 -4.4890925E-04 -1.8014220E-04 -4.7863445E-05 8 8.0641503E-03 2.7629073E-03 -1.1789393E-03 -4.7163131E-04 -1.2507183E-04 9 2.0482841E-02 7.1085294E-03 -3.0421075E-03 -1.2224389E-03 -3.2499752E-04 10 4.9494289E-02 1.7522138E-02 -7.5089040E-03 -3.0032830E-03 -7.9604035E-04 11 1.1017573E-01 4.0899231E-02 -1.7676629E-02 -7.1248393E-03 -1.8961680E-03 12 2.1286219E-01 8.6327229E-02 -3.7703677E-02 -1.5108206E-02 -4.0026084E-03 13 3.1964609E-01 1.5590122E-01 -7.0229772E-02 -2.8605826E-02 -7.6349655E-03 14 2.9703041E-01 1.9286007E-01 -9.0647865E-02 -3.6555311E-02 -9.6613638E-03 15 1.1400104E-01 4.1855027E-02 -2.0590001E-02 -9.5874706E-03 -2.7260441E-03 16 7.8356210E-03 -4.0744471E-01 2.7465811E-01 1.2263039E-01 3.3386872E-02 17 1.0401369E-03 -5.7533398E-01 5.5293258E-01 2.5321978E-01 6.8047075E-02 18 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-1.4673277E-03 -4.2839457E-04 3 -8.7949339E-03 -2.5765971E-03 4 -3.7090337E-02 -1.0928444E-02 5 -1.1484409E-01 -3.4252274E-02 6 -2.4648359E-01 -7.3782524E-02 7 -3.5377505E-01 -1.0165475E-01 8 -3.2546668E-01 -7.6765360E-02 9 -1.4405068E-01 8.2728382E-02 10 -2.1285173E-02 3.0981098E-01 11 -1.1840460E-03 4.1988778E-01 12 -2.3282793E-04 3.2037086E-01 13 -8.7481656E-05 1.0582395E-01 14 -7.5123308E-05 -2.1899058E-05 15 -3.2324365E-04 -9.4372034E-05 16 -1.2765100E-03 -3.7397590E-04 17 -3.6182687E-03 -1.0661042E-03 18 -7.6535658E-03 -2.2827303E-03 19 -1.1447989E-02 -3.4272094E-03 20 -1.1591860E-02 -3.3313146E-03 21 -7.5542141E-03 -1.7822989E-03 22 -2.3532062E-03 1.3531827E-03 23 -2.4006975E-04 3.5154606E-03 24 -8.3378759E-06 3.2227101E-03 25 -9.4897785E-07 1.6054137E-03 26 -1.5452542E-07 3.3085224E-04 3D+ 4D+ -1.0254228E+01 -4.4917891E-01 ------------ ------------ 1 -1.7037593E-04 4.9399407E-05 2 -1.2645033E-03 3.6729407E-04 3 -8.1046845E-03 2.3617814E-03 4 -3.5564492E-02 1.0423949E-02 5 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0.1000000000E+01 7 0.1031972721E+02 0.1000000000E+01 0.1000000000E+01 8 0.5116998495E+01 0.1000000000E+01 0.1000000000E+01 9 0.2510196726E+01 0.1000000000E+01 0.1000000000E+01 10 0.1193710444E+01 0.1000000000E+01 0.1000000000E+01 11 0.5391906608E+00 0.1000000000E+01 0.1000000000E+01 12 0.2266685308E+00 0.1000000000E+01 0.1000000000E+01 13 0.8689583609E-01 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 4 3 3 1 1 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+ 5S+ -7.7804596E+02 -1.1373577E+02 -2.0943372E+01 -3.1889831E+00 -2.1765744E-01 ------------ ------------ ------------ ------------ ------------ 1 3.9317621E-06 1.3131406E-06 5.5858007E-07 2.2248303E-07 -5.3604703E-08 2 2.2830667E-05 7.6318265E-06 3.2466093E-06 1.2916597E-06 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2.7667063E-04 -5.8946454E-04 29 -9.2321385E-04 1.0724311E-02 -5.3593165E-03 30 4.4253728E-06 1.0419667E-02 -6.1400942E-03 31 2.3725773E-05 2.8604251E-03 -9.3941084E-06 32 2.0221265E-05 1.1612449E-04 5.2162137E-03 33 5.6050816E-06 1.2546569E-05 3.2585137E-03 34 1.0312294E-05 -2.4865751E-07 4.9389449E-04 2P+ 3P+ 4P+ -1.0013420E+02 -1.6585282E+01 -1.9291696E+00 ------------ ------------ ------------ 1 1.5022697E-06 6.6330078E-07 -2.4560908E-07 2 1.1951580E-05 5.2784610E-06 -1.9627991E-06 3 9.3016398E-05 4.1142666E-05 -1.5248364E-05 4 6.1538645E-04 2.7253341E-04 -1.0131154E-04 5 3.4309040E-03 1.5257389E-03 -5.6628184E-04 6 1.5593970E-02 6.9958021E-03 -2.6055407E-03 7 5.6873865E-02 2.6057947E-02 -9.7214948E-03 8 1.5837684E-01 7.5421814E-02 -2.8383507E-02 9 3.1182106E-01 1.5722037E-01 -5.9632598E-02 10 3.7755431E-01 1.9775788E-01 -7.5974348E-02 11 2.1497226E-01 1.8028974E-02 3.5328767E-03 12 4.1444825E-02 -3.5346586E-01 1.7536016E-01 13 2.5231217E-03 -5.2546720E-01 3.0746601E-01 14 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-3.4522299E-01 ------------ ------------ 1 2.8097494E-04 7.8034483E-05 2 1.6884616E-03 4.6828250E-04 3 1.0263331E-02 2.8643317E-03 4 4.3235309E-02 1.2116515E-02 5 1.3204552E-01 3.7560512E-02 6 2.7148202E-01 7.6961917E-02 7 3.6747943E-01 9.9644411E-02 8 3.0375735E-01 5.7824743E-02 9 1.1095759E-01 -1.2014960E-01 10 1.2781884E-02 -3.2483763E-01 11 7.9379635E-04 -3.9780248E-01 12 2.4751176E-04 -3.0549670E-01 13 9.3106594E-05 -1.1626580E-01 14 8.2478479E-05 2.2922184E-05 15 3.6209288E-04 1.0040824E-04 16 1.4400815E-03 4.0192736E-04 17 4.0489495E-03 1.1346864E-03 18 8.4008484E-03 2.3897227E-03 19 1.1974113E-02 3.3948987E-03 20 1.1376436E-02 3.0852575E-03 21 6.6263392E-03 1.2619038E-03 22 1.6937933E-03 -1.8371542E-03 23 1.3353771E-04 -3.4256773E-03 24 5.0001582E-06 -2.8196740E-03 25 9.5922763E-07 -1.4040051E-03 26 1.6997254E-07 -3.3083095E-04 3D+ 4D+ -1.0115352E+01 -3.3517143E-01 ------------ ------------ 1 -1.9234301E-04 5.3043043E-05 2 -1.4639448E-03 4.0286781E-04 3 -9.5012253E-03 2.6312087E-03 4 -4.1558754E-02 1.1556796E-02 5 -1.2909594E-01 3.6436369E-02 6 -2.6832652E-01 7.5544322E-02 7 -3.6706848E-01 9.9003434E-02 8 -3.0760143E-01 5.9692892E-02 9 -1.1439244E-01 -1.1453795E-01 10 -1.3453778E-02 -3.1901713E-01 11 -8.2636581E-04 -3.9740777E-01 12 -2.5882750E-04 -3.1134794E-01 13 -1.0054672E-04 -1.2392040E-01 14 -7.2478974E-05 1.9983323E-05 15 -3.3559129E-04 9.2318579E-05 16 -1.3726517E-03 3.8002688E-04 17 -3.9315970E-03 1.0930244E-03 18 -8.2525130E-03 2.3286876E-03 19 -1.1862610E-02 3.3391841E-03 20 -1.1379896E-02 3.0688768E-03 21 -6.7176562E-03 1.3036727E-03 22 -1.7499259E-03 -1.7514280E-03 23 -1.4194666E-04 -3.3645539E-03 24 -5.8503699E-06 -2.8170067E-03 25 -1.1927581E-06 -1.4309564E-03 26 -2.8515500E-07 -3.5263789E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -7.7804606E+02 -1.1373578E+02 -2.0943374E+01 -3.1889835E+00 -2.1765746E-01 ------------ ------------ ------------ ------------ ------------ 1 4.4789237E-06 -1.4958987E-06 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-1.4860929E-04 -5.0118618E-03 33 -3.1765372E-07 -1.3474658E-05 -3.3878633E-03 34 1.4259151E-08 1.0225588E-06 -5.7499256E-04 3D- 4D- -1.0259277E+01 -3.4522298E-01 ------------ ------------ 1 2.8097493E-04 7.8034481E-05 2 1.6884616E-03 4.6828249E-04 3 1.0263331E-02 2.8643317E-03 4 4.3235308E-02 1.2116515E-02 5 1.3204551E-01 3.7560511E-02 6 2.7148202E-01 7.6961916E-02 7 3.6747943E-01 9.9644410E-02 8 3.0375735E-01 5.7824744E-02 9 1.1095759E-01 -1.2014959E-01 10 1.2781885E-02 -3.2483763E-01 11 7.9379631E-04 -3.9780248E-01 12 2.4751179E-04 -3.0549671E-01 13 9.3106609E-05 -1.1626581E-01 14 8.2478477E-05 2.2922183E-05 15 3.6209288E-04 1.0040824E-04 16 1.4400814E-03 4.0192735E-04 17 4.0489495E-03 1.1346864E-03 18 8.4008483E-03 2.3897226E-03 19 1.1974113E-02 3.3948986E-03 20 1.1376436E-02 3.0852575E-03 21 6.6263392E-03 1.2619038E-03 22 1.6937934E-03 -1.8371541E-03 23 1.3353772E-04 -3.4256772E-03 24 5.0001579E-06 -2.8196740E-03 25 9.5922776E-07 -1.4040052E-03 26 1.6997259E-07 -3.3083099E-04 3D+ 4D+ -1.0115352E+01 -3.3517141E-01 ------------ ------------ 1 -1.9234301E-04 5.3043042E-05 2 -1.4639447E-03 4.0286780E-04 3 -9.5012252E-03 2.6312087E-03 4 -4.1558754E-02 1.1556796E-02 5 -1.2909594E-01 3.6436368E-02 6 -2.6832652E-01 7.5544320E-02 7 -3.6706848E-01 9.9003433E-02 8 -3.0760144E-01 5.9692893E-02 9 -1.1439245E-01 -1.1453795E-01 10 -1.3453778E-02 -3.1901712E-01 11 -8.2636574E-04 -3.9740776E-01 12 -2.5882755E-04 -3.1134795E-01 13 -1.0054671E-04 -1.2392041E-01 14 -7.2478973E-05 1.9983322E-05 15 -3.3559129E-04 9.2318576E-05 16 -1.3726517E-03 3.8002688E-04 17 -3.9315969E-03 1.0930244E-03 18 -8.2525129E-03 2.3286876E-03 19 -1.1862610E-02 3.3391841E-03 20 -1.1379896E-02 3.0688768E-03 21 -6.7176562E-03 1.3036727E-03 22 -1.7499259E-03 -1.7514279E-03 23 -1.4194667E-04 -3.3645538E-03 24 -5.8503694E-06 -2.8170067E-03 25 -1.1927583E-06 -1.4309564E-03 26 -2.8515495E-07 -3.5263792E-04 ******************** RUTHENIUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1623681020E+09 0.1000000000E+01 0.1000000000E+01 2 0.3676656664E+08 0.1000000000E+01 0.1000000000E+01 3 0.9237014505E+07 0.1000000000E+01 0.1000000000E+01 4 0.2555460890E+07 0.1000000000E+01 0.1000000000E+01 5 0.7726784359E+06 0.1000000000E+01 0.1000000000E+01 6 0.2534271629E+06 0.1000000000E+01 0.1000000000E+01 7 0.8948808704E+05 0.1000000000E+01 0.1000000000E+01 8 0.3376508571E+05 0.1000000000E+01 0.1000000000E+01 9 0.1351120036E+05 0.1000000000E+01 0.1000000000E+01 10 0.5690839459E+04 0.1000000000E+01 0.1000000000E+01 11 0.2504078461E+04 0.1000000000E+01 0.1000000000E+01 12 0.1142461585E+04 0.1000000000E+01 0.1000000000E+01 13 0.5364018055E+03 0.1000000000E+01 0.1000000000E+01 14 0.2572330005E+03 0.1000000000E+01 0.1000000000E+01 15 0.1250500416E+03 0.1000000000E+01 0.1000000000E+01 16 0.6116381669E+02 0.1000000000E+01 0.1000000000E+01 17 0.2987388966E+02 0.1000000000E+01 0.1000000000E+01 18 0.1446133213E+02 0.1000000000E+01 0.1000000000E+01 19 0.6886158878E+01 0.1000000000E+01 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0.2685630313E+03 0.1000000000E+01 0.1000000000E+01 4 0.1129677844E+03 0.1000000000E+01 0.1000000000E+01 5 0.5135047750E+02 0.1000000000E+01 0.1000000000E+01 6 0.2468716424E+02 0.1000000000E+01 0.1000000000E+01 7 0.1228542317E+02 0.1000000000E+01 0.1000000000E+01 8 0.6193791457E+01 0.1000000000E+01 0.1000000000E+01 9 0.3096178075E+01 0.1000000000E+01 0.1000000000E+01 10 0.1501943262E+01 0.1000000000E+01 0.1000000000E+01 11 0.6919818702E+00 0.1000000000E+01 0.1000000000E+01 12 0.2963499435E+00 0.1000000000E+01 0.1000000000E+01 13 0.1154620528E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 5 3 3 1 1 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+ 5S+ -8.1784822E+02 -1.2063380E+02 -2.2636139E+01 -3.5967171E+00 -2.5344552E-01 ------------ ------------ ------------ ------------ ------------ 1 -3.7283036E-06 -1.2501190E-06 5.3518594E-07 2.1752017E-07 -5.7050568E-08 2 -2.4364265E-05 -8.1768827E-06 3.5005953E-06 1.4213526E-06 -3.7262316E-07 3 -6.6665806E-05 -2.2426514E-05 9.6052362E-06 3.9040657E-06 -1.0239379E-06 4 -1.8377444E-04 -6.1979809E-05 2.6551103E-05 1.0778869E-05 -2.8255026E-06 5 -4.7969074E-04 -1.6250837E-04 6.9672898E-05 2.8335912E-05 -7.4333919E-06 6 -1.2639101E-03 -4.2993158E-04 1.8437759E-04 7.4820888E-05 -1.9608398E-05 7 -3.3107699E-03 -1.1333797E-03 4.8666148E-04 1.9813747E-04 -5.1998060E-05 8 -8.5896419E-03 -2.9583560E-03 1.2707242E-03 5.1531877E-04 -1.3499872E-04 9 -2.1667477E-02 -7.5616958E-03 3.2561082E-03 1.3278830E-03 -3.4868495E-04 10 -5.1987481E-02 -1.8527630E-02 7.9954428E-03 3.2409061E-03 -8.4863853E-04 11 -1.1473970E-01 -4.2938797E-02 1.8678533E-02 7.6443617E-03 -2.0093540E-03 12 -2.1902202E-01 -8.9852682E-02 3.9561124E-02 1.6060680E-02 -4.2038839E-03 13 -3.2251708E-01 -1.5986554E-01 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-1.4146667E-05 2 1.9003197E-04 -8.3986246E-05 -3.2052844E-05 3 5.9274258E-04 -2.6225360E-04 -1.0007951E-04 4 1.7663745E-03 -7.8332652E-04 -2.9919664E-04 5 6.0422925E-03 -2.6940129E-03 -1.0291651E-03 6 2.1050431E-02 -9.4789134E-03 -3.6309143E-03 7 6.6974390E-02 -3.0838439E-02 -1.1845018E-02 8 1.7172923E-01 -8.2235285E-02 -3.1850983E-02 9 3.1815903E-01 -1.6127586E-01 -6.3019074E-02 10 3.6617544E-01 -1.8978718E-01 -7.4817109E-02 11 2.0020554E-01 -5.9174644E-05 1.2052943E-02 12 3.7494126E-02 3.6352400E-01 1.8793721E-01 13 2.2362489E-03 5.1699554E-01 3.1305775E-01 14 7.2125732E-05 2.1247841E-01 1.4560796E-02 15 -1.6124505E-06 1.3861276E-02 -5.3904266E-01 16 -3.9189032E-05 1.8599329E-03 -5.0482181E-01 17 1.6584771E-06 -2.6137026E-04 -1.0972280E-01 18 1.8177704E-05 -8.0435879E-06 -3.0681844E-06 19 6.0465649E-05 -2.6765323E-05 -1.0224605E-05 20 2.0770674E-04 -9.2135391E-05 -3.5155522E-05 21 6.6962244E-04 -2.9748880E-04 -1.1370532E-04 22 1.9910760E-03 -8.8884700E-04 -3.3956096E-04 23 5.2035018E-03 -2.3442664E-03 -8.9813624E-04 24 1.1543769E-02 -5.3170551E-03 -2.0422755E-03 25 2.0383018E-02 -9.7653826E-03 -3.7826787E-03 26 2.6233327E-02 -1.3310881E-02 -5.2018837E-03 27 2.1247519E-02 -1.1036980E-02 -4.3529308E-03 28 8.2091648E-03 1.3736354E-05 5.0383490E-04 29 1.0396531E-03 1.0802741E-02 5.5808971E-03 30 -4.5846001E-06 1.0952197E-02 6.6294428E-03 31 -2.5225173E-05 3.1744889E-03 2.2010874E-04 32 -2.3108185E-05 1.4466899E-04 -5.5590423E-03 33 -6.1358472E-06 1.3316060E-05 -3.4999214E-03 34 -1.1665468E-05 -3.6088855E-07 -4.9164270E-04 2P+ 3P+ 4P+ -1.0626109E+02 -1.8034802E+01 -2.2396734E+00 ------------ ------------ ------------ 1 1.3806147E-06 6.1469515E-07 -2.3371868E-07 2 1.1377296E-05 5.0681777E-06 -1.9330677E-06 3 9.0528619E-05 4.0382961E-05 -1.5366295E-05 4 6.1022921E-04 2.7259411E-04 -1.0396478E-04 5 3.4405471E-03 1.5431985E-03 -5.8798319E-04 6 1.5702720E-02 7.1065051E-03 -2.7159268E-03 7 5.7096563E-02 2.6391457E-02 -1.0108734E-02 8 1.5782655E-01 7.5838226E-02 -2.9293876E-02 9 3.0842622E-01 1.5686713E-01 -6.1116097E-02 10 3.7390168E-01 1.9771124E-01 -7.7972905E-02 11 2.1812638E-01 2.5439332E-02 2.9226068E-04 12 4.4883092E-02 -3.3969201E-01 1.7435159E-01 13 2.7411395E-03 -5.2733538E-01 3.1702311E-01 14 1.1733502E-04 -2.3587414E-01 4.8701061E-02 15 -1.6928799E-05 -1.7981562E-02 -5.1612009E-01 16 -3.7310672E-05 -2.0466647E-03 -5.2641175E-01 17 3.1471324E-07 2.6766181E-04 -1.2872205E-01 18 3.4774295E-06 1.5464084E-06 -5.8685635E-07 19 2.0656052E-05 9.1807374E-06 -3.5030257E-06 20 1.0514326E-04 4.6774719E-05 -1.7784409E-05 21 4.3724023E-04 1.9472201E-04 -7.4236073E-05 22 1.5220638E-03 6.8057603E-04 -2.5915644E-04 23 4.3827088E-03 1.9775529E-03 -7.5540812E-04 24 1.0358587E-02 4.7746777E-03 -1.8279547E-03 25 1.9176100E-02 9.1918961E-03 -3.5491307E-03 26 2.5760191E-02 1.3074661E-02 -5.0922164E-03 27 2.1912978E-02 1.1569413E-02 -4.5619691E-03 28 9.0888976E-03 1.0692335E-03 6.1334008E-06 29 1.3363028E-03 -1.0085019E-02 5.1744285E-03 30 5.8267644E-05 -1.1166412E-02 6.7109634E-03 31 1.6853118E-06 -3.5220114E-03 7.2780833E-04 32 -1.4351245E-07 -1.8553419E-04 -5.3248512E-03 33 -2.7163826E-07 -1.4221823E-05 -3.6502121E-03 34 5.0251771E-09 1.2101635E-06 -5.7821209E-04 3D- 4D- -1.1446812E+01 -5.1444817E-01 ------------ ------------ 1 2.2941587E-04 6.9755623E-05 2 1.4069558E-03 4.2814481E-04 3 8.6889010E-03 2.6555720E-03 4 3.7475075E-02 1.1516205E-02 5 1.1668807E-01 3.6336762E-02 6 2.4915753E-01 7.7829020E-02 7 3.5468922E-01 1.0636406E-01 8 3.2213808E-01 7.7434673E-02 9 1.3966928E-01 -9.2613938E-02 10 2.0442342E-02 -3.2101675E-01 11 1.1953121E-03 -4.1866984E-01 12 2.9545120E-04 -3.0821180E-01 13 9.2398050E-05 -9.6415041E-02 14 7.0481833E-05 2.1437627E-05 15 3.2209151E-04 9.8009649E-05 16 1.3070586E-03 3.9948455E-04 17 3.7705373E-03 1.1586972E-03 18 8.0011085E-03 2.4916192E-03 19 1.1903955E-02 3.7188528E-03 20 1.1977182E-02 3.5922870E-03 21 7.7305382E-03 1.8588956E-03 22 2.3683672E-03 -1.5726151E-03 23 2.4015164E-04 -3.7972608E-03 24 8.7576599E-06 -3.3618113E-03 25 1.2981229E-06 -1.6196233E-03 26 1.6749655E-07 -3.1622763E-04 3D+ 4D+ -1.1283333E+01 -5.0106228E-01 ------------ ------------ 1 1.4894081E-04 4.5038806E-05 2 1.1948489E-03 3.6154703E-04 3 7.9658882E-03 2.4205796E-03 4 3.5843638E-02 1.0951740E-02 5 1.1376906E-01 3.5222056E-02 6 2.4580521E-01 7.6397169E-02 7 3.5367325E-01 1.0568604E-01 8 3.2559329E-01 7.9156276E-02 9 1.4365118E-01 -8.7096550E-02 10 2.1494525E-02 -3.1499130E-01 11 1.2461298E-03 -4.1840524E-01 12 3.1340625E-04 -3.1459767E-01 13 9.8632897E-05 -1.0251584E-01 14 6.1037576E-05 1.8451001E-05 15 2.9612040E-04 8.9568895E-05 16 1.2396493E-03 3.7656638E-04 17 3.6497158E-03 1.1148175E-03 18 7.8439884E-03 2.4278168E-03 19 1.1775624E-02 3.6591541E-03 20 1.1962189E-02 3.5740024E-03 21 7.8227363E-03 1.9017596E-03 22 2.4406206E-03 -1.4789182E-03 23 2.5436775E-04 -3.7263309E-03 24 1.0003920E-05 -3.3598795E-03 25 1.6487070E-06 -1.6532713E-03 26 3.2303040E-07 -3.3627818E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -8.1784834E+02 -1.2063381E+02 -2.2636142E+01 -3.5967175E+00 -2.5344555E-01 ------------ ------------ ------------ ------------ ------------ 1 -4.3543243E-06 -1.4600504E-06 6.2505588E-07 -2.5403075E-07 6.6624628E-08 2 -2.3781212E-05 -7.9813611E-06 3.4168944E-06 -1.3873492E-06 3.6370671E-07 3 -6.7218178E-05 -2.2611797E-05 9.6845569E-06 -3.9362901E-06 1.0323880E-06 4 -1.8325023E-04 -6.1803987E-05 2.6475833E-05 -1.0748290E-05 2.8174843E-06 5 -4.8024448E-04 -1.6269419E-04 6.9752455E-05 -2.8368233E-05 7.4418679E-06 6 -1.2633323E-03 -4.2973766E-04 1.8429456E-04 -7.4787156E-05 1.9599554E-05 7 -3.3114262E-03 -1.1336003E-03 4.8675596E-04 -1.9817585E-04 5.2008130E-05 8 -8.5889238E-03 -2.9581140E-03 1.2706206E-03 -5.1527665E-04 1.3498769E-04 9 -2.1668328E-02 -7.5619842E-03 3.2562318E-03 -1.3279333E-03 3.4869815E-04 10 -5.1986555E-02 -1.8527313E-02 7.9953066E-03 -3.2408508E-03 8.4862408E-04 11 -1.1474079E-01 -4.2939181E-02 1.8678698E-02 -7.6444290E-03 2.0093717E-03 12 -2.1902090E-01 -8.9852278E-02 3.9560948E-02 -1.6060608E-02 4.2038655E-03 13 -3.2251827E-01 -1.5986600E-01 7.2579089E-02 -3.0058702E-02 7.9241881E-03 14 -2.8952539E-01 -1.9120835E-01 9.0877487E-02 -3.7047340E-02 9.6749362E-03 15 -1.0464519E-01 -2.3733358E-02 1.0654296E-02 -5.8848916E-03 1.7148447E-03 16 -6.3665683E-03 4.3266921E-01 -2.9844140E-01 1.3645877E-01 -3.6692523E-02 17 -9.4546434E-04 5.6169349E-01 -5.5689430E-01 2.5872445E-01 -6.8810267E-02 18 5.0998495E-04 1.5584757E-01 -7.9114347E-03 1.6477790E-02 -6.3990375E-03 19 -2.2390044E-04 5.9697187E-03 8.4690190E-01 -6.7657989E-01 2.0186031E-01 20 1.4900382E-04 4.9879601E-04 4.1289945E-01 -5.0002256E-01 1.5140137E-01 21 -8.2413940E-05 -1.2819401E-04 -2.6968779E-03 7.9883178E-01 -3.0759467E-01 22 3.9152145E-05 -7.8837298E-05 1.0877726E-02 6.3771517E-01 -3.8673044E-01 23 -1.8685551E-05 2.5822218E-05 -4.4435868E-03 3.7332635E-02 8.6236822E-03 24 7.4665289E-06 -1.2563018E-05 1.8295203E-03 4.0921277E-03 6.7707721E-01 25 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-4.7450844E-02 -2.3078213E-02 1.0453853E-02 -4.3280282E-03 1.1409384E-03 39 -2.9766774E-02 -1.9341675E-02 9.1791768E-03 -3.7410252E-03 9.7692942E-04 40 -7.5344252E-03 -1.7737898E-03 8.1553763E-04 -4.4298550E-04 1.2834983E-04 41 -3.2071483E-04 2.1351597E-02 -1.4684116E-02 6.7113128E-03 -1.8045390E-03 42 -3.3229008E-05 1.9439111E-02 -1.9229536E-02 8.9313736E-03 -2.3752906E-03 43 1.2508023E-05 3.7552984E-03 -2.0261059E-04 4.0422225E-04 -1.5609167E-04 44 -3.8047484E-06 9.9431819E-05 1.4046289E-02 -1.1216162E-02 3.3461762E-03 45 1.7208102E-06 5.5149376E-06 4.6714195E-03 -5.6551990E-03 1.7123755E-03 46 -6.3876120E-07 -9.0101846E-07 -2.0593225E-05 6.0624595E-03 -2.3342139E-03 47 1.9987075E-07 -4.3180910E-07 5.4417382E-05 3.1857766E-03 -1.9318292E-03 48 -6.1302416E-08 1.0073937E-07 -1.4305766E-05 1.1993465E-04 2.7688774E-05 49 1.5324137E-08 -3.2627207E-08 3.6901750E-06 8.2269955E-06 1.3613240E-03 50 -2.4403233E-09 6.3328150E-09 -5.9314565E-07 -1.4588635E-06 5.9799825E-04 2P- 3P- 4P- -1.1110001E+02 -1.8884907E+01 -2.3723434E+00 ------------ ------------ ------------ 1 8.3914782E-05 -3.7074716E-05 -1.4146825E-05 2 1.9003120E-04 -8.3985908E-05 -3.2052715E-05 3 5.9274325E-04 -2.6225389E-04 -1.0007963E-04 4 1.7663739E-03 -7.8332623E-04 -2.9919653E-04 5 6.0422931E-03 -2.6940131E-03 -1.0291652E-03 6 2.1050430E-02 -9.4789129E-03 -3.6309141E-03 7 6.6974390E-02 -3.0838439E-02 -1.1845018E-02 8 1.7172922E-01 -8.2235284E-02 -3.1850982E-02 9 3.1815903E-01 -1.6127586E-01 -6.3019074E-02 10 3.6617544E-01 -1.8978718E-01 -7.4817110E-02 11 2.0020554E-01 -5.9178543E-05 1.2052941E-02 12 3.7494126E-02 3.6352400E-01 1.8793721E-01 13 2.2362498E-03 5.1699554E-01 3.1305775E-01 14 7.2125137E-05 2.1247842E-01 1.4560802E-02 15 -1.6121300E-06 1.3861278E-02 -5.3904266E-01 16 -3.9189144E-05 1.8599329E-03 -5.0482181E-01 17 1.6585329E-06 -2.6137012E-04 -1.0972281E-01 18 1.8177667E-05 -8.0435718E-06 -3.0681783E-06 19 6.0465660E-05 -2.6765328E-05 -1.0224607E-05 20 2.0770674E-04 -9.2135389E-05 -3.5155521E-05 21 6.6962243E-04 -2.9748879E-04 -1.1370532E-04 22 1.9910760E-03 -8.8884699E-04 -3.3956096E-04 23 5.2035017E-03 -2.3442663E-03 -8.9813622E-04 24 1.1543768E-02 -5.3170550E-03 -2.0422755E-03 25 2.0383017E-02 -9.7653825E-03 -3.7826786E-03 26 2.6233327E-02 -1.3310881E-02 -5.2018837E-03 27 2.1247519E-02 -1.1036981E-02 -4.3529308E-03 28 8.2091649E-03 1.3736220E-05 5.0383482E-04 29 1.0396531E-03 1.0802741E-02 5.5808970E-03 30 -4.5846068E-06 1.0952197E-02 6.6294428E-03 31 -2.5225168E-05 3.1744889E-03 2.2010884E-04 32 -2.3108189E-05 1.4466901E-04 -5.5590422E-03 33 -6.1358448E-06 1.3316059E-05 -3.4999214E-03 34 -1.1665468E-05 -3.6088770E-07 -4.9164273E-04 2P+ 3P+ 4P+ -1.0626109E+02 -1.8034802E+01 -2.2396734E+00 ------------ ------------ ------------ 1 1.3806057E-06 6.1469115E-07 -2.3371716E-07 2 1.1377298E-05 5.0681788E-06 -1.9330682E-06 3 9.0528614E-05 4.0382959E-05 -1.5366295E-05 4 6.1022920E-04 2.7259411E-04 -1.0396478E-04 5 3.4405470E-03 1.5431984E-03 -5.8798318E-04 6 1.5702720E-02 7.1065050E-03 -2.7159268E-03 7 5.7096563E-02 2.6391457E-02 -1.0108734E-02 8 1.5782655E-01 7.5838225E-02 -2.9293876E-02 9 3.0842622E-01 1.5686713E-01 -6.1116097E-02 10 3.7390168E-01 1.9771124E-01 -7.7972905E-02 11 2.1812638E-01 2.5439335E-02 2.9225908E-04 12 4.4883093E-02 -3.3969200E-01 1.7435158E-01 13 2.7411395E-03 -5.2733538E-01 3.1702310E-01 14 1.1733508E-04 -2.3587414E-01 4.8701067E-02 15 -1.6928833E-05 -1.7981563E-02 -5.1612009E-01 16 -3.7310660E-05 -2.0466649E-03 -5.2641175E-01 17 3.1471019E-07 2.6766187E-04 -1.2872206E-01 18 3.4773959E-06 1.5463934E-06 -5.8685067E-07 19 2.0656056E-05 9.1807390E-06 -3.5030264E-06 20 1.0514325E-04 4.6774717E-05 -1.7784409E-05 21 4.3724022E-04 1.9472201E-04 -7.4236072E-05 22 1.5220638E-03 6.8057602E-04 -2.5915644E-04 23 4.3827087E-03 1.9775529E-03 -7.5540811E-04 24 1.0358587E-02 4.7746777E-03 -1.8279547E-03 25 1.9176100E-02 9.1918961E-03 -3.5491307E-03 26 2.5760191E-02 1.3074661E-02 -5.0922164E-03 27 2.1912978E-02 1.1569413E-02 -4.5619691E-03 28 9.0888977E-03 1.0692336E-03 6.1333338E-06 29 1.3363028E-03 -1.0085018E-02 5.1744285E-03 30 5.8267645E-05 -1.1166412E-02 6.7109634E-03 31 1.6853127E-06 -3.5220114E-03 7.2780843E-04 32 -1.4351280E-07 -1.8553420E-04 -5.3248511E-03 33 -2.7163817E-07 -1.4221825E-05 -3.6502120E-03 34 5.0251629E-09 1.2101637E-06 -5.7821212E-04 3D- 4D- -1.1446812E+01 -5.1444813E-01 ------------ ------------ 1 2.2941586E-04 6.9755620E-05 2 1.4069558E-03 4.2814480E-04 3 8.6889008E-03 2.6555719E-03 4 3.7475075E-02 1.1516205E-02 5 1.1668807E-01 3.6336761E-02 6 2.4915753E-01 7.7829019E-02 7 3.5468922E-01 1.0636406E-01 8 3.2213808E-01 7.7434673E-02 9 1.3966928E-01 -9.2613932E-02 10 2.0442343E-02 -3.2101674E-01 11 1.1953121E-03 -4.1866983E-01 12 2.9545120E-04 -3.0821181E-01 13 9.2398056E-05 -9.6415054E-02 14 7.0481831E-05 2.1437626E-05 15 3.2209151E-04 9.8009646E-05 16 1.3070586E-03 3.9948454E-04 17 3.7705373E-03 1.1586972E-03 18 8.0011084E-03 2.4916192E-03 19 1.1903955E-02 3.7188528E-03 20 1.1977182E-02 3.5922869E-03 21 7.7305382E-03 1.8588956E-03 22 2.3683672E-03 -1.5726150E-03 23 2.4015165E-04 -3.7972607E-03 24 8.7576601E-06 -3.3618113E-03 25 1.2981228E-06 -1.6196234E-03 26 1.6749657E-07 -3.1622768E-04 3D+ 4D+ -1.1283333E+01 -5.0106224E-01 ------------ ------------ 1 1.4894080E-04 4.5038805E-05 2 1.1948489E-03 3.6154702E-04 3 7.9658880E-03 2.4205796E-03 4 3.5843638E-02 1.0951739E-02 5 1.1376906E-01 3.5222056E-02 6 2.4580521E-01 7.6397167E-02 7 3.5367325E-01 1.0568604E-01 8 3.2559329E-01 7.9156276E-02 9 1.4365119E-01 -8.7096545E-02 10 2.1494526E-02 -3.1499129E-01 11 1.2461297E-03 -4.1840524E-01 12 3.1340631E-04 -3.1459767E-01 13 9.8632895E-05 -1.0251585E-01 14 6.1037575E-05 1.8451000E-05 15 2.9612040E-04 8.9568892E-05 16 1.2396493E-03 3.7656637E-04 17 3.6497158E-03 1.1148175E-03 18 7.8439883E-03 2.4278167E-03 19 1.1775624E-02 3.6591540E-03 20 1.1962189E-02 3.5740023E-03 21 7.8227363E-03 1.9017596E-03 22 2.4406207E-03 -1.4789181E-03 23 2.5436776E-04 -3.7263308E-03 24 1.0003920E-05 -3.3598794E-03 25 1.6487073E-06 -1.6532713E-03 26 3.2303040E-07 -3.3627822E-04 ____________________ SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1614539079E+09 0.1000000000E+01 0.1000000000E+01 2 0.3676151529E+08 0.1000000000E+01 0.1000000000E+01 3 0.9274660363E+07 0.1000000000E+01 0.1000000000E+01 4 0.2573515073E+07 0.1000000000E+01 0.1000000000E+01 5 0.7795497434E+06 0.1000000000E+01 0.1000000000E+01 6 0.2558666533E+06 0.1000000000E+01 0.1000000000E+01 7 0.9032346863E+05 0.1000000000E+01 0.1000000000E+01 8 0.3403838236E+05 0.1000000000E+01 0.1000000000E+01 9 0.1359198632E+05 0.1000000000E+01 0.1000000000E+01 10 0.5708302497E+04 0.1000000000E+01 0.1000000000E+01 11 0.2502680379E+04 0.1000000000E+01 0.1000000000E+01 12 0.1136952918E+04 0.1000000000E+01 0.1000000000E+01 13 0.5312299827E+03 0.1000000000E+01 0.1000000000E+01 14 0.2533903125E+03 0.1000000000E+01 0.1000000000E+01 15 0.1224698229E+03 0.1000000000E+01 0.1000000000E+01 16 0.5953387491E+02 0.1000000000E+01 0.1000000000E+01 17 0.2889079638E+02 0.1000000000E+01 0.1000000000E+01 18 0.1389247111E+02 0.1000000000E+01 0.1000000000E+01 19 0.6570349030E+01 0.1000000000E+01 0.1000000000E+01 20 0.3033546477E+01 0.1000000000E+01 0.1000000000E+01 21 0.1357158163E+01 0.1000000000E+01 0.1000000000E+01 22 0.5839722293E+00 0.1000000000E+01 0.1000000000E+01 23 0.2398833868E+00 0.1000000000E+01 0.1000000000E+01 24 0.9337244226E-01 0.1000000000E+01 0.1000000000E+01 25 0.3418315610E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.7371120270E+06 0.1000000000E+01 0.1000000000E+01 2 0.1548700830E+06 0.1000000000E+01 0.1000000000E+01 3 0.3834875677E+05 0.1000000000E+01 0.1000000000E+01 4 0.1100353659E+05 0.1000000000E+01 0.1000000000E+01 5 0.3597145955E+04 0.1000000000E+01 0.1000000000E+01 6 0.1317273979E+04 0.1000000000E+01 0.1000000000E+01 7 0.5312928512E+03 0.1000000000E+01 0.1000000000E+01 8 0.2320487095E+03 0.1000000000E+01 0.1000000000E+01 9 0.1079093780E+03 0.1000000000E+01 0.1000000000E+01 10 0.5253171600E+02 0.1000000000E+01 0.1000000000E+01 11 0.2632169627E+02 0.1000000000E+01 0.1000000000E+01 12 0.1334699711E+02 0.1000000000E+01 0.1000000000E+01 13 0.6734078696E+01 0.1000000000E+01 0.1000000000E+01 14 0.3323879388E+01 0.1000000000E+01 0.1000000000E+01 15 0.1578091912E+01 0.1000000000E+01 0.1000000000E+01 16 0.7085766232E+00 0.1000000000E+01 0.1000000000E+01 17 0.2958396336E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.7371120270E+06 0.1000000000E+01 0.1000000000E+01 2 0.1548700830E+06 0.1000000000E+01 0.1000000000E+01 3 0.3834875677E+05 0.1000000000E+01 0.1000000000E+01 4 0.1100353659E+05 0.1000000000E+01 0.1000000000E+01 5 0.3597145955E+04 0.1000000000E+01 0.1000000000E+01 6 0.1317273979E+04 0.1000000000E+01 0.1000000000E+01 7 0.5312928512E+03 0.1000000000E+01 0.1000000000E+01 8 0.2320487095E+03 0.1000000000E+01 0.1000000000E+01 9 0.1079093780E+03 0.1000000000E+01 0.1000000000E+01 10 0.5253171600E+02 0.1000000000E+01 0.1000000000E+01 11 0.2632169627E+02 0.1000000000E+01 0.1000000000E+01 12 0.1334699711E+02 0.1000000000E+01 0.1000000000E+01 13 0.6734078696E+01 0.1000000000E+01 0.1000000000E+01 14 0.3323879388E+01 0.1000000000E+01 0.1000000000E+01 15 0.1578091912E+01 0.1000000000E+01 0.1000000000E+01 16 0.7085766232E+00 0.1000000000E+01 0.1000000000E+01 17 0.2958396336E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.1914069549E+04 0.1000000000E+01 0.1000000000E+01 2 0.6473621501E+03 0.1000000000E+01 0.1000000000E+01 3 0.2469160509E+03 0.1000000000E+01 0.1000000000E+01 4 0.1039034494E+03 0.1000000000E+01 0.1000000000E+01 5 0.4719059217E+02 0.1000000000E+01 0.1000000000E+01 6 0.2263038290E+02 0.1000000000E+01 0.1000000000E+01 7 0.1120999929E+02 0.1000000000E+01 0.1000000000E+01 8 0.5611289438E+01 0.1000000000E+01 0.1000000000E+01 9 0.2776702514E+01 0.1000000000E+01 0.1000000000E+01 10 0.1328837355E+01 0.1000000000E+01 0.1000000000E+01 11 0.6016671342E+00 0.1000000000E+01 0.1000000000E+01 12 0.2521441700E+00 0.1000000000E+01 0.1000000000E+01 13 0.9567885039E-01 0.1000000000E+01 0.1000000000E+01 D+ 1 0.1914069549E+04 0.1000000000E+01 0.1000000000E+01 2 0.6473621501E+03 0.1000000000E+01 0.1000000000E+01 3 0.2469160509E+03 0.1000000000E+01 0.1000000000E+01 4 0.1039034494E+03 0.1000000000E+01 0.1000000000E+01 5 0.4719059217E+02 0.1000000000E+01 0.1000000000E+01 6 0.2263038290E+02 0.1000000000E+01 0.1000000000E+01 7 0.1120999929E+02 0.1000000000E+01 0.1000000000E+01 8 0.5611289438E+01 0.1000000000E+01 0.1000000000E+01 9 0.2776702514E+01 0.1000000000E+01 0.1000000000E+01 10 0.1328837355E+01 0.1000000000E+01 0.1000000000E+01 11 0.6016671342E+00 0.1000000000E+01 0.1000000000E+01 12 0.2521441700E+00 0.1000000000E+01 0.1000000000E+01 13 0.9567885039E-01 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 4 3 3 1 1 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+ 5S+ -8.1770191E+02 -1.2047894E+02 -2.2481203E+01 -3.4525328E+00 -2.2302976E-01 ------------ ------------ ------------ ------------ ------------ 1 -3.7563119E-06 1.2595029E-06 -5.3908744E-07 2.1781396E-07 5.1545383E-08 2 -2.4286346E-05 8.1506322E-06 -3.4889530E-06 1.4079690E-06 3.3307110E-07 3 -6.6262282E-05 2.2290429E-05 -9.5449366E-06 3.8566499E-06 9.1266661E-07 4 -1.8234006E-04 6.1493988E-05 -2.6340593E-05 1.0627441E-05 2.5138304E-06 5 -4.7537742E-04 1.6104060E-04 -6.9025915E-05 2.7909360E-05 6.6058775E-06 6 -1.2520827E-03 4.2588315E-04 -1.8263534E-04 7.3647641E-05 1.7417392E-05 7 -3.2821217E-03 1.1235017E-03 -4.8225661E-04 1.9523043E-04 4.6224314E-05 8 -8.5312410E-03 2.9379886E-03 -1.2620512E-03 5.0849081E-04 1.2021979E-04 9 -2.1589552E-02 7.5336064E-03 -3.2425180E-03 1.3150937E-03 3.1152192E-04 10 -5.2018682E-02 1.8536604E-02 -8.0008319E-03 3.2214096E-03 7.6136233E-04 11 -1.1537400E-01 4.3176759E-02 -1.8770664E-02 7.6418363E-03 1.8117629E-03 12 -2.2111901E-01 9.0791266E-02 -3.9996559E-02 1.6123902E-02 3.8100320E-03 13 -3.2568070E-01 1.6193793E-01 -7.3483655E-02 3.0293959E-02 7.2005593E-03 14 -2.8891800E-01 1.9199999E-01 -9.1501083E-02 3.6978774E-02 8.7249365E-03 15 -1.0047032E-01 1.3953127E-02 -5.0205608E-03 3.7355455E-03 1.0071209E-03 16 -5.4225013E-03 -4.5350929E-01 3.1557519E-01 -1.4413921E-01 -3.4882586E-02 17 -9.2381283E-04 -5.5347456E-01 5.5953827E-01 -2.5794265E-01 -6.1995926E-02 18 5.0296717E-04 -1.3850687E-01 -4.9348245E-02 1.1826540E-02 1.5106255E-03 19 -2.1718407E-04 -5.2461435E-03 -8.6553273E-01 7.1442971E-01 1.9185033E-01 20 1.4139404E-04 2.2982611E-05 -3.6412429E-01 4.1538526E-01 1.1154850E-01 21 -7.8448762E-05 -1.3046162E-04 5.6269051E-03 -8.3920049E-01 -2.9287901E-01 22 3.7368238E-05 2.0467562E-04 -9.7671822E-03 -5.7804909E-01 -3.0588131E-01 23 -1.7823523E-05 -8.7647478E-05 3.9010591E-03 -3.3271254E-02 -3.0695939E-02 24 7.1527220E-06 3.7345720E-05 -1.5969039E-03 -3.8190740E-03 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-4.7692333E-02 2.3268669E-02 -1.0534950E-02 4.3417013E-03 1.0319434E-03 39 -2.9485330E-02 1.9280432E-02 -9.1751308E-03 3.7070392E-03 8.7462013E-04 40 -7.1594695E-03 1.0739623E-03 -4.1590764E-04 2.8920353E-04 7.7107380E-05 41 -2.6937829E-04 -2.2085067E-02 1.5323017E-02 -6.9959794E-03 -1.6929963E-03 42 -3.1968530E-05 -1.8838330E-02 1.9002396E-02 -8.7577403E-03 -2.1048246E-03 43 1.2106721E-05 -3.2710763E-03 -1.1503204E-03 2.7027423E-04 3.3466706E-05 44 -3.6145913E-06 -8.5427014E-05 -1.4022859E-02 1.1569465E-02 3.1066421E-03 45 1.5951379E-06 4.1982331E-07 -4.0102647E-03 4.5734970E-03 1.2282398E-03 46 -5.9266686E-07 -1.0515900E-06 4.1568626E-05 -6.1784803E-03 -2.1561295E-03 47 1.8583328E-07 1.0350079E-06 -4.7246930E-05 -2.7917985E-03 -1.4772246E-03 48 -5.7005297E-08 -2.9279187E-07 1.2105592E-05 -1.0299916E-04 -9.5022147E-05 49 1.4373901E-08 8.0946750E-08 -3.0953515E-06 -7.3717693E-06 1.1533851E-03 50 -2.3187265E-09 -1.4514097E-08 5.0290337E-07 7.8922594E-07 6.6646932E-04 2P- 3P- 4P- 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6.7685398E-03 2.5670052E-03 7 5.4762890E-02 2.5283244E-02 9.6020602E-03 8 1.5333892E-01 7.3563530E-02 2.8192765E-02 9 3.0495818E-01 1.5474591E-01 5.9748417E-02 10 3.7748083E-01 1.9989484E-01 7.8319424E-02 11 2.2433746E-01 3.1648021E-02 2.2622564E-03 12 4.6272601E-02 -3.3949616E-01 -1.7233904E-01 13 2.8171471E-03 -5.3235653E-01 -3.1790466E-01 14 8.0427216E-05 -2.3471676E-01 -4.2534491E-02 15 -7.6153207E-07 -1.6696969E-02 5.1659770E-01 16 -4.5787281E-05 -2.2007008E-03 5.1860083E-01 17 4.1713035E-07 2.3352418E-04 1.3397456E-01 18 3.4697095E-06 1.5422221E-06 5.7960285E-07 19 2.0281351E-05 9.0161502E-06 3.4170816E-06 20 1.0219754E-04 4.5452178E-05 1.7130767E-05 21 4.2241454E-04 1.8812322E-04 7.1191439E-05 22 1.4673187E-03 6.5588068E-04 2.4765387E-04 23 4.2352887E-03 1.9102653E-03 7.2414185E-04 24 1.0077983E-02 4.6398657E-03 1.7612512E-03 25 1.8882611E-02 9.0365739E-03 3.4618489E-03 26 2.5770790E-02 1.3049727E-02 5.0368563E-03 27 2.2330442E-02 1.1806756E-02 4.6251303E-03 28 9.4086288E-03 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6.8515058E-06 -2.9977172E-03 25 1.5189126E-06 -1.4760947E-03 26 3.2837044E-07 -3.3617550E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -8.1770204E+02 -1.2047896E+02 -2.2481205E+01 -3.4525333E+00 -2.2302977E-01 ------------ ------------ ------------ ------------ ------------ 1 4.3827755E-06 -1.4695811E-06 -6.2900473E-07 -2.5412506E-07 6.0137008E-08 2 2.3700145E-05 -7.9540565E-06 -3.4048152E-06 -1.3739929E-06 3.2503209E-07 3 6.6818047E-05 -2.2476848E-05 -9.6247301E-06 -3.8888723E-06 9.2029091E-07 4 1.8181274E-04 -6.1317125E-05 -2.6264891E-05 -1.0596870E-05 2.5065972E-06 5 4.7593355E-04 -1.6122722E-04 -6.9105801E-05 -2.7941620E-05 6.6135115E-06 6 1.2515037E-03 -4.2568881E-04 -1.8255215E-04 -7.3614047E-05 1.7409443E-05 7 3.2827772E-03 -1.1237221E-03 -4.8235096E-04 -1.9526853E-04 4.6233335E-05 8 8.5305266E-03 -2.9377480E-03 -1.2619481E-03 -5.0844917E-04 1.2020994E-04 9 2.1590395E-02 -7.5338919E-03 -3.2426404E-03 -1.3151432E-03 3.1153365E-04 10 5.2017770E-02 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17 -4.1670331E-03 1.2250422E-03 18 -8.6198432E-03 2.5732071E-03 19 -1.2287830E-02 3.6585332E-03 20 -1.1766959E-02 3.3530420E-03 21 -6.9608329E-03 1.3938836E-03 22 -1.8184277E-03 -1.9945675E-03 23 -1.4783660E-04 -3.7131381E-03 24 -5.8716711E-06 -2.9994835E-03 25 -1.2309251E-06 -1.4437260E-03 26 -1.9328994E-07 -3.1242609E-04 3D+ 4D+ -1.1131628E+01 -3.7649018E-01 ------------ ------------ 1 1.7931278E-04 5.1819875E-05 2 1.4273708E-03 4.1170009E-04 3 9.3995680E-03 2.7284093E-03 4 4.1345083E-02 1.2055020E-02 5 1.2795529E-01 3.7880713E-02 6 2.6524735E-01 7.8385200E-02 7 3.6427677E-01 1.0319895E-01 8 3.0869913E-01 6.3008178E-02 9 1.1688436E-01 -1.1795158E-01 10 1.4145971E-02 -3.2752648E-01 11 9.1598702E-04 -4.0034305E-01 12 3.1268667E-04 -3.0451220E-01 13 1.1029011E-04 -1.1258254E-01 14 7.0625670E-05 2.0405104E-05 15 3.3966578E-04 9.7931221E-05 16 1.4041189E-03 4.0744625E-04 17 4.0398184E-03 1.1775515E-03 18 8.4599834E-03 2.5039259E-03 19 1.2167982E-02 3.5951328E-03 20 1.1770039E-02 3.3339072E-03 21 7.0597792E-03 1.4410281E-03 22 1.8806125E-03 -1.8969058E-03 23 1.5747308E-04 -3.6445567E-03 24 6.8515077E-06 -2.9977172E-03 25 1.5189140E-06 -1.4760948E-03 26 3.2836948E-07 -3.3617553E-04 ******************** RHODIUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1608087157E+09 0.1000000000E+01 0.1000000000E+01 2 0.3648913811E+08 0.1000000000E+01 0.1000000000E+01 3 0.9192627327E+07 0.1000000000E+01 0.1000000000E+01 4 0.2551708359E+07 0.1000000000E+01 0.1000000000E+01 5 0.7745171857E+06 0.1000000000E+01 0.1000000000E+01 6 0.2551132571E+06 0.1000000000E+01 0.1000000000E+01 7 0.9049618040E+05 0.1000000000E+01 0.1000000000E+01 8 0.3430962965E+05 0.1000000000E+01 0.1000000000E+01 9 0.1379696863E+05 0.1000000000E+01 0.1000000000E+01 10 0.5840183539E+04 0.1000000000E+01 0.1000000000E+01 11 0.2582484915E+04 0.1000000000E+01 0.1000000000E+01 12 0.1183888702E+04 0.1000000000E+01 0.1000000000E+01 13 0.5583918234E+03 0.1000000000E+01 0.1000000000E+01 14 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0.1184059893E+03 0.1000000000E+01 0.1000000000E+01 10 0.5792302830E+02 0.1000000000E+01 0.1000000000E+01 11 0.2922104658E+02 0.1000000000E+01 0.1000000000E+01 12 0.1493607710E+02 0.1000000000E+01 0.1000000000E+01 13 0.7599813834E+01 0.1000000000E+01 0.1000000000E+01 14 0.3782024539E+01 0.1000000000E+01 0.1000000000E+01 15 0.1808548111E+01 0.1000000000E+01 0.1000000000E+01 16 0.8164873870E+00 0.1000000000E+01 0.1000000000E+01 17 0.3419101061E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.2150541641E+04 0.1000000000E+01 0.1000000000E+01 2 0.7278304844E+03 0.1000000000E+01 0.1000000000E+01 3 0.2782111434E+03 0.1000000000E+01 0.1000000000E+01 4 0.1175273656E+03 0.1000000000E+01 0.1000000000E+01 5 0.5368858880E+02 0.1000000000E+01 0.1000000000E+01 6 0.2595145965E+02 0.1000000000E+01 0.1000000000E+01 7 0.1298783347E+02 0.1000000000E+01 0.1000000000E+01 8 0.6585140718E+01 0.1000000000E+01 0.1000000000E+01 9 0.3309825836E+01 0.1000000000E+01 0.1000000000E+01 10 0.1613672001E+01 0.1000000000E+01 0.1000000000E+01 11 0.7467130337E+00 0.1000000000E+01 0.1000000000E+01 12 0.3209067509E+00 0.1000000000E+01 0.1000000000E+01 13 0.1253282382E+00 0.1000000000E+01 0.1000000000E+01 D+ 1 0.2150541641E+04 0.1000000000E+01 0.1000000000E+01 2 0.7278304844E+03 0.1000000000E+01 0.1000000000E+01 3 0.2782111434E+03 0.1000000000E+01 0.1000000000E+01 4 0.1175273656E+03 0.1000000000E+01 0.1000000000E+01 5 0.5368858880E+02 0.1000000000E+01 0.1000000000E+01 6 0.2595145965E+02 0.1000000000E+01 0.1000000000E+01 7 0.1298783347E+02 0.1000000000E+01 0.1000000000E+01 8 0.6585140718E+01 0.1000000000E+01 0.1000000000E+01 9 0.3309825836E+01 0.1000000000E+01 0.1000000000E+01 10 0.1613672001E+01 0.1000000000E+01 0.1000000000E+01 11 0.7467130337E+00 0.1000000000E+01 0.1000000000E+01 12 0.3209067509E+00 0.1000000000E+01 0.1000000000E+01 13 0.1253282382E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 5 3 3 1 1 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+ 5S+ -8.5859171E+02 -1.2760172E+02 -2.4233959E+01 -3.8758901E+00 -2.6098577E-01 ------------ ------------ ------------ ------------ ------------ 1 4.1334769E-06 -1.3914524E-06 -5.9918423E-07 -2.4657406E-07 6.3808374E-08 2 2.6759308E-05 -9.0166290E-06 -3.8829110E-06 -1.5961793E-06 4.1287823E-07 3 7.2784028E-05 -2.4583985E-05 -1.0591214E-05 -4.3586258E-06 1.1279174E-06 4 1.9931247E-04 -6.7500169E-05 -2.9087913E-05 -1.1955312E-05 3.0921196E-06 5 5.1580539E-04 -1.7549300E-04 -7.5684167E-05 -3.1166854E-05 8.0670609E-06 6 1.3462967E-03 -4.6001974E-04 -1.9846957E-04 -8.1535632E-05 2.1083327E-05 7 3.4901618E-03 -1.2004214E-03 -5.1851224E-04 -2.1377472E-04 5.5354690E-05 8 8.9608319E-03 -3.1016948E-03 -1.3404760E-03 -5.5027831E-04 1.4223415E-04 9 2.2368180E-02 -7.8477608E-03 -3.3995926E-03 -1.4041706E-03 3.6381679E-04 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3.4524500E-04 1.0881220E-04 16 1.3877671E-03 4.3962082E-04 17 3.9640519E-03 1.2625211E-03 18 8.3413638E-03 2.6945549E-03 19 1.2309228E-02 3.9858386E-03 20 1.2336089E-02 3.8349375E-03 21 7.8874561E-03 1.9112467E-03 22 2.3626098E-03 -1.8237013E-03 23 2.3408532E-04 -4.0778572E-03 24 9.0512041E-06 -3.4750624E-03 25 1.5838094E-06 -1.6144004E-03 26 1.7860118E-07 -2.9890653E-04 3D+ 4D+ -1.2345851E+01 -5.5280052E-01 ------------ ------------ 1 -1.5812726E-04 -4.9531931E-05 2 -1.2579984E-03 -3.9407175E-04 3 -8.2985103E-03 -2.6123372E-03 4 -3.6911375E-02 -1.1682830E-02 5 -1.1593160E-01 -3.7213236E-02 6 -2.4785776E-01 -7.9813461E-02 7 -3.5439228E-01 -1.0973305E-01 8 -3.2248366E-01 -7.9187728E-02 9 -1.3885732E-01 9.7826605E-02 10 -2.0277449E-02 3.2632369E-01 11 -1.2490002E-03 4.1667179E-01 12 -3.6186889E-04 3.0225359E-01 13 -1.0498195E-04 9.3768439E-02 14 -6.5597833E-05 -2.0540649E-05 15 -3.1640294E-04 -9.9072650E-05 16 -1.3135412E-03 -4.1335025E-04 17 -3.8322783E-03 -1.2125678E-03 18 -8.1717847E-03 -2.6223506E-03 19 -1.2173442E-02 -3.9191249E-03 20 -1.2324160E-02 -3.8153393E-03 21 -7.9891742E-03 -1.9617646E-03 22 -2.4392648E-03 1.7174650E-03 23 -2.4874003E-04 4.0013968E-03 24 -1.0414301E-05 3.4757649E-03 25 -1.9813412E-06 1.6529035E-03 26 -3.5805291E-07 3.2045702E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -8.5859185E+02 -1.2760174E+02 -2.4233962E+01 -3.8758907E+00 -2.6098581E-01 ------------ ------------ ------------ ------------ ------------ 1 -4.8219322E-06 1.6232361E-06 -6.9899254E-07 2.8762776E-07 -7.4430238E-08 2 -2.6117168E-05 8.8004403E-06 -3.7898183E-06 1.5578891E-06 -4.0297147E-07 3 -7.3394777E-05 2.4789664E-05 -1.0679784E-05 4.3950566E-06 -1.1373431E-06 4 -1.9873182E-04 6.7304645E-05 -2.9003716E-05 1.1920679E-05 -3.0831593E-06 5 -5.1642127E-04 1.7570050E-04 -7.5773529E-05 3.1203611E-05 -8.0765712E-06 6 -1.3456522E-03 4.5980257E-04 -1.9837604E-04 8.1497159E-05 -2.1073373E-05 7 -3.4908971E-03 1.2006696E-03 -5.1861915E-04 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-5.2864053E-01 3.2333139E-01 14 -9.6418392E-05 -2.4046513E-01 4.9922609E-02 15 7.4453073E-06 -1.7908748E-02 -5.2715387E-01 16 4.5714572E-05 -2.1547820E-03 -5.2379441E-01 17 -9.6499304E-07 2.7558924E-04 -1.2123688E-01 18 -1.7306031E-05 7.7116153E-06 -2.9874232E-06 19 -5.7903457E-05 2.5832613E-05 -1.0027091E-05 20 -1.9804562E-04 8.8463741E-05 -3.4279053E-05 21 -6.3781643E-04 2.8557242E-04 -1.1090848E-04 22 -1.8990660E-03 8.5355722E-04 -3.3114695E-04 23 -4.9918636E-03 2.2647104E-03 -8.8154148E-04 24 -1.1176374E-02 5.1734244E-03 -2.0174952E-03 25 -2.0089226E-02 9.6662582E-03 -3.8033671E-03 26 -2.6612286E-02 1.3526386E-02 -5.3637956E-03 27 -2.2697276E-02 1.1973796E-02 -4.8129876E-03 28 -9.5679475E-03 1.2173358E-03 -2.0296229E-05 29 -1.3831414E-03 -1.0519844E-02 5.5334027E-03 30 -6.4831565E-06 -1.1896424E-02 7.2731520E-03 31 2.8378782E-05 -3.8191168E-03 7.9523392E-04 32 2.6328760E-05 -1.9835981E-04 -5.7809965E-03 33 7.0747488E-06 -1.6359551E-05 -3.8609391E-03 34 1.3251117E-05 4.1094762E-07 -5.7697500E-04 2P+ 3P+ 4P+ -1.1241790E+02 -1.9380670E+01 -2.4358047E+00 ------------ ------------ ------------ 1 -1.1561000E-06 -5.1831559E-07 -2.0005147E-07 2 -9.6675865E-06 -4.3446428E-06 -1.6840025E-06 3 -7.7612355E-05 -3.4873638E-05 -1.3472768E-05 4 -5.2978036E-04 -2.3866812E-04 -9.2487546E-05 5 -3.0241665E-03 -1.3662469E-03 -5.2857200E-04 6 -1.3997403E-02 -6.3826703E-03 -2.4780427E-03 7 -5.1645636E-02 -2.4000572E-02 -9.3323979E-03 8 -1.4583111E-01 -7.0411186E-02 -2.7622523E-02 9 -2.9390047E-01 -1.4976737E-01 -5.9201485E-02 10 -3.7546021E-01 -2.0112956E-01 -8.0763828E-02 11 -2.3876348E-01 -5.3502591E-02 -1.2430615E-02 12 -5.5549847E-02 3.0670634E-01 1.6049798E-01 13 -3.6406024E-03 5.3640314E-01 3.2521167E-01 14 -1.5435262E-04 2.6607550E-01 8.5315626E-02 15 2.8413047E-05 2.3218165E-02 -5.0083459E-01 16 4.2275487E-05 2.3439193E-03 -5.4509587E-01 17 1.1351448E-06 -2.6393516E-04 -1.4248157E-01 18 -2.9757559E-06 -1.3311164E-06 -5.1236203E-07 19 -1.8260738E-05 -8.1920113E-06 -3.1776958E-06 20 -9.4910833E-05 -4.2518566E-05 -1.6410264E-05 21 -4.0199213E-04 -1.8053916E-04 -6.9936812E-05 22 -1.4190941E-03 -6.3899656E-04 -2.4705075E-04 23 -4.1434831E-03 -1.8834715E-03 -7.3087991E-04 24 -9.9311703E-03 -4.6015084E-03 -1.7882971E-03 25 -1.8772442E-02 -9.0402129E-03 -3.5449840E-03 26 -2.6005038E-02 -1.3222345E-02 -5.2247025E-03 27 -2.3319394E-02 -1.2470877E-02 -5.0066726E-03 28 -1.0551087E-02 -2.3713375E-03 -5.5448429E-04 29 -1.7555796E-03 9.6625290E-03 5.0544005E-03 30 -8.2222538E-05 1.2065548E-02 7.3126944E-03 31 -2.3592422E-06 4.2236077E-03 1.3547366E-03 32 2.6913356E-07 2.5478444E-04 -5.4949183E-03 33 3.2935678E-07 1.7317209E-05 -4.0186667E-03 34 4.7507845E-10 -1.2687983E-06 -6.7976593E-04 3D- 4D- -1.2530932E+01 -5.6950310E-01 ------------ ------------ 1 2.4623560E-04 7.7581237E-05 2 1.4887107E-03 4.6923942E-04 3 9.0798722E-03 2.8762337E-03 4 3.8654855E-02 1.2311332E-02 5 1.1901998E-01 3.8446402E-02 6 2.5133296E-01 8.1373598E-02 7 3.5534238E-01 1.1044623E-01 8 3.1878240E-01 7.7214310E-02 9 1.3478324E-01 -1.0387974E-01 10 1.9241595E-02 -3.3259357E-01 11 1.1983166E-03 -4.1661431E-01 12 3.4153103E-04 -2.9523149E-01 13 9.7250220E-05 -8.7475488E-02 14 7.6148526E-05 2.4003142E-05 15 3.4524499E-04 1.0881220E-04 16 1.3877670E-03 4.3962081E-04 17 3.9640519E-03 1.2625210E-03 18 8.3413637E-03 2.6945548E-03 19 1.2309228E-02 3.9858385E-03 20 1.2336089E-02 3.8349374E-03 21 7.8874561E-03 1.9112467E-03 22 2.3626099E-03 -1.8237012E-03 23 2.3408534E-04 -4.0778571E-03 24 9.0512035E-06 -3.4750624E-03 25 1.5838096E-06 -1.6144004E-03 26 1.7860111E-07 -2.9890657E-04 3D+ 4D+ -1.2345851E+01 -5.5280048E-01 ------------ ------------ 1 -1.5812725E-04 -4.9531930E-05 2 -1.2579983E-03 -3.9407174E-04 3 -8.2985101E-03 -2.6123371E-03 4 -3.6911375E-02 -1.1682830E-02 5 -1.1593160E-01 -3.7213236E-02 6 -2.4785776E-01 -7.9813459E-02 7 -3.5439228E-01 -1.0973305E-01 8 -3.2248366E-01 -7.9187729E-02 9 -1.3885733E-01 9.7826600E-02 10 -2.0277450E-02 3.2632368E-01 11 -1.2490002E-03 4.1667179E-01 12 -3.6186896E-04 3.0225360E-01 13 -1.0498195E-04 9.3768451E-02 14 -6.5597831E-05 -2.0540648E-05 15 -3.1640293E-04 -9.9072647E-05 16 -1.3135412E-03 -4.1335024E-04 17 -3.8322783E-03 -1.2125678E-03 18 -8.1717846E-03 -2.6223505E-03 19 -1.2173441E-02 -3.9191249E-03 20 -1.2324160E-02 -3.8153392E-03 21 -7.9891742E-03 -1.9617646E-03 22 -2.4392649E-03 1.7174649E-03 23 -2.4874004E-04 4.0013967E-03 24 -1.0414301E-05 3.4757649E-03 25 -1.9813415E-06 1.6529035E-03 26 -3.5805288E-07 3.2045706E-04 ____________________ SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1530625979E+09 0.1000000000E+01 0.1000000000E+01 2 0.3504866765E+08 0.1000000000E+01 0.1000000000E+01 3 0.8897645976E+07 0.1000000000E+01 0.1000000000E+01 4 0.2485441885E+07 0.1000000000E+01 0.1000000000E+01 5 0.7581946107E+06 0.1000000000E+01 0.1000000000E+01 6 0.2506859935E+06 0.1000000000E+01 0.1000000000E+01 7 0.8916110633E+05 0.1000000000E+01 0.1000000000E+01 8 0.3385638133E+05 0.1000000000E+01 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0.1000000000E+01 0.1000000000E+01 6 0.2392605319E+02 0.1000000000E+01 0.1000000000E+01 7 0.1194894499E+02 0.1000000000E+01 0.1000000000E+01 8 0.6034377274E+01 0.1000000000E+01 0.1000000000E+01 9 0.3014215098E+01 0.1000000000E+01 0.1000000000E+01 10 0.1456630473E+01 0.1000000000E+01 0.1000000000E+01 11 0.6661198797E+00 0.1000000000E+01 0.1000000000E+01 12 0.2819536598E+00 0.1000000000E+01 0.1000000000E+01 13 0.1080487879E+00 0.1000000000E+01 0.1000000000E+01 D+ 1 0.1974411246E+04 0.1000000000E+01 0.1000000000E+01 2 0.6692546256E+03 0.1000000000E+01 0.1000000000E+01 3 0.2562224176E+03 0.1000000000E+01 0.1000000000E+01 4 0.1083700640E+03 0.1000000000E+01 0.1000000000E+01 5 0.4952933321E+02 0.1000000000E+01 0.1000000000E+01 6 0.2392605319E+02 0.1000000000E+01 0.1000000000E+01 7 0.1194894499E+02 0.1000000000E+01 0.1000000000E+01 8 0.6034377274E+01 0.1000000000E+01 0.1000000000E+01 9 0.3014215098E+01 0.1000000000E+01 0.1000000000E+01 10 0.1456630473E+01 0.1000000000E+01 0.1000000000E+01 11 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-8.7283827E-01 -7.4242718E-01 -1.9639053E-01 20 1.3133562E-04 -8.3405309E-05 -3.5838901E-01 -3.9641582E-01 -1.0342759E-01 21 -7.2833625E-05 -4.5157761E-05 5.6605033E-03 8.6262068E-01 2.9744429E-01 22 3.4340755E-05 1.5944853E-04 -9.5090698E-03 5.5727375E-01 2.9232252E-01 23 -1.6307883E-05 -6.6021426E-05 3.7510526E-03 2.9933302E-02 2.1879803E-02 24 6.5233743E-06 2.8412190E-05 -1.5291427E-03 3.5572068E-03 -5.8320421E-01 25 -1.7123610E-06 -7.8473556E-06 4.0904414E-04 -6.3116655E-04 -5.7634332E-01 26 -5.3649441E-06 1.8072751E-06 -7.7804945E-07 -3.2073781E-07 -7.4651538E-08 27 -6.9488946E-05 2.3356255E-05 -1.0053853E-05 -4.1013546E-06 -9.5170348E-07 28 -1.9810709E-04 6.6653176E-05 -2.8693054E-05 -1.1756045E-05 -2.7313897E-06 29 -4.8171347E-04 1.6195988E-04 -6.9719708E-05 -2.8440293E-05 -6.5993806E-06 30 -1.0665472E-03 3.5909499E-04 -1.5459879E-04 -6.3364328E-05 -1.4723494E-05 31 -2.2138027E-03 7.4526512E-04 -3.2087926E-04 -1.3082890E-04 -3.0353418E-05 32 -4.3463739E-03 1.4681213E-03 -6.3234371E-04 -2.5937961E-04 -6.0283216E-05 33 -8.0995045E-03 2.7451434E-03 -1.1831030E-03 -4.8202491E-04 -1.1180737E-04 34 -1.4325880E-02 4.9155453E-03 -2.1219301E-03 -8.7175164E-04 -2.0268649E-04 35 -2.3789032E-02 8.3363355E-03 -3.6101630E-03 -1.4701006E-03 -3.4090028E-04 36 -3.6186854E-02 1.3338408E-02 -5.8177466E-03 -2.3992945E-03 -5.5831799E-04 37 -4.7566726E-02 1.9280454E-02 -8.5301144E-03 -3.4783655E-03 -8.0647044E-04 38 -4.8191656E-02 2.3707601E-02 -1.0805112E-02 -4.5154775E-03 -1.0535656E-03 39 -2.9562516E-02 1.9411267E-02 -9.3100622E-03 -3.8034004E-03 -8.8041362E-04 40 -7.1696217E-03 8.0271596E-04 -2.4605952E-04 -2.3306235E-04 -6.3268957E-05 41 -2.7534386E-04 -2.2603308E-02 1.5828339E-02 7.3484015E-03 1.7466043E-03 42 -3.1264318E-05 -1.9238642E-02 1.9574143E-02 9.1433138E-03 2.1579477E-03 43 1.1833966E-05 -3.3829211E-03 -1.2244484E-03 -2.7747426E-04 -3.2549039E-05 44 -3.4613947E-06 -8.4014984E-05 -1.4551819E-02 -1.2371587E-02 -3.2723936E-03 45 1.5297408E-06 -7.7704602E-07 -4.0646077E-03 -4.4946157E-03 -1.1727596E-03 46 -5.6847448E-07 -4.3410985E-07 4.3082687E-05 6.5404531E-03 2.2550797E-03 47 1.7660471E-07 8.3957945E-07 -4.7357622E-05 2.7703938E-03 1.4531422E-03 48 -5.3973257E-08 -2.3177030E-07 1.1972196E-05 9.5279039E-05 6.9641265E-05 49 1.3588130E-08 6.5196643E-08 -3.0435648E-06 7.0442871E-06 -1.1557669E-03 50 -2.2013870E-09 -1.1965463E-08 4.9279091E-07 -7.5323830E-07 -6.8928001E-04 2P- 3P- 4P- -1.1759602E+02 -2.0165733E+01 -2.4489277E+00 ------------ ------------ ------------ 1 -8.2608014E-05 -3.6766757E-05 -1.4149437E-05 2 -1.8518643E-04 -8.2447476E-05 -3.1736665E-05 3 -5.7094971E-04 -2.5445063E-04 -9.7925617E-05 4 -1.6615282E-03 -7.4212508E-04 -2.8592730E-04 5 -5.5574634E-03 -2.4949968E-03 -9.6104667E-04 6 -1.9239109E-02 -8.7191303E-03 -3.3690859E-03 7 -6.1981847E-02 -2.8689173E-02 -1.1107679E-02 8 -1.6335241E-01 -7.8554815E-02 -3.0687945E-02 9 -3.1333062E-01 -1.5944405E-01 -6.2784871E-02 10 -3.7403755E-01 -1.9597575E-01 -7.8111042E-02 11 -2.1088637E-01 -1.0629146E-02 7.8598063E-03 12 -3.9655660E-02 3.6684788E-01 1.9208523E-01 13 -2.3396339E-03 5.2445825E-01 3.2318825E-01 14 1.4703019E-05 2.0737939E-01 -4.1482126E-03 15 -2.3710073E-05 1.2396737E-02 -5.4693105E-01 16 5.7736788E-05 2.0130349E-03 -4.8648505E-01 17 -3.2791478E-06 -2.0358697E-04 -1.1247474E-01 18 -1.7948975E-05 -8.0005478E-06 -3.0769112E-06 19 -5.8609653E-05 -2.6135744E-05 -1.0074004E-05 20 -1.9833072E-04 -8.8622533E-05 -3.4091218E-05 21 -6.3389218E-04 -2.8368987E-04 -1.0940526E-04 22 -1.8858668E-03 -8.4784460E-04 -3.2655123E-04 23 -4.9800630E-03 -2.2582873E-03 -8.7283430E-04 24 -1.1255374E-02 -5.2115550E-03 -2.0177256E-03 25 -2.0416200E-02 -9.8227207E-03 -3.8377797E-03 26 -2.7106368E-02 -1.3807322E-02 -5.4375677E-03 27 -2.2663458E-02 -1.1901103E-02 -4.7456998E-03 28 -8.9856753E-03 -4.4059809E-04 3.4292456E-04 29 -1.1365889E-03 1.1278235E-02 5.9008216E-03 30 5.6729930E-06 1.1452359E-02 7.0545455E-03 31 2.8931968E-05 3.1860808E-03 -6.0494599E-05 32 2.4735767E-05 1.3314162E-04 -5.7943096E-03 33 6.6096840E-06 1.4788968E-05 -3.4679711E-03 34 1.2692839E-05 -7.6923964E-08 -5.1969235E-04 2P+ 3P+ 4P+ -1.1225203E+02 -1.9214816E+01 -2.2975605E+00 ------------ ------------ ------------ 1 -1.2402473E-06 -5.5649567E-07 -2.1305141E-07 2 -9.9760700E-06 -4.4795384E-06 -1.7235220E-06 3 -7.8325473E-05 -3.5213866E-05 -1.3495544E-05 4 -5.2682800E-04 -2.3720321E-04 -9.1230028E-05 5 -2.9957318E-03 -1.3538481E-03 -5.1964508E-04 6 -1.3929870E-02 -6.3485614E-03 -2.4460682E-03 7 -5.2006332E-02 -2.4176249E-02 -9.3270482E-03 8 -1.4881121E-01 -7.1840556E-02 -2.7969916E-02 9 -3.0227356E-01 -1.5437623E-01 -6.0564067E-02 10 -3.8119709E-01 -2.0359249E-01 -8.1094738E-02 11 -2.3002998E-01 -3.7404379E-02 -4.6235677E-03 12 -4.7793305E-02 3.4110533E-01 1.7715696E-01 13 -2.8746435E-03 5.3582365E-01 3.2766855E-01 14 -3.5184004E-05 2.3181771E-01 3.2880542E-02 15 -4.8786801E-06 1.6334512E-02 -5.2454876E-01 16 5.5071378E-05 2.2580822E-03 -5.0857393E-01 17 -1.2672012E-06 -2.0684286E-04 -1.3275627E-01 18 -3.1563389E-06 -1.4144122E-06 -5.3981632E-07 19 -1.8688694E-05 -8.3730355E-06 -3.2246625E-06 20 -9.5357767E-05 -4.2750632E-05 -1.6366689E-05 21 -3.9957566E-04 -1.7933804E-04 -6.8952636E-05 22 -1.4085045E-03 -6.3445904E-04 -2.4335891E-04 23 -4.1320374E-03 -1.8772578E-03 -7.2293778E-04 24 -1.0001344E-02 -4.6356039E-03 -1.7874282E-03 25 -1.9086152E-02 -9.1900647E-03 -3.5764758E-03 26 -2.6516492E-02 -1.3512501E-02 -5.2991821E-03 27 -2.3340257E-02 -1.2445145E-02 -4.9561938E-03 28 -9.9628557E-03 -1.6291167E-03 -2.0647439E-04 29 -1.4722654E-03 1.0476198E-02 5.4388251E-03 30 -6.3029638E-05 1.1695288E-02 7.1496270E-03 31 -4.4556361E-07 3.5593751E-03 5.0569849E-04 32 -9.6625879E-08 1.7312777E-04 -5.5596448E-03 33 4.1141078E-07 1.6137136E-05 -3.6260903E-03 34 -1.1124209E-08 -9.6791277E-07 -6.1501342E-04 3D- 4D- -1.2366953E+01 -4.3416384E-01 ------------ ------------ 1 -2.8786491E-04 -8.7209758E-05 2 -1.7555358E-03 -5.3124168E-04 3 -1.0610758E-02 -3.2321745E-03 4 -4.4220958E-02 -1.3533929E-02 5 -1.3263442E-01 -4.1242765E-02 6 -2.6876584E-01 -8.3306953E-02 7 -3.6311123E-01 -1.0771206E-01 8 -3.0174348E-01 -6.1247255E-02 9 -1.1168023E-01 1.3105033E-01 10 -1.3497722E-02 3.3949162E-01 11 -9.3347017E-04 3.9768668E-01 12 -3.5394806E-04 2.8886264E-01 13 -1.1003184E-04 1.0006364E-01 14 -8.7362832E-05 -2.6487214E-05 15 -3.9386242E-04 -1.1916669E-04 16 -1.5626322E-03 -4.7603047E-04 17 -4.3619888E-03 -1.3349769E-03 18 -8.9348196E-03 -2.7784160E-03 19 -1.2643323E-02 -3.9194585E-03 20 -1.2092946E-02 -3.5878704E-03 21 -7.1470852E-03 -1.4514082E-03 22 -1.8675929E-03 2.1956654E-03 23 -1.5559319E-04 3.9547742E-03 24 -6.5147595E-06 3.1330783E-03 25 -1.5695336E-06 1.4806106E-03 26 -2.1946407E-07 3.1748710E-04 3D+ 4D+ -1.2181679E+01 -4.1778756E-01 ------------ ------------ 1 1.8972662E-04 -5.7023046E-05 2 1.4985834E-03 -4.4950875E-04 3 9.7487087E-03 -2.9437843E-03 4 4.2340106E-02 -1.2845183E-02 5 1.2939040E-01 -3.9881981E-02 6 2.6537596E-01 -8.1618826E-02 7 3.6269971E-01 -1.0695156E-01 8 3.0588918E-01 -6.3495616E-02 9 1.1539621E-01 1.2449562E-01 10 1.4253014E-02 3.3300560E-01 11 9.7040220E-04 3.9761656E-01 12 3.7174455E-04 2.9601353E-01 13 1.2112227E-04 1.0849602E-01 14 7.5699175E-05 -2.2745405E-05 15 3.6216994E-04 -1.0858710E-04 16 1.4825153E-03 -4.4751774E-04 17 4.2236867E-03 -1.2809784E-03 18 8.7629539E-03 -2.7002696E-03 19 1.2516726E-02 -3.8487923E-03 20 1.2098916E-02 -3.5670753E-03 21 7.2545578E-03 -1.5059881E-03 22 1.9344853E-03 2.0859858E-03 23 1.6612661E-04 3.8796023E-03 24 7.6361292E-06 3.1327146E-03 25 1.9096285E-06 1.5173498E-03 26 3.8312372E-07 3.4427958E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -8.5843326E+02 -1.2743428E+02 -2.4066502E+01 -3.7207490E+00 -2.2793670E-01 ------------ ------------ ------------ ------------ ------------ 1 5.2345832E-06 -1.7621654E-06 7.5866147E-07 3.1038165E-07 -7.2083001E-08 2 2.6832606E-05 -9.0418629E-06 3.8933938E-06 1.5909983E-06 -3.6936663E-07 3 7.5023197E-05 -2.5340940E-05 1.0915076E-05 4.4661404E-06 -1.0372434E-06 4 2.0220430E-04 -6.8485335E-05 2.9510532E-05 1.2056607E-05 -2.7988396E-06 5 5.2438781E-04 -1.7842399E-04 7.6929232E-05 3.1500467E-05 -7.3172345E-06 6 1.3642187E-03 -4.6618288E-04 2.0112893E-04 8.2125886E-05 -1.9061128E-05 7 3.5366892E-03 -1.2165165E-03 5.2528995E-04 2.1537482E-04 -5.0046485E-05 8 9.0767664E-03 -3.1422263E-03 1.3581501E-03 5.5405437E-04 -1.2855348E-04 9 2.2677128E-02 -7.9578188E-03 3.4457513E-03 1.4156492E-03 -3.2912177E-04 10 5.3916631E-02 -1.9335832E-02 8.3997206E-03 3.4239194E-03 -7.9414048E-04 11 1.1795994E-01 -4.4467934E-02 1.9453272E-02 8.0249115E-03 -1.8674096E-03 12 2.2296189E-01 -9.2336230E-02 4.0964465E-02 1.6716292E-02 -3.8762716E-03 13 3.2391234E-01 -1.6253408E-01 7.4253084E-02 3.1040747E-02 -7.2427778E-03 14 2.8416647E-01 -1.8975587E-01 9.1147541E-02 3.7246030E-02 -8.6221021E-03 15 9.8410260E-02 -9.7601774E-03 2.4538592E-03 2.8286112E-03 -7.8394480E-04 16 5.4070316E-03 4.5331421E-01 -3.1842091E-01 -1.4789130E-01 3.5153167E-02 17 8.8012665E-04 5.5080813E-01 -5.6172701E-01 -2.6246080E-01 6.1946942E-02 18 -4.7804055E-04 1.3934842E-01 5.1129181E-02 1.1849312E-02 -1.4419074E-03 19 2.0183493E-04 5.0123140E-03 8.7283839E-01 7.4242731E-01 -1.9639059E-01 20 -1.3148833E-04 8.3512229E-05 3.5838881E-01 3.9641555E-01 -1.0342748E-01 21 7.2915937E-05 4.5098128E-05 -5.6604549E-03 -8.6262068E-01 2.9744427E-01 22 -3.4382445E-05 -1.5941563E-04 9.5090317E-03 -5.5727372E-01 2.9232258E-01 23 1.6327324E-05 6.6004882E-05 -3.7510323E-03 -2.9933214E-02 2.1879538E-02 24 -6.5311087E-06 -2.8405575E-05 1.5291348E-03 -3.5572514E-03 -5.8320392E-01 25 1.7143784E-06 7.8465077E-06 -4.0904366E-04 6.3116904E-04 -5.7634344E-01 26 8.6952784E-06 -2.9270350E-06 1.2600615E-06 5.1780511E-07 -1.2040971E-07 27 6.8536793E-05 -2.3036145E-05 9.9160602E-06 4.0450199E-06 -9.3862296E-07 28 1.9862523E-04 -6.6827508E-05 2.8768104E-05 1.1786730E-05 -2.7385149E-06 29 4.8149108E-04 -1.6188499E-04 6.9687464E-05 2.8427109E-05 -6.5963201E-06 30 1.0667180E-03 -3.5915269E-04 1.5462365E-04 6.3374493E-05 -1.4725856E-05 31 2.2137281E-03 -7.4523958E-04 3.2086823E-04 1.3082439E-04 -3.0352374E-05 32 4.3464511E-03 -1.4681481E-03 6.3235530E-04 2.5938435E-04 -6.0284323E-05 33 8.0994760E-03 -2.7451325E-03 1.1830982E-03 4.8202293E-04 -1.1180692E-04 34 1.4325922E-02 -4.9155615E-03 2.1219372E-03 8.7175456E-04 -2.0268719E-04 35 2.3789028E-02 -8.3363309E-03 3.6101607E-03 1.4700996E-03 -3.4090009E-04 36 3.6186870E-02 -1.3338419E-02 5.8177516E-03 2.3992966E-03 -5.5831853E-04 37 4.7566741E-02 -1.9280453E-02 8.5301131E-03 3.4783649E-03 -8.0647038E-04 38 4.8191638E-02 -2.3707604E-02 1.0805114E-02 4.5154785E-03 -1.0535659E-03 39 2.9562537E-02 -1.9411263E-02 9.3100590E-03 3.8033989E-03 -8.8041333E-04 40 7.1695870E-03 -8.0270754E-04 2.4605643E-04 2.3306123E-04 -6.3268673E-05 41 2.7537366E-04 2.2603309E-02 -1.5828343E-02 -7.3484035E-03 1.7466048E-03 42 3.1239020E-05 1.9238642E-02 -1.9574141E-02 -9.1433127E-03 2.1579477E-03 43 -1.1815201E-05 3.3829163E-03 1.2244534E-03 2.7747682E-04 -3.2549694E-05 44 3.4488711E-06 8.4017549E-05 1.4551819E-02 1.2371588E-02 -3.2723944E-03 45 -1.5221089E-06 7.7515863E-07 4.0646068E-03 4.4946132E-03 -1.1727585E-03 46 5.6417984E-07 4.3527835E-07 -4.3083017E-05 -6.5404533E-03 2.2550795E-03 47 -1.7435745E-07 -8.4022461E-07 4.7357782E-05 -2.7703934E-03 1.4531425E-03 48 5.2888066E-08 2.3209385E-07 -1.1972296E-05 -9.5278828E-05 6.9640440E-05 49 -1.3127672E-08 -6.5339084E-08 3.0436170E-06 -7.0443454E-06 -1.1557663E-03 50 2.0639913E-09 1.2009202E-08 -4.9280938E-07 7.5323382E-07 -6.8928016E-04 2P- 3P- 4P- -1.1759602E+02 -2.0165733E+01 -2.4489276E+00 ------------ ------------ ------------ 1 -8.2609273E-05 -3.6767317E-05 -1.4149652E-05 2 -1.8518540E-04 -8.2447018E-05 -3.1736489E-05 3 -5.7095060E-04 -2.5445103E-04 -9.7925771E-05 4 -1.6615273E-03 -7.4212470E-04 -2.8592716E-04 5 -5.5574642E-03 -2.4949971E-03 -9.6104681E-04 6 -1.9239108E-02 -8.7191297E-03 -3.3690857E-03 7 -6.1981847E-02 -2.8689173E-02 -1.1107679E-02 8 -1.6335241E-01 -7.8554814E-02 -3.0687945E-02 9 -3.1333062E-01 -1.5944405E-01 -6.2784871E-02 10 -3.7403755E-01 -1.9597575E-01 -7.8111042E-02 11 -2.1088637E-01 -1.0629150E-02 7.8598039E-03 12 -3.9655661E-02 3.6684788E-01 1.9208523E-01 13 -2.3396344E-03 5.2445825E-01 3.2318825E-01 14 1.4703166E-05 2.0737939E-01 -4.1482053E-03 15 -2.3710121E-05 1.2396738E-02 -5.4693105E-01 16 5.7736830E-05 2.0130350E-03 -4.8648505E-01 17 -3.2791329E-06 -2.0358704E-04 -1.1247475E-01 18 -1.7948931E-05 -8.0005282E-06 -3.0769037E-06 19 -5.8609669E-05 -2.6135751E-05 -1.0074007E-05 20 -1.9833072E-04 -8.8622532E-05 -3.4091217E-05 21 -6.3389217E-04 -2.8368987E-04 -1.0940526E-04 22 -1.8858667E-03 -8.4784459E-04 -3.2655123E-04 23 -4.9800629E-03 -2.2582872E-03 -8.7283429E-04 24 -1.1255374E-02 -5.2115549E-03 -2.0177256E-03 25 -2.0416200E-02 -9.8227206E-03 -3.8377797E-03 26 -2.7106368E-02 -1.3807322E-02 -5.4375677E-03 27 -2.2663458E-02 -1.1901103E-02 -4.7456998E-03 28 -8.9856753E-03 -4.4059824E-04 3.4292447E-04 29 -1.1365890E-03 1.1278235E-02 5.9008216E-03 30 5.6730150E-06 1.1452359E-02 7.0545456E-03 31 2.8931951E-05 3.1860809E-03 -6.0494490E-05 32 2.4735776E-05 1.3314163E-04 -5.7943096E-03 33 6.6096807E-06 1.4788967E-05 -3.4679711E-03 34 1.2692840E-05 -7.6923779E-08 -5.1969237E-04 2P+ 3P+ 4P+ -1.1225203E+02 -1.9214816E+01 -2.2975604E+00 ------------ ------------ ------------ 1 -1.2402365E-06 -5.5649082E-07 -2.1304955E-07 2 -9.9760732E-06 -4.4795398E-06 -1.7235226E-06 3 -7.8325467E-05 -3.5213864E-05 -1.3495543E-05 4 -5.2682800E-04 -2.3720321E-04 -9.1230027E-05 5 -2.9957318E-03 -1.3538481E-03 -5.1964507E-04 6 -1.3929870E-02 -6.3485613E-03 -2.4460682E-03 7 -5.2006331E-02 -2.4176248E-02 -9.3270481E-03 8 -1.4881121E-01 -7.1840555E-02 -2.7969916E-02 9 -3.0227356E-01 -1.5437622E-01 -6.0564067E-02 10 -3.8119709E-01 -2.0359249E-01 -8.1094738E-02 11 -2.3002998E-01 -3.7404382E-02 -4.6235696E-03 12 -4.7793306E-02 3.4110532E-01 1.7715696E-01 13 -2.8746436E-03 5.3582365E-01 3.2766855E-01 14 -3.5184104E-05 2.3181771E-01 3.2880549E-02 15 -4.8785795E-06 1.6334514E-02 -5.2454876E-01 16 5.5071312E-05 2.2580820E-03 -5.0857393E-01 17 -1.2671894E-06 -2.0684283E-04 -1.3275627E-01 18 -3.1562975E-06 -1.4143937E-06 -5.3980919E-07 19 -1.8688698E-05 -8.3730375E-06 -3.2246633E-06 20 -9.5357760E-05 -4.2750629E-05 -1.6366688E-05 21 -3.9957566E-04 -1.7933804E-04 -6.8952636E-05 22 -1.4085045E-03 -6.3445904E-04 -2.4335891E-04 23 -4.1320374E-03 -1.8772577E-03 -7.2293777E-04 24 -1.0001344E-02 -4.6356038E-03 -1.7874282E-03 25 -1.9086152E-02 -9.1900646E-03 -3.5764758E-03 26 -2.6516492E-02 -1.3512501E-02 -5.2991821E-03 27 -2.3340257E-02 -1.2445145E-02 -4.9561938E-03 28 -9.9628557E-03 -1.6291168E-03 -2.0647447E-04 29 -1.4722655E-03 1.0476198E-02 5.4388250E-03 30 -6.3029640E-05 1.1695288E-02 7.1496270E-03 31 -4.4556479E-07 3.5593752E-03 5.0569859E-04 32 -9.6625253E-08 1.7312779E-04 -5.5596447E-03 33 4.1141064E-07 1.6137134E-05 -3.6260903E-03 34 -1.1124239E-08 -9.6791266E-07 -6.1501345E-04 3D- 4D- -1.2366953E+01 -4.3416380E-01 ------------ ------------ 1 -2.8786491E-04 -8.7209755E-05 2 -1.7555357E-03 -5.3124166E-04 3 -1.0610757E-02 -3.2321744E-03 4 -4.4220958E-02 -1.3533929E-02 5 -1.3263442E-01 -4.1242764E-02 6 -2.6876584E-01 -8.3306951E-02 7 -3.6311123E-01 -1.0771205E-01 8 -3.0174349E-01 -6.1247256E-02 9 -1.1168023E-01 1.3105033E-01 10 -1.3497722E-02 3.3949161E-01 11 -9.3347012E-04 3.9768668E-01 12 -3.5394806E-04 2.8886264E-01 13 -1.1003185E-04 1.0006365E-01 14 -8.7362830E-05 -2.6487213E-05 15 -3.9386241E-04 -1.1916668E-04 16 -1.5626322E-03 -4.7603046E-04 17 -4.3619887E-03 -1.3349768E-03 18 -8.9348194E-03 -2.7784160E-03 19 -1.2643323E-02 -3.9194584E-03 20 -1.2092946E-02 -3.5878703E-03 21 -7.1470852E-03 -1.4514082E-03 22 -1.8675929E-03 2.1956653E-03 23 -1.5559320E-04 3.9547742E-03 24 -6.5147591E-06 3.1330783E-03 25 -1.5695336E-06 1.4806106E-03 26 -2.1946409E-07 3.1748714E-04 3D+ 4D+ -1.2181679E+01 -4.1778753E-01 ------------ ------------ 1 1.8972661E-04 -5.7023044E-05 2 1.4985834E-03 -4.4950874E-04 3 9.7487085E-03 -2.9437842E-03 4 4.2340105E-02 -1.2845182E-02 5 1.2939040E-01 -3.9881980E-02 6 2.6537595E-01 -8.1618824E-02 7 3.6269971E-01 -1.0695156E-01 8 3.0588918E-01 -6.3495617E-02 9 1.1539621E-01 1.2449562E-01 10 1.4253015E-02 3.3300560E-01 11 9.7040207E-04 3.9761655E-01 12 3.7174448E-04 2.9601353E-01 13 1.2112240E-04 1.0849603E-01 14 7.5699173E-05 -2.2745405E-05 15 3.6216994E-04 -1.0858710E-04 16 1.4825153E-03 -4.4751773E-04 17 4.2236866E-03 -1.2809784E-03 18 8.7629538E-03 -2.7002695E-03 19 1.2516726E-02 -3.8487922E-03 20 1.2098916E-02 -3.5670753E-03 21 7.2545579E-03 -1.5059881E-03 22 1.9344854E-03 2.0859857E-03 23 1.6612662E-04 3.8796022E-03 24 7.6361280E-06 3.1327146E-03 25 1.9096282E-06 1.5173498E-03 26 3.8312416E-07 3.4427962E-04 ******************** PALLADIUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1594112295E+09 0.1000000000E+01 0.1000000000E+01 2 0.3653200184E+08 0.1000000000E+01 0.1000000000E+01 3 0.9290400255E+07 0.1000000000E+01 0.1000000000E+01 4 0.2601885155E+07 0.1000000000E+01 0.1000000000E+01 5 0.7963810466E+06 0.1000000000E+01 0.1000000000E+01 6 0.2643742490E+06 0.1000000000E+01 0.1000000000E+01 7 0.9446461946E+05 0.1000000000E+01 0.1000000000E+01 8 0.3605432342E+05 0.1000000000E+01 0.1000000000E+01 9 0.1458713536E+05 0.1000000000E+01 0.1000000000E+01 10 0.6208597661E+04 0.1000000000E+01 0.1000000000E+01 11 0.2758761853E+04 0.1000000000E+01 0.1000000000E+01 12 0.1270043066E+04 0.1000000000E+01 0.1000000000E+01 13 0.6011634570E+03 0.1000000000E+01 0.1000000000E+01 14 0.2903507408E+03 0.1000000000E+01 0.1000000000E+01 15 0.1420024680E+03 0.1000000000E+01 0.1000000000E+01 16 0.6979073714E+02 0.1000000000E+01 0.1000000000E+01 17 0.3420699832E+02 0.1000000000E+01 0.1000000000E+01 18 0.1659333896E+02 0.1000000000E+01 0.1000000000E+01 19 0.7905704745E+01 0.1000000000E+01 0.1000000000E+01 20 0.3671315714E+01 0.1000000000E+01 0.1000000000E+01 21 0.1649162921E+01 0.1000000000E+01 0.1000000000E+01 22 0.7111356099E+00 0.1000000000E+01 0.1000000000E+01 23 0.2921290027E+00 0.1000000000E+01 0.1000000000E+01 24 0.1134531767E+00 0.1000000000E+01 0.1000000000E+01 25 0.4133945335E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.9621519759E+06 0.1000000000E+01 0.1000000000E+01 2 0.1927135005E+06 0.1000000000E+01 0.1000000000E+01 3 0.4595249932E+05 0.1000000000E+01 0.1000000000E+01 4 0.1281404505E+05 0.1000000000E+01 0.1000000000E+01 5 0.4104828775E+04 0.1000000000E+01 0.1000000000E+01 6 0.1483840139E+04 0.1000000000E+01 0.1000000000E+01 7 0.5945851134E+03 0.1000000000E+01 0.1000000000E+01 8 0.2594342886E+03 0.1000000000E+01 0.1000000000E+01 9 0.1210817595E+03 0.1000000000E+01 0.1000000000E+01 10 0.5937719198E+02 0.1000000000E+01 0.1000000000E+01 11 0.3005396319E+02 0.1000000000E+01 0.1000000000E+01 12 0.1542327442E+02 0.1000000000E+01 0.1000000000E+01 13 0.7883076506E+01 0.1000000000E+01 0.1000000000E+01 14 0.3941947133E+01 0.1000000000E+01 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-1.2057614E-02 4.9108866E-03 28 -9.3069406E-03 -7.1868926E-04 -2.3398892E-04 29 -1.2938042E-03 1.1146987E-02 -5.9941266E-03 30 3.7321287E-06 1.2037820E-02 -7.5597191E-03 31 3.0114213E-05 3.6597747E-03 -3.8462891E-04 32 2.8598604E-05 1.8184103E-04 6.0966050E-03 33 7.3257122E-06 1.5965775E-05 3.8271189E-03 34 1.4388526E-05 -1.4800244E-07 5.4700193E-04 2P+ 3P+ 4P+ -1.1874554E+02 -2.0764083E+01 -2.6353270E+00 ------------ ------------ ------------ 1 -1.1899178E-06 5.3788592E-07 2.1056541E-07 2 -1.0013897E-05 4.5317897E-06 1.7804953E-06 3 -8.0725185E-05 3.6568905E-05 1.4328121E-05 4 -5.5301669E-04 2.5096810E-04 9.8594657E-05 5 -3.1646241E-03 1.4414331E-03 5.6555283E-04 6 -1.4641326E-02 6.7285668E-03 2.6487587E-03 7 -5.3823806E-02 2.5239569E-02 9.9553425E-03 8 -1.5061373E-01 7.3387266E-02 2.9203964E-02 9 -2.9922718E-01 1.5416307E-01 6.1862453E-02 10 -3.7375780E-01 2.0128226E-01 8.1940311E-02 11 -2.3082786E-01 4.3848548E-02 7.8621091E-03 12 -5.2112069E-02 -3.2040809E-01 -1.7122409E-01 13 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1.0852591E-06 6.5233551E-04 3D- 4D- -1.3650989E+01 -6.2501534E-01 ------------ ------------ 1 2.2562101E-04 -7.3266467E-05 2 1.3912759E-03 -4.5200776E-04 3 8.6237648E-03 -2.8157377E-03 4 3.7381185E-02 -1.2273849E-02 5 1.1641385E-01 -3.8773235E-02 6 2.4826980E-01 -8.2982685E-02 7 3.5422037E-01 -1.1378640E-01 8 3.2101792E-01 -8.0755995E-02 9 1.3766606E-01 1.0419650E-01 10 2.0258378E-02 3.3445060E-01 11 1.3243253E-03 4.1493036E-01 12 3.9793779E-04 2.9258384E-01 13 1.1134570E-04 8.7925310E-02 14 7.1692010E-05 -2.3292419E-05 15 3.3552352E-04 -1.0899930E-04 16 1.3730917E-03 -4.4834524E-04 17 3.9891866E-03 -1.3098183E-03 18 8.4844365E-03 -2.8259497E-03 19 1.2648394E-02 -4.2282156E-03 20 1.2810487E-02 -4.1159139E-03 21 8.2941019E-03 -2.0873974E-03 22 2.5276026E-03 1.9160994E-03 23 2.5898397E-04 4.3104343E-03 24 1.0571789E-05 3.6512423E-03 25 1.9690763E-06 1.6936150E-03 26 2.2350981E-07 3.1895508E-04 3D+ 4D+ -1.3442256E+01 -6.0457211E-01 ------------ ------------ 1 -1.3948877E-04 4.5012243E-05 2 -1.1574245E-03 3.7352927E-04 3 -7.8283147E-03 2.5387911E-03 4 -3.5574626E-02 1.1602135E-02 5 -1.1320031E-01 3.7446336E-02 6 -2.4461546E-01 8.1279174E-02 7 -3.5315544E-01 1.1296716E-01 8 -3.2481495E-01 8.2825918E-02 9 -1.4194524E-01 -9.7757608E-02 10 -2.1378608E-02 -3.2778780E-01 11 -1.3826419E-03 -4.1495870E-01 12 -4.2133426E-04 -2.9998586E-01 13 -1.2125238E-04 -9.4793158E-02 14 -6.1043511E-05 1.9690735E-05 15 -3.0550812E-04 9.8550036E-05 16 -1.2948073E-03 4.1975304E-04 17 -3.8479900E-03 1.2545255E-03 18 -8.3014315E-03 2.7452449E-03 19 -1.2500362E-02 4.1525062E-03 20 -1.2795354E-02 4.0921731E-03 21 -8.4036616E-03 2.1428556E-03 22 -2.6120844E-03 -1.7977418E-03 23 -2.7567396E-04 -4.2250493E-03 24 -1.2164391E-05 -3.6517581E-03 25 -2.4411548E-06 -1.7365839E-03 26 -4.3930074E-07 -3.4392614E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -9.0041842E+02 -1.3478415E+02 -2.5880089E+01 -4.1601867E+00 -2.6806728E-01 ------------ ------------ ------------ 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1.6936151E-03 26 2.2350972E-07 3.1895513E-04 3D+ 4D+ -1.3442256E+01 -6.0457204E-01 ------------ ------------ 1 -1.3948877E-04 4.5012241E-05 2 -1.1574244E-03 3.7352926E-04 3 -7.8283145E-03 2.5387910E-03 4 -3.5574625E-02 1.1602135E-02 5 -1.1320031E-01 3.7446334E-02 6 -2.4461545E-01 8.1279172E-02 7 -3.5315544E-01 1.1296716E-01 8 -3.2481495E-01 8.2825919E-02 9 -1.4194524E-01 -9.7757601E-02 10 -2.1378609E-02 -3.2778779E-01 11 -1.3826422E-03 -4.1495869E-01 12 -4.2133417E-04 -2.9998587E-01 13 -1.2125255E-04 -9.4793174E-02 14 -6.1043510E-05 1.9690735E-05 15 -3.0550811E-04 9.8550032E-05 16 -1.2948073E-03 4.1975303E-04 17 -3.8479899E-03 1.2545254E-03 18 -8.3014314E-03 2.7452448E-03 19 -1.2500362E-02 4.1525061E-03 20 -1.2795354E-02 4.0921730E-03 21 -8.4036616E-03 2.1428556E-03 22 -2.6120845E-03 -1.7977417E-03 23 -2.7567397E-04 -4.2250492E-03 24 -1.2164393E-05 -3.6517580E-03 25 -2.4411544E-06 -1.7365839E-03 26 -4.3930128E-07 -3.4392619E-04 ___________________ SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1568006564E+09 0.1000000000E+01 0.1000000000E+01 2 0.3549218306E+08 0.1000000000E+01 0.1000000000E+01 3 0.8924411199E+07 0.1000000000E+01 0.1000000000E+01 4 0.2473743195E+07 0.1000000000E+01 0.1000000000E+01 5 0.7501083322E+06 0.1000000000E+01 0.1000000000E+01 6 0.2469186314E+06 0.1000000000E+01 0.1000000000E+01 7 0.8756093370E+05 0.1000000000E+01 0.1000000000E+01 8 0.3319400960E+05 0.1000000000E+01 0.1000000000E+01 9 0.1334959260E+05 0.1000000000E+01 0.1000000000E+01 10 0.5651990606E+04 0.1000000000E+01 0.1000000000E+01 11 0.2499920110E+04 0.1000000000E+01 0.1000000000E+01 12 0.1146326324E+04 0.1000000000E+01 0.1000000000E+01 13 0.5407717486E+03 0.1000000000E+01 0.1000000000E+01 14 0.2604410722E+03 0.1000000000E+01 0.1000000000E+01 15 0.1270752176E+03 0.1000000000E+01 0.1000000000E+01 16 0.6233533741E+02 0.1000000000E+01 0.1000000000E+01 17 0.3050675321E+02 0.1000000000E+01 0.1000000000E+01 18 0.1478127993E+02 0.1000000000E+01 0.1000000000E+01 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-1.1439650E-02 5.3337800E-03 -2.0946994E-03 25 -2.0771162E-02 1.0060342E-02 -3.9878758E-03 26 -2.7689475E-02 1.4196657E-02 -5.6720722E-03 27 -2.3377382E-02 1.2369515E-02 -5.0075740E-03 28 -9.4497269E-03 6.9751940E-04 2.5755319E-04 29 -1.2314062E-03 -1.1566164E-02 6.1728327E-03 30 7.6050640E-06 -1.1942314E-02 7.4991469E-03 31 3.1602876E-05 -3.3223923E-03 -1.4227364E-04 32 2.7168717E-05 -1.3834363E-04 -6.0979102E-03 33 7.2876274E-06 -1.5746352E-05 -3.5469224E-03 34 1.3818105E-05 4.7660044E-09 -5.1182725E-04 2P+ 3P+ 4P+ -1.1856764E+02 -2.0586266E+01 -2.4871204E+00 ------------ ------------ ------------ 1 1.1992984E-06 -5.4219707E-07 2.1049025E-07 2 9.6891172E-06 -4.3836787E-06 1.7107139E-06 3 7.6151010E-05 -3.4498307E-05 1.3407410E-05 4 5.1338254E-04 -2.3291933E-04 9.0860926E-05 5 2.9252459E-03 -1.3321188E-03 5.1852133E-04 6 1.3630385E-02 -6.2590669E-03 2.4460281E-03 7 5.0973236E-02 -2.3870770E-02 9.3395102E-03 8 1.4627578E-01 -7.1116717E-02 2.8086731E-02 9 2.9873560E-01 -1.5362089E-01 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3.7289131E-03 -4.8475256E-04 32 -1.0517762E-07 1.8167154E-04 5.8489924E-03 33 -4.1966478E-07 1.7280756E-05 3.7235677E-03 34 3.4326017E-09 -9.4516806E-07 6.1212914E-04 3D- 4D- -1.3475099E+01 -4.7958361E-01 ------------ ------------ 1 -2.6466541E-04 8.2916245E-05 2 -1.5517252E-03 4.8573716E-04 3 -9.3635398E-03 2.9494685E-03 4 -3.9669880E-02 1.2555586E-02 5 -1.2261296E-01 3.9412580E-02 6 -2.5918567E-01 8.3355658E-02 7 -3.6501508E-01 1.1266799E-01 8 -3.1471007E-01 6.9535658E-02 9 -1.1924481E-01 -1.3136581E-01 10 -1.4209474E-02 -3.4959158E-01 11 -1.0838113E-03 -4.0112761E-01 12 -3.6353947E-04 -2.8159614E-01 13 -1.2531754E-04 -9.1681652E-02 14 -8.2242290E-05 2.5785145E-05 15 -3.6501266E-04 1.1424220E-04 16 -1.4574072E-03 4.5910701E-04 17 -4.1535780E-03 1.3145991E-03 18 -8.7750076E-03 2.8207420E-03 19 -1.2941407E-02 4.1626047E-03 20 -1.2876505E-02 3.9753295E-03 21 -7.8740593E-03 1.7406582E-03 22 -2.0998005E-03 -2.3176378E-03 23 -1.7181344E-04 -4.2745397E-03 24 -7.9802052E-06 -3.3067913E-03 25 -1.6611832E-06 -1.5062550E-03 26 -2.6866176E-07 -3.0293537E-04 3D+ 4D+ -1.3266131E+01 -4.5940436E-01 ------------ ------------ 1 1.6820026E-04 5.2247593E-05 2 1.3044640E-03 4.0455598E-04 3 8.5269814E-03 2.6611639E-03 4 3.7810022E-02 1.1856329E-02 5 1.1931592E-01 3.7995505E-02 6 2.5553627E-01 8.1497528E-02 7 3.6426538E-01 1.1170229E-01 8 3.1894961E-01 7.1801613E-02 9 1.2328242E-01 -1.2428574E-01 10 1.5034637E-02 -3.4263206E-01 11 1.1250131E-03 -4.0124214E-01 12 3.8383021E-04 -2.8950438E-01 13 1.3852839E-04 -1.0038240E-01 14 7.0485065E-05 2.1887541E-05 15 3.3338959E-04 1.0334570E-04 16 1.3763649E-03 4.2938361E-04 17 4.0099269E-03 1.2569790E-03 18 8.5904116E-03 2.7347434E-03 19 1.2796719E-02 4.0802292E-03 20 1.2872911E-02 3.9467404E-03 21 7.9910609E-03 1.7990239E-03 22 2.1764343E-03 -2.1928903E-03 23 1.8393152E-04 -4.1899072E-03 24 9.2688890E-06 -3.3079602E-03 25 2.0561096E-06 -1.5486565E-03 26 4.5692012E-07 -3.3172838E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 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24 9.2688888E-06 -3.3079602E-03 25 2.0561098E-06 -1.5486565E-03 26 4.5692010E-07 -3.3172843E-04 ____________________ SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1718569821E+09 0.1000000000E+01 0.1000000000E+01 2 0.3869939731E+08 0.1000000000E+01 0.1000000000E+01 3 0.9756676216E+07 0.1000000000E+01 0.1000000000E+01 4 0.2732309697E+07 0.1000000000E+01 0.1000000000E+01 5 0.8432531311E+06 0.1000000000E+01 0.1000000000E+01 6 0.2845480924E+06 0.1000000000E+01 0.1000000000E+01 7 0.1041580259E+06 0.1000000000E+01 0.1000000000E+01 8 0.4103352404E+05 0.1000000000E+01 0.1000000000E+01 9 0.1726090556E+05 0.1000000000E+01 0.1000000000E+01 10 0.7691954179E+04 0.1000000000E+01 0.1000000000E+01 11 0.3602697694E+04 0.1000000000E+01 0.1000000000E+01 12 0.1759570387E+04 0.1000000000E+01 0.1000000000E+01 13 0.8890840636E+03 0.1000000000E+01 0.1000000000E+01 14 0.4611115861E+03 0.1000000000E+01 0.1000000000E+01 15 0.2435375539E+03 0.1000000000E+01 0.1000000000E+01 16 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7.8628300E-05 3.5620397E-05 -1.3763941E-05 4 5.4181992E-04 2.4582855E-04 -9.5350739E-05 5 3.1152601E-03 1.4188818E-03 -5.4912697E-04 6 1.4472840E-02 6.6491247E-03 -2.5839478E-03 7 5.3426887E-02 2.5048122E-02 -9.7451328E-03 8 1.5023570E-01 7.3167982E-02 -2.8744098E-02 9 3.0005375E-01 1.5457900E-01 -6.1164631E-02 10 3.7597606E-01 2.0233077E-01 -8.1375751E-02 11 2.3074438E-01 4.1495695E-02 -6.3186644E-03 12 5.0470732E-02 -3.3222613E-01 1.7462901E-01 13 2.9821598E-03 -5.4053265E-01 3.3484360E-01 14 1.0456620E-04 -2.3779866E-01 3.2664435E-02 15 -4.8607635E-05 -1.6483767E-02 -5.3591516E-01 16 -4.0138807E-05 -2.3603475E-03 -5.0431192E-01 17 -6.0647035E-06 1.5013926E-04 -1.2829779E-01 18 2.9362234E-06 1.3257605E-06 -5.0992235E-07 19 1.8447310E-05 8.3268221E-06 -3.2345379E-06 20 9.7430495E-05 4.4009876E-05 -1.6986187E-05 21 4.1717535E-04 1.8864902E-04 -7.3148356E-05 22 1.4831116E-03 6.7318836E-04 -2.6034439E-04 23 4.3433237E-03 1.9888227E-03 -7.7247836E-04 24 1.0408318E-02 4.8646066E-03 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2.9932209E-03 19 1.3425127E-02 4.0506565E-03 20 1.2245474E-02 3.5235683E-03 21 6.3999044E-03 8.3923151E-04 22 1.3078828E-03 -2.9047185E-03 23 7.6821718E-05 -3.9754774E-03 24 1.5504491E-06 -2.7594807E-03 25 2.4747654E-07 -1.2557129E-03 26 -2.8471170E-08 -2.9470413E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -9.0009781E+02 -1.3444792E+02 -2.5542437E+01 -3.8419950E+00 ------------ ------------ ------------ ------------ 1 -4.6117173E-06 -1.5582360E-06 6.7439066E-07 -2.7776710E-07 2 -2.7195707E-05 -9.2006579E-06 3.9842291E-06 -1.6411497E-06 3 -7.5721330E-05 -2.5670945E-05 1.1115424E-05 -4.5786221E-06 4 -2.0160510E-04 -6.8559798E-05 2.9713864E-05 -1.2241356E-05 5 -5.0781658E-04 -1.7339873E-04 7.5141608E-05 -3.0957302E-05 6 -1.2707178E-03 -4.3609028E-04 1.8929635E-04 -7.8006987E-05 7 -3.1284974E-03 -1.0795545E-03 4.6830864E-04 -1.9298157E-04 8 -7.5578475E-03 -2.6269911E-03 1.1429878E-03 -4.7120584E-04 9 -1.7638489E-02 -6.1931496E-03 2.6911367E-03 -1.1093963E-03 10 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-1.2748437E-02 -3.8523581E-03 4 -5.1786357E-02 -1.5705972E-02 5 -1.5131428E-01 -4.6761796E-02 6 -2.9390684E-01 -8.9797177E-02 7 -3.7575227E-01 -1.0919178E-01 8 -2.7340104E-01 -3.3235949E-02 9 -7.8016195E-02 1.8871559E-01 10 -6.5258472E-03 3.6617099E-01 11 -1.9148947E-04 3.7309079E-01 12 -5.0974388E-05 2.5669081E-01 13 9.8574464E-06 9.0614797E-02 14 -1.0800819E-04 -3.2492480E-05 15 -4.7515702E-04 -1.4219569E-04 16 -1.8424256E-03 -5.5681502E-04 17 -5.0177689E-03 -1.5217586E-03 18 -1.0008314E-02 -3.0931639E-03 19 -1.3546983E-02 -4.1396238E-03 20 -1.2209855E-02 -3.5489140E-03 21 -6.2775447E-03 -7.6376205E-04 22 -1.2524854E-03 3.0386732E-03 23 -7.0711423E-05 4.0534985E-03 24 -6.4946245E-07 2.7546677E-03 25 -3.1101836E-08 1.2127322E-03 26 1.3428187E-07 2.5989449E-04 3D+ 4D+ -1.3110129E+01 -3.1951918E-01 ------------ ------------ 1 2.4155735E-04 7.1701443E-05 2 1.8515389E-03 5.4664955E-04 3 1.1732592E-02 3.4979464E-03 4 4.9628210E-02 1.4847746E-02 5 1.4770587E-01 4.5032919E-02 6 2.9052621E-01 8.7678577E-02 7 3.7623362E-01 1.0827759E-01 8 2.7833392E-01 3.6481007E-02 9 8.1181964E-02 -1.8037599E-01 10 6.9335368E-03 -3.5908675E-01 11 2.1205175E-04 -3.7371955E-01 12 5.1083534E-05 -2.6577252E-01 13 -9.2879781E-06 -1.0274093E-01 14 9.3649104E-05 2.7792685E-05 15 4.3700876E-04 1.2895605E-04 16 1.7483062E-03 5.2105545E-04 17 4.8600951E-03 1.4535332E-03 18 9.8204384E-03 2.9932208E-03 19 1.3425127E-02 4.0506564E-03 20 1.2245474E-02 3.5235682E-03 21 6.3999044E-03 8.3923156E-04 22 1.3078828E-03 -2.9047183E-03 23 7.6821722E-05 -3.9754774E-03 24 1.5504493E-06 -2.7594807E-03 25 2.4747653E-07 -1.2557129E-03 26 -2.8471169E-08 -2.9470414E-04 ******************** SILVER SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1510571056E+09 0.1000000000E+01 0.1000000000E+01 2 0.3451946817E+08 0.1000000000E+01 0.1000000000E+01 3 0.8767365077E+07 0.1000000000E+01 0.1000000000E+01 4 0.2455766579E+07 0.1000000000E+01 0.1000000000E+01 5 0.7527469722E+06 0.1000000000E+01 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-1.5761260E-01 -6.4242036E-02 10 -3.6797703E-01 -1.9582516E-01 -8.0829424E-02 11 -2.1838399E-01 -2.5964322E-02 9.7239079E-04 12 -4.6265127E-02 3.4130983E-01 1.8690005E-01 13 -2.7573912E-03 5.3046656E-01 3.3867562E-01 14 -7.5125384E-05 2.3049619E-01 2.4554920E-02 15 3.6242778E-05 1.6503995E-02 -5.4840565E-01 16 4.5921014E-05 2.1587609E-03 -5.0372458E-01 17 1.5160800E-06 -2.2171511E-04 -1.1037408E-01 18 -1.9052705E-05 -8.6082025E-06 -3.4246559E-06 19 -6.3503189E-05 -2.8714621E-05 -1.1444071E-05 20 -2.1464875E-04 -9.7236536E-05 -3.8695429E-05 21 -6.8446908E-04 -3.1068782E-04 -1.2390514E-04 22 -2.0237035E-03 -9.2263081E-04 -3.6762107E-04 23 -5.2962834E-03 -2.4364969E-03 -9.7403210E-04 24 -1.1819705E-02 -5.5511274E-03 -2.2237647E-03 25 -2.1179351E-02 -1.0336552E-02 -4.1787741E-03 26 -2.7963483E-02 -1.4432381E-02 -5.8833135E-03 27 -2.3742608E-02 -1.2665501E-02 -5.2305601E-03 28 -9.9829429E-03 -1.1813394E-03 4.9539811E-05 29 -1.4413310E-03 1.1346313E-02 6.2073013E-03 30 2.8997555E-06 1.2609912E-02 8.0470990E-03 31 3.3223468E-05 3.8766465E-03 4.1648809E-04 32 3.1366847E-05 1.9433303E-04 -6.3841302E-03 33 8.0147424E-06 1.7459935E-05 -3.9521406E-03 34 1.5768515E-05 -1.0042176E-07 -5.6019944E-04 2P+ 3P+ 4P+ -1.2524449E+02 -2.2185609E+01 -2.8385935E+00 ------------ ------------ ------------ 1 1.1407616E-06 5.1928007E-07 -2.0576050E-07 2 9.5418381E-06 4.3498926E-06 -1.7307750E-06 3 7.6483985E-05 3.4894534E-05 -1.3839928E-05 4 5.2299875E-04 2.3908852E-04 -9.5117140E-05 5 2.9958137E-03 1.3742162E-03 -5.4583255E-04 6 1.3917845E-02 6.4409017E-03 -2.5674808E-03 7 5.1493912E-02 2.4299446E-02 -9.7023148E-03 8 1.4560379E-01 7.1359689E-02 -2.8754307E-02 9 2.9358356E-01 1.5202982E-01 -6.1752690E-02 10 3.7479774E-01 2.0353056E-01 -8.3986773E-02 11 2.3898750E-01 5.4280738E-02 -1.2654786E-02 12 5.6167312E-02 -3.1191185E-01 1.6961172E-01 13 3.5540379E-03 -5.4018261E-01 3.4203868E-01 14 1.3461997E-04 -2.5820651E-01 6.5508520E-02 15 -6.1361038E-05 -2.1869109E-02 -5.2175867E-01 16 -4.2399182E-05 -2.4072672E-03 -5.2855959E-01 17 -4.0691791E-06 2.1150969E-04 -1.3235989E-01 18 2.9282786E-06 1.3306975E-06 -5.2576017E-07 19 1.8327013E-05 8.3370752E-06 -3.3199553E-06 20 9.6575324E-05 4.3924711E-05 -1.7402903E-05 21 4.1343842E-04 1.8835802E-04 -7.4904566E-05 22 1.4708611E-03 6.7227363E-04 -2.6682457E-04 23 4.3179939E-03 1.9913623E-03 -7.9334157E-04 24 1.0384801E-02 4.8844682E-03 -1.9490871E-03 25 1.9665292E-02 9.6100155E-03 -3.8704476E-03 26 2.7271614E-02 1.4087654E-02 -5.7197884E-03 27 2.4462898E-02 1.3259649E-02 -5.4703302E-03 28 1.1114191E-02 2.5327769E-03 -5.9494627E-04 29 1.8714646E-03 -1.0356043E-02 5.6289011E-03 30 8.4819808E-05 -1.2834531E-02 8.1236717E-03 31 2.1621749E-06 -4.3401529E-03 1.1019664E-03 32 -6.6802875E-07 -2.5475912E-04 -6.0770963E-03 33 -3.5229435E-07 -1.8935588E-05 -4.1478503E-03 34 -1.5281495E-08 1.0884124E-06 -6.7393889E-04 3D- 4D- -1.4807454E+01 -6.8117187E-01 ------------ ------------ 1 2.5555685E-04 8.5227497E-05 2 1.5315239E-03 5.1087596E-04 3 9.2628399E-03 3.1070266E-03 4 3.9145515E-02 1.3204722E-02 5 1.1950333E-01 4.0924156E-02 6 2.5055112E-01 8.6009194E-02 7 3.5402131E-01 1.1678912E-01 8 3.1679437E-01 7.9480965E-02 9 1.3299373E-01 -1.1412205E-01 10 1.9264953E-02 -3.4246464E-01 11 1.3250002E-03 -4.1209576E-01 12 4.4167654E-04 -2.8292557E-01 13 1.1459585E-04 -8.1905173E-02 14 8.1052850E-05 2.7047320E-05 15 3.7035157E-04 1.2352697E-04 16 1.4843254E-03 4.9791314E-04 17 4.2261164E-03 1.4255613E-03 18 8.8506050E-03 3.0310276E-03 19 1.3026920E-02 4.4725332E-03 20 1.3115915E-02 4.3277634E-03 21 8.4134245E-03 2.1119240E-03 22 2.5169169E-03 -2.1635822E-03 23 2.5430893E-04 -4.5615033E-03 24 1.0862451E-05 -3.7549864E-03 25 2.2840839E-06 -1.6981601E-03 26 2.2840943E-07 -3.0832078E-04 3D+ 4D+ -1.4572900E+01 -6.5652804E-01 ------------ ------------ 1 -1.5782787E-04 -5.2284308E-05 2 -1.2725038E-03 -4.2141187E-04 3 -8.3912293E-03 -2.7942715E-03 4 -3.7209118E-02 -1.2460470E-02 5 -1.1610693E-01 -3.9470193E-02 6 -2.4678832E-01 -8.4181743E-02 7 -3.5304525E-01 -1.1594482E-01 8 -3.2084760E-01 -8.1822546E-02 9 -1.3736642E-01 1.0715517E-01 10 -2.0378162E-02 3.3556445E-01 11 -1.3830571E-03 4.1241303E-01 12 -4.6821977E-04 2.9092957E-01 13 -1.2612162E-04 8.9026382E-02 14 -6.8792109E-05 -2.2779901E-05 15 -3.3649893E-04 -1.1138177E-04 16 -1.3975023E-03 -4.6517154E-04 17 -4.0723950E-03 -1.3632324E-03 18 -8.6543618E-03 -2.9410474E-03 19 -1.2871928E-02 -4.3895537E-03 20 -1.3105024E-02 -4.3029657E-03 21 -8.5334127E-03 -2.1762142E-03 22 -2.6061868E-03 2.0315964E-03 23 -2.7158926E-04 4.4701665E-03 24 -1.2597040E-05 3.7581776E-03 25 -2.8138673E-06 1.7463409E-03 26 -4.7387724E-07 3.3519287E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -9.4333810E+02 -1.4218397E+02 -2.7575718E+01 -4.4502790E+00 -2.7481537E-01 ------------ ------------ ------------ ------------ ------------ 1 6.2747927E-06 -2.1289556E-06 9.2671113E-07 -3.8937384E-07 9.7944380E-08 2 3.2327165E-05 -1.0980327E-05 4.7802731E-06 -2.0064418E-06 5.0450245E-07 3 8.9679661E-05 -3.0536412E-05 1.3298873E-05 -5.5885225E-06 1.4057994E-06 4 2.3924810E-04 -8.1708250E-05 3.5598624E-05 -1.4939417E-05 3.7560179E-06 5 6.1155560E-04 -2.0987247E-04 9.1502043E-05 -3.8479076E-05 9.6816777E-06 6 1.5641439E-03 -5.3936228E-04 2.3530230E-04 -9.8699994E-05 2.4808754E-05 7 3.9755809E-03 -1.3804718E-03 6.0286902E-04 -2.5385561E-04 6.3900092E-05 8 9.9881139E-03 -3.4931031E-03 1.5268924E-03 -6.3991642E-04 1.6077861E-04 9 2.4389282E-02 -8.6516941E-03 3.7899032E-03 -1.5992138E-03 4.0282446E-04 10 5.6623297E-02 -2.0549858E-02 9.0304613E-03 -3.7816656E-03 9.4963079E-04 11 1.2085274E-01 -4.6147039E-02 2.0434067E-02 -8.6603075E-03 2.1840860E-03 12 2.2307710E-01 -9.3636399E-02 4.2041755E-02 -1.7625173E-02 4.4236607E-03 13 3.1790803E-01 -1.6126767E-01 7.4615974E-02 -3.2066981E-02 8.1147764E-03 14 2.7822521E-01 -1.8581961E-01 9.0218466E-02 -3.7862906E-02 9.4738883E-03 15 9.9866579E-02 -1.3511390E-02 4.4275503E-03 -3.7661691E-03 1.1369126E-03 16 6.3622019E-03 4.3232878E-01 -3.0631746E-01 1.4654959E-01 -3.7886730E-02 17 8.3864612E-04 5.5484637E-01 -5.6357183E-01 2.7123005E-01 -6.9290285E-02 18 -4.5005865E-04 1.5802470E-01 -4.1970478E-03 1.8896215E-02 -7.0016108E-03 19 1.8744952E-04 5.5022057E-03 8.6860280E-01 -7.5397649E-01 2.1801671E-01 20 -1.2529049E-04 6.8027638E-04 3.9717148E-01 -4.5409318E-01 1.2917084E-01 21 6.9346233E-05 -3.0321087E-04 -3.3994799E-03 8.6510279E-01 -3.2540532E-01 22 -3.2158709E-05 1.1030565E-05 1.0341838E-02 5.8286459E-01 -3.4688454E-01 23 1.5191148E-05 -1.6083050E-05 -4.0996291E-03 2.9034417E-02 2.8209231E-02 24 -6.0212066E-06 4.5352054E-06 1.6699082E-03 3.4872978E-03 6.4163334E-01 25 1.5783562E-06 -1.0876302E-06 -4.3972863E-04 -9.9289256E-04 5.0597781E-01 26 9.9989815E-06 -3.3917284E-06 1.4764340E-06 -6.2282702E-07 1.5690854E-07 27 7.9372125E-05 -2.6889118E-05 1.1701528E-05 -4.9037750E-06 1.2322788E-06 28 2.2923197E-04 -7.7725566E-05 3.3830806E-05 -1.4233291E-05 3.5821158E-06 29 5.5207766E-04 -1.8709238E-04 8.1422185E-05 -3.4120482E-05 8.5740630E-06 30 1.2128111E-03 -4.1154995E-04 1.7915225E-04 -7.5401092E-05 1.8978956E-05 31 2.4923250E-03 -8.4582096E-04 3.6817144E-04 -1.5420704E-04 3.8742471E-05 32 4.8383622E-03 -1.6475991E-03 7.1759043E-04 -3.0226653E-04 7.6104960E-05 33 8.9042981E-03 -3.0439181E-03 1.3263441E-03 -5.5512205E-04 1.3942056E-04 34 1.5529935E-02 -5.3768697E-03 2.3475361E-03 -9.9049645E-04 2.4952260E-04 35 2.5399252E-02 -8.9900825E-03 3.9371474E-03 -1.6469395E-03 4.1345463E-04 36 3.8006327E-02 -1.4162573E-02 6.2508357E-03 -2.6483458E-03 6.6790897E-04 37 4.9181852E-02 -2.0166818E-02 9.0272480E-03 -3.7814546E-03 9.4891624E-04 38 4.9261845E-02 -2.4455229E-02 1.1285691E-02 -4.8483256E-03 1.2268625E-03 39 3.0373874E-02 -1.9916489E-02 9.6539453E-03 -4.0503645E-03 1.0134139E-03 40 7.6906439E-03 -1.1382611E-03 4.1483118E-04 -3.2041778E-04 9.4973456E-05 41 3.4490958E-04 2.2888306E-02 -1.6161231E-02 7.7282092E-03 -1.9978423E-03 42 3.1895488E-05 2.0719636E-02 -2.0990300E-02 1.0098659E-02 -2.5797323E-03 43 -1.2009989E-05 4.1274349E-03 -1.2605537E-04 5.0373510E-04 -1.8549353E-04 44 3.4874258E-06 9.9706164E-05 1.5662238E-02 -1.3587753E-02 3.9286869E-03 45 -1.5870727E-06 8.2500263E-06 4.8969785E-03 -5.5968856E-03 1.5921949E-03 46 5.9081495E-07 -2.4345382E-06 -2.8347966E-05 7.1614770E-03 -2.6935209E-03 47 -1.8097490E-07 1.9612682E-08 5.6449965E-05 3.1750518E-03 -1.8894493E-03 48 5.5050644E-08 -3.7249987E-08 -1.4381318E-05 1.0154294E-04 9.8611388E-05 49 -1.3705792E-08 2.0174947E-09 3.6598007E-06 7.5993059E-06 1.3994132E-03 50 2.2012962E-09 8.7002413E-10 -5.8391018E-07 -1.3056110E-06 6.6636244E-04 2P- 3P- 4P- -1.3171995E+02 -2.3365406E+01 -3.0370464E+00 ------------ ------------ ------------ 1 -8.5354141E-05 -3.8512517E-05 -1.5328616E-05 2 -2.0141233E-04 -9.0908548E-05 -3.6189775E-05 3 -6.1613801E-04 -2.7836338E-04 -1.1080171E-04 4 -1.7819110E-03 -8.0696180E-04 -3.2152486E-04 5 -5.8332056E-03 -2.6552275E-03 -1.0579832E-03 6 -1.9777132E-02 -9.0915813E-03 -3.6335060E-03 7 -6.2390240E-02 -2.9289372E-02 -1.1733350E-02 8 -1.6134635E-01 -7.8701768E-02 -3.1812512E-02 9 -3.0571781E-01 -1.5761260E-01 -6.4242037E-02 10 -3.6797703E-01 -1.9582516E-01 -8.0829424E-02 11 -2.1838399E-01 -2.5964328E-02 9.7238528E-04 12 -4.6265127E-02 3.4130983E-01 1.8690006E-01 13 -2.7573926E-03 5.3046656E-01 3.3867562E-01 14 -7.5124684E-05 2.3049620E-01 2.4554950E-02 15 3.6242452E-05 1.6503997E-02 -5.4840571E-01 16 4.5921103E-05 2.1587602E-03 -5.0372452E-01 17 1.5160627E-06 -2.2171518E-04 -1.1037411E-01 18 -1.9052646E-05 -8.6081760E-06 -3.4246454E-06 19 -6.3503214E-05 -2.8714632E-05 -1.1444075E-05 20 -2.1464874E-04 -9.7236535E-05 -3.8695429E-05 21 -6.8446908E-04 -3.1068782E-04 -1.2390514E-04 22 -2.0237034E-03 -9.2263080E-04 -3.6762107E-04 23 -5.2962833E-03 -2.4364969E-03 -9.7403209E-04 24 -1.1819705E-02 -5.5511273E-03 -2.2237647E-03 25 -2.1179351E-02 -1.0336552E-02 -4.1787741E-03 26 -2.7963482E-02 -1.4432381E-02 -5.8833136E-03 27 -2.3742608E-02 -1.2665501E-02 -5.2305601E-03 28 -9.9829430E-03 -1.1813396E-03 4.9539583E-05 29 -1.4413311E-03 1.1346313E-02 6.2073015E-03 30 2.8997839E-06 1.2609912E-02 8.0470989E-03 31 3.3223446E-05 3.8766466E-03 4.1648859E-04 32 3.1366859E-05 1.9433307E-04 -6.3841309E-03 33 8.0147364E-06 1.7459926E-05 -3.9521401E-03 34 1.5768516E-05 -1.0042124E-07 -5.6019958E-04 2P+ 3P+ 4P+ -1.2524448E+02 -2.2185608E+01 -2.8385928E+00 ------------ ------------ ------------ 1 1.1407464E-06 5.1927315E-07 -2.0575775E-07 2 9.5418421E-06 4.3498945E-06 -1.7307758E-06 3 7.6483978E-05 3.4894531E-05 -1.3839927E-05 4 5.2299875E-04 2.3908852E-04 -9.5117141E-05 5 2.9958136E-03 1.3742161E-03 -5.4583256E-04 6 1.3917845E-02 6.4409016E-03 -2.5674808E-03 7 5.1493911E-02 2.4299446E-02 -9.7023148E-03 8 1.4560379E-01 7.1359688E-02 -2.8754307E-02 9 2.9358356E-01 1.5202982E-01 -6.1752691E-02 10 3.7479774E-01 2.0353056E-01 -8.3986774E-02 11 2.3898750E-01 5.4280741E-02 -1.2654791E-02 12 5.6167314E-02 -3.1191185E-01 1.6961173E-01 13 3.5540378E-03 -5.4018261E-01 3.4203868E-01 14 1.3461994E-04 -2.5820652E-01 6.5508552E-02 15 -6.1360921E-05 -2.1869111E-02 -5.2175873E-01 16 -4.2399273E-05 -2.4072662E-03 -5.2855952E-01 17 -4.0691637E-06 2.1150973E-04 -1.3235993E-01 18 2.9282185E-06 1.3306702E-06 -5.2574935E-07 19 1.8327018E-05 8.3370777E-06 -3.3199563E-06 20 9.6575315E-05 4.3924707E-05 -1.7402901E-05 21 4.1343842E-04 1.8835802E-04 -7.4904566E-05 22 1.4708611E-03 6.7227362E-04 -2.6682457E-04 23 4.3179938E-03 1.9913622E-03 -7.9334157E-04 24 1.0384800E-02 4.8844681E-03 -1.9490871E-03 25 1.9665292E-02 9.6100154E-03 -3.8704476E-03 26 2.7271614E-02 1.4087654E-02 -5.7197885E-03 27 2.4462898E-02 1.3259650E-02 -5.4703303E-03 28 1.1114191E-02 2.5327770E-03 -5.9494651E-04 29 1.8714647E-03 -1.0356043E-02 5.6289013E-03 30 8.4819806E-05 -1.2834531E-02 8.1236716E-03 31 2.1621753E-06 -4.3401530E-03 1.1019669E-03 32 -6.6802854E-07 -2.5475915E-04 -6.0770971E-03 33 -3.5229419E-07 -1.8935579E-05 -4.1478498E-03 34 -1.5281632E-08 1.0884125E-06 -6.7393906E-04 3D- 4D- -1.4807453E+01 -6.8117114E-01 ------------ ------------ 1 2.5555684E-04 8.5227491E-05 2 1.5315239E-03 5.1087591E-04 3 9.2628397E-03 3.1070263E-03 4 3.9145514E-02 1.3204721E-02 5 1.1950333E-01 4.0924153E-02 6 2.5055112E-01 8.6009188E-02 7 3.5402131E-01 1.1678912E-01 8 3.1679437E-01 7.9480962E-02 9 1.3299373E-01 -1.1412203E-01 10 1.9264954E-02 -3.4246463E-01 11 1.3249994E-03 -4.1209572E-01 12 4.4167648E-04 -2.8292554E-01 13 1.1459619E-04 -8.1905347E-02 14 8.1052848E-05 2.7047318E-05 15 3.7035156E-04 1.2352696E-04 16 1.4843254E-03 4.9791311E-04 17 4.2261163E-03 1.4255612E-03 18 8.8506048E-03 3.0310274E-03 19 1.3026920E-02 4.4725329E-03 20 1.3115915E-02 4.3277632E-03 21 8.4134245E-03 2.1119239E-03 22 2.5169170E-03 -2.1635819E-03 23 2.5430894E-04 -4.5615032E-03 24 1.0862444E-05 -3.7549860E-03 25 2.2840835E-06 -1.6981599E-03 26 2.2841072E-07 -3.0832143E-04 3D+ 4D+ -1.4572899E+01 -6.5652730E-01 ------------ ------------ 1 -1.5782786E-04 -5.2284303E-05 2 -1.2725037E-03 -4.2141183E-04 3 -8.3912291E-03 -2.7942713E-03 4 -3.7209117E-02 -1.2460469E-02 5 -1.1610693E-01 -3.9470190E-02 6 -2.4678832E-01 -8.4181737E-02 7 -3.5304525E-01 -1.1594481E-01 8 -3.2084760E-01 -8.1822542E-02 9 -1.3736643E-01 1.0715516E-01 10 -2.0378163E-02 3.3556444E-01 11 -1.3830563E-03 4.1241299E-01 12 -4.6821959E-04 2.9092954E-01 13 -1.2612205E-04 8.9026578E-02 14 -6.8792107E-05 -2.2779899E-05 15 -3.3649892E-04 -1.1138176E-04 16 -1.3975022E-03 -4.6517150E-04 17 -4.0723949E-03 -1.3632323E-03 18 -8.6543616E-03 -2.9410472E-03 19 -1.2871928E-02 -4.3895534E-03 20 -1.3105024E-02 -4.3029654E-03 21 -8.5334127E-03 -2.1762141E-03 22 -2.6061869E-03 2.0315961E-03 23 -2.7158928E-04 4.4701663E-03 24 -1.2597033E-05 3.7581772E-03 25 -2.8138663E-06 1.7463407E-03 26 -4.7387886E-07 3.3519361E-04 ____________________ SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1559462084E+09 0.1000000000E+01 0.1000000000E+01 2 0.3582872462E+08 0.1000000000E+01 0.1000000000E+01 3 0.9133497564E+07 0.1000000000E+01 0.1000000000E+01 4 0.2563655536E+07 0.1000000000E+01 0.1000000000E+01 5 0.7862606781E+06 0.1000000000E+01 0.1000000000E+01 6 0.2614720790E+06 0.1000000000E+01 0.1000000000E+01 7 0.9356286402E+05 0.1000000000E+01 0.1000000000E+01 8 0.3574939241E+05 0.1000000000E+01 0.1000000000E+01 9 0.1447399236E+05 0.1000000000E+01 0.1000000000E+01 10 0.6162118925E+04 0.1000000000E+01 0.1000000000E+01 11 0.2737545972E+04 0.1000000000E+01 0.1000000000E+01 12 0.1259360077E+04 0.1000000000E+01 0.1000000000E+01 13 0.5953373404E+03 0.1000000000E+01 0.1000000000E+01 14 0.2869911945E+03 0.1000000000E+01 0.1000000000E+01 15 0.1400018628E+03 0.1000000000E+01 0.1000000000E+01 16 0.6858456622E+02 0.1000000000E+01 0.1000000000E+01 17 0.3348219058E+02 0.1000000000E+01 0.1000000000E+01 18 0.1616455540E+02 0.1000000000E+01 0.1000000000E+01 19 0.7658498685E+01 0.1000000000E+01 0.1000000000E+01 20 0.3533629767E+01 0.1000000000E+01 0.1000000000E+01 21 0.1575663656E+01 0.1000000000E+01 0.1000000000E+01 22 0.6738117933E+00 0.1000000000E+01 0.1000000000E+01 23 0.2742293036E+00 0.1000000000E+01 0.1000000000E+01 24 0.1054039346E+00 0.1000000000E+01 0.1000000000E+01 25 0.3796951417E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.1048135411E+07 0.1000000000E+01 0.1000000000E+01 2 0.2099389035E+06 0.1000000000E+01 0.1000000000E+01 3 0.5005810437E+05 0.1000000000E+01 0.1000000000E+01 4 0.1395666187E+05 0.1000000000E+01 0.1000000000E+01 5 0.4469244718E+04 0.1000000000E+01 0.1000000000E+01 6 0.1614551395E+04 0.1000000000E+01 0.1000000000E+01 7 0.6463302926E+03 0.1000000000E+01 0.1000000000E+01 8 0.2816188921E+03 0.1000000000E+01 0.1000000000E+01 9 0.1311877960E+03 0.1000000000E+01 0.1000000000E+01 10 0.6417549111E+02 0.1000000000E+01 0.1000000000E+01 11 0.3238238405E+02 0.1000000000E+01 0.1000000000E+01 12 0.1655510842E+02 0.1000000000E+01 0.1000000000E+01 13 0.8422840376E+01 0.1000000000E+01 0.1000000000E+01 14 0.4188978975E+01 0.1000000000E+01 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0.9008563911E+00 0.1000000000E+01 0.1000000000E+01 17 0.3758311859E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.2346979016E+04 0.1000000000E+01 0.1000000000E+01 2 0.7895659183E+03 0.1000000000E+01 0.1000000000E+01 3 0.3002116891E+03 0.1000000000E+01 0.1000000000E+01 4 0.1262181656E+03 0.1000000000E+01 0.1000000000E+01 5 0.5740718302E+02 0.1000000000E+01 0.1000000000E+01 6 0.2763476398E+02 0.1000000000E+01 0.1000000000E+01 7 0.1377480561E+02 0.1000000000E+01 0.1000000000E+01 8 0.6955853675E+01 0.1000000000E+01 0.1000000000E+01 9 0.3481333914E+01 0.1000000000E+01 0.1000000000E+01 10 0.1689531345E+01 0.1000000000E+01 0.1000000000E+01 11 0.7778703174E+00 0.1000000000E+01 0.1000000000E+01 12 0.3324019509E+00 0.1000000000E+01 0.1000000000E+01 13 0.1289823814E+00 0.1000000000E+01 0.1000000000E+01 D+ 1 0.2346979016E+04 0.1000000000E+01 0.1000000000E+01 2 0.7895659183E+03 0.1000000000E+01 0.1000000000E+01 3 0.3002116891E+03 0.1000000000E+01 0.1000000000E+01 4 0.1262181656E+03 0.1000000000E+01 0.1000000000E+01 5 0.5740718302E+02 0.1000000000E+01 0.1000000000E+01 6 0.2763476398E+02 0.1000000000E+01 0.1000000000E+01 7 0.1377480561E+02 0.1000000000E+01 0.1000000000E+01 8 0.6955853675E+01 0.1000000000E+01 0.1000000000E+01 9 0.3481333914E+01 0.1000000000E+01 0.1000000000E+01 10 0.1689531345E+01 0.1000000000E+01 0.1000000000E+01 11 0.7778703174E+00 0.1000000000E+01 0.1000000000E+01 12 0.3324019509E+00 0.1000000000E+01 0.1000000000E+01 13 0.1289823814E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 4 3 3 2 2 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+ 5S+ -9.4315587E+02 -1.4199255E+02 -2.7384427E+01 -4.2741628E+00 -2.3696617E-01 ------------ ------------ ------------ ------------ ------------ 1 5.0682632E-06 1.7195346E-06 7.4830540E-07 3.1276272E-07 6.9906520E-08 2 3.2039742E-05 1.0881714E-05 4.7369691E-06 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-1.4619839E+01 -5.2566291E-01 ------------ ------------ 1 2.6851035E-04 8.6253753E-05 2 1.6145234E-03 5.1757598E-04 3 9.8602969E-03 3.1850876E-03 4 4.2021221E-02 1.3632780E-02 5 1.2911592E-01 4.2611158E-02 6 2.6778307E-01 8.8194978E-02 7 3.6782200E-01 1.1612283E-01 8 3.0415643E-01 6.2649298E-02 9 1.0861070E-01 -1.4887200E-01 10 1.2238059E-02 -3.5591787E-01 11 4.4537018E-04 -3.9237905E-01 12 4.2097709E-05 -2.6847419E-01 13 -3.6180838E-06 -8.6737934E-02 14 8.4713728E-05 2.7243139E-05 15 3.8645619E-04 1.2385826E-04 16 1.5596731E-03 5.0385689E-04 17 4.4592709E-03 1.4466731E-03 18 9.3514903E-03 3.0863610E-03 19 1.3530190E-02 4.4568708E-03 20 1.3148937E-02 4.1520932E-03 21 7.7334389E-03 1.5938888E-03 22 1.9511823E-03 -2.6803808E-03 23 1.5146955E-04 -4.4651947E-03 24 2.7512629E-06 -3.3404614E-03 25 -7.6051560E-08 -1.4941311E-03 26 -1.7866098E-07 -3.0067300E-04 3D+ 4D+ -1.4385004E+01 -5.0121213E-01 ------------ ------------ 1 -1.6737347E-04 5.3296121E-05 2 -1.3459929E-03 4.2715634E-04 3 -8.9520643E-03 2.8631934E-03 4 -3.9993689E-02 1.2846118E-02 5 -1.2557194E-01 4.1028589E-02 6 -2.6401324E-01 8.6183351E-02 7 -3.6735662E-01 1.1518783E-01 8 -3.0875932E-01 6.5390548E-02 9 -1.1260025E-01 -1.4118944E-01 10 -1.3004739E-02 -3.4890843E-01 11 -4.7659535E-04 -3.9294973E-01 12 -4.5459731E-05 -2.7686517E-01 13 3.6272617E-06 -9.5813820E-02 14 -7.2058410E-05 2.2938957E-05 15 -3.5151115E-04 1.1149316E-04 16 -1.4698423E-03 4.6991874E-04 17 -4.3003302E-03 1.3807522E-03 18 -9.1506810E-03 2.9888631E-03 19 -1.3379971E-02 4.3665461E-03 20 -1.3156469E-02 4.1244955E-03 21 -7.8620569E-03 1.6652699E-03 22 -2.0287179E-03 -2.5423352E-03 23 -1.6325846E-04 -4.3777820E-03 24 -4.0471912E-06 -3.3455753E-03 25 -2.5766980E-07 -1.5409412E-03 26 1.3968765E-08 -3.3218620E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -9.4315607E+02 -1.4199257E+02 -2.7384431E+01 -4.2741635E+00 -2.3696624E-01 ------------ ------------ ------------ ------------ ------------ 1 -5.9073576E-06 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32 6.5279323E-07 -2.3091179E-04 -6.0728564E-03 33 3.5683116E-07 -1.9327638E-05 -4.0174654E-03 34 2.3472448E-08 8.6912551E-07 -6.6825469E-04 3D- 4D- -1.4619838E+01 -5.2566285E-01 ------------ ------------ 1 2.6851034E-04 8.6253750E-05 2 1.6145233E-03 5.1757596E-04 3 9.8602967E-03 3.1850875E-03 4 4.2021220E-02 1.3632780E-02 5 1.2911591E-01 4.2611157E-02 6 2.6778307E-01 8.8194976E-02 7 3.6782200E-01 1.1612282E-01 8 3.0415643E-01 6.2649300E-02 9 1.0861070E-01 -1.4887200E-01 10 1.2238060E-02 -3.5591787E-01 11 4.4537021E-04 -3.9237905E-01 12 4.2097701E-05 -2.6847420E-01 13 -3.6180733E-06 -8.6737948E-02 14 8.4713726E-05 2.7243138E-05 15 3.8645618E-04 1.2385826E-04 16 1.5596731E-03 5.0385687E-04 17 4.4592708E-03 1.4466731E-03 18 9.3514902E-03 3.0863609E-03 19 1.3530190E-02 4.4568708E-03 20 1.3148937E-02 4.1520932E-03 21 7.7334390E-03 1.5938888E-03 22 1.9511823E-03 -2.6803806E-03 23 1.5146956E-04 -4.4651947E-03 24 2.7512631E-06 -3.3404614E-03 25 -7.6051596E-08 -1.4941311E-03 26 -1.7866094E-07 -3.0067305E-04 3D+ 4D+ -1.4385003E+01 -5.0121208E-01 ------------ ------------ 1 -1.6737346E-04 5.3296119E-05 2 -1.3459929E-03 4.2715632E-04 3 -8.9520641E-03 2.8631933E-03 4 -3.9993688E-02 1.2846117E-02 5 -1.2557193E-01 4.1028588E-02 6 -2.6401324E-01 8.6183349E-02 7 -3.6735662E-01 1.1518782E-01 8 -3.0875932E-01 6.5390550E-02 9 -1.1260025E-01 -1.4118944E-01 10 -1.3004740E-02 -3.4890842E-01 11 -4.7659533E-04 -3.9294973E-01 12 -4.5459752E-05 -2.7686517E-01 13 3.6272861E-06 -9.5813835E-02 14 -7.2058408E-05 2.2938956E-05 15 -3.5151114E-04 1.1149316E-04 16 -1.4698423E-03 4.6991873E-04 17 -4.3003301E-03 1.3807522E-03 18 -9.1506809E-03 2.9888630E-03 19 -1.3379971E-02 4.3665460E-03 20 -1.3156469E-02 4.1244954E-03 21 -7.8620570E-03 1.6652700E-03 22 -2.0287180E-03 -2.5423350E-03 23 -1.6325847E-04 -4.3777819E-03 24 -4.0471910E-06 -3.3455753E-03 25 -2.5766993E-07 -1.5409412E-03 26 1.3968861E-08 -3.3218625E-04 ******************** CADMIUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP 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-7.0860064E-01 ------------ ------------ 1 1.2107114E-04 4.0795772E-05 2 1.0608745E-03 3.5752749E-04 3 7.3731486E-03 2.4973073E-03 4 3.4209717E-02 1.1656440E-02 5 1.0995867E-01 3.8018163E-02 6 2.3973166E-01 8.3395094E-02 7 3.5040556E-01 1.1758966E-01 8 3.2757127E-01 8.7887332E-02 9 1.4616962E-01 -9.8961547E-02 10 2.2504404E-02 -3.3180231E-01 11 9.4057588E-04 -4.1352135E-01 12 5.4945376E-05 -2.9592145E-01 13 -2.2089454E-06 -9.3580351E-02 14 5.7364006E-05 1.9320313E-05 15 3.0146367E-04 1.0154253E-04 16 1.3070381E-03 4.4249178E-04 17 3.9568872E-03 1.3476899E-03 18 8.6241130E-03 2.9806950E-03 19 1.3132256E-02 4.5669469E-03 20 1.3662484E-02 4.5838205E-03 21 9.1657524E-03 2.4591397E-03 22 2.9247492E-03 -1.9785562E-03 23 3.1715345E-04 -4.6738769E-03 24 9.0827418E-06 -3.9938473E-03 25 3.5176631E-07 -1.8850548E-03 26 -9.3349745E-09 -3.7377405E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -9.8735829E+02 -1.4980366E+02 -2.9321698E+01 -4.7465059E+00 -2.8124116E-01 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