Zn [Ar]4s(2)3d(10) 21s16/14p11/11d Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 30.0 Atomic Mass = 64.0 Nuclear Radius = 9.548695E-05 Speed of Light = 137.0359895 S+ P- P+ D- D+ Number of Closed Shells 4 2 2 1 1 Open Shells 0 0 0 0 0 ENERGIES Total Energy = -1.794612165674882E+03 Mass Energy = -1.794595414737499E+03 Kinetic Energy = 3.623533225179524E+03 Potential Energy = -3.623549976116906E+03 VIRIAL -[+(CORR )]/ = 1.00000000396894 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ P- P+ D- D+ 1.8342854089E+07 o 2.3639231314E+06 o 4.6303224232E+05 o o 1.1459122354E+05 o o 3.3366809443E+04 o o o 1.0949086095E+04 o o o 3.9422349120E+03 o o o 1.5276902225E+03 o o o 6.2813779520E+02 o o o o o 2.7117990545E+02 o o o o o 1.2200849522E+02 o o o o o 5.6211847675E+01 o o o o o 2.6509778952E+01 o o o o o 1.2801066209E+01 o o o o o 6.1076814965E+00 o o o o o 2.8506537202E+00 o o o o o 1.2842045386E+00 o o o o o 5.3899133471E-01 o o o o o 2.0324352120E-01 o o o 8.2813234307E-02 o 3.5445888841E-02 o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 1.8342854089E+07 1.0000000000E+00 1.0000000000E+00 2 2.3639231314E+06 1.0000000000E+00 1.0000000000E+00 3 4.6303224232E+05 1.0000000000E+00 1.0000000000E+00 4 1.1459122354E+05 1.0000000000E+00 1.0000000000E+00 5 3.3366809443E+04 1.0000000000E+00 1.0000000000E+00 6 1.0949086095E+04 1.0000000000E+00 1.0000000000E+00 7 3.9422349120E+03 1.0000000000E+00 1.0000000000E+00 8 1.5276902225E+03 1.0000000000E+00 1.0000000000E+00 9 6.2813779520E+02 1.0000000000E+00 1.0000000000E+00 10 2.7117990545E+02 1.0000000000E+00 1.0000000000E+00 11 1.2200849522E+02 1.0000000000E+00 1.0000000000E+00 12 5.6211847675E+01 1.0000000000E+00 1.0000000000E+00 13 2.6509778952E+01 1.0000000000E+00 1.0000000000E+00 14 1.2801066209E+01 1.0000000000E+00 1.0000000000E+00 15 6.1076814965E+00 1.0000000000E+00 1.0000000000E+00 16 2.8506537202E+00 1.0000000000E+00 1.0000000000E+00 17 1.2842045386E+00 1.0000000000E+00 1.0000000000E+00 18 5.3899133471E-01 1.0000000000E+00 1.0000000000E+00 19 2.0324352120E-01 1.0000000000E+00 1.0000000000E+00 20 8.2813234307E-02 1.0000000000E+00 1.0000000000E+00 21 3.5445888841E-02 1.0000000000E+00 1.0000000000E+00 P- 1 4.6303224232E+05 1.0000000000E+00 1.0000000000E+00 2 1.1459122354E+05 1.0000000000E+00 1.0000000000E+00 3 3.3366809443E+04 1.0000000000E+00 1.0000000000E+00 4 1.0949086095E+04 1.0000000000E+00 1.0000000000E+00 5 3.9422349120E+03 1.0000000000E+00 1.0000000000E+00 6 1.5276902225E+03 1.0000000000E+00 1.0000000000E+00 7 6.2813779520E+02 1.0000000000E+00 1.0000000000E+00 8 2.7117990545E+02 1.0000000000E+00 1.0000000000E+00 9 1.2200849522E+02 1.0000000000E+00 1.0000000000E+00 10 5.6211847675E+01 1.0000000000E+00 1.0000000000E+00 11 2.6509778952E+01 1.0000000000E+00 1.0000000000E+00 12 1.2801066209E+01 1.0000000000E+00 1.0000000000E+00 13 6.1076814965E+00 1.0000000000E+00 1.0000000000E+00 14 2.8506537202E+00 1.0000000000E+00 1.0000000000E+00 15 1.2842045386E+00 1.0000000000E+00 1.0000000000E+00 16 5.3899133471E-01 1.0000000000E+00 1.0000000000E+00 P+ 1 3.3366809443E+04 1.0000000000E+00 1.0000000000E+00 2 1.0949086095E+04 1.0000000000E+00 1.0000000000E+00 3 3.9422349120E+03 1.0000000000E+00 1.0000000000E+00 4 1.5276902225E+03 1.0000000000E+00 1.0000000000E+00 5 6.2813779520E+02 1.0000000000E+00 1.0000000000E+00 6 2.7117990545E+02 1.0000000000E+00 1.0000000000E+00 7 1.2200849522E+02 1.0000000000E+00 1.0000000000E+00 8 5.6211847675E+01 1.0000000000E+00 1.0000000000E+00 9 2.6509778952E+01 1.0000000000E+00 1.0000000000E+00 10 1.2801066209E+01 1.0000000000E+00 1.0000000000E+00 11 6.1076814965E+00 1.0000000000E+00 1.0000000000E+00 12 2.8506537202E+00 1.0000000000E+00 1.0000000000E+00 13 1.2842045386E+00 1.0000000000E+00 1.0000000000E+00 14 5.3899133471E-01 1.0000000000E+00 1.0000000000E+00 D- 1 6.2813779520E+02 1.0000000000E+00 1.0000000000E+00 2 2.7117990545E+02 1.0000000000E+00 1.0000000000E+00 3 1.2200849522E+02 1.0000000000E+00 1.0000000000E+00 4 5.6211847675E+01 1.0000000000E+00 1.0000000000E+00 5 2.6509778952E+01 1.0000000000E+00 1.0000000000E+00 6 1.2801066209E+01 1.0000000000E+00 1.0000000000E+00 7 6.1076814965E+00 1.0000000000E+00 1.0000000000E+00 8 2.8506537202E+00 1.0000000000E+00 1.0000000000E+00 9 1.2842045386E+00 1.0000000000E+00 1.0000000000E+00 10 5.3899133471E-01 1.0000000000E+00 1.0000000000E+00 11 2.0324352120E-01 1.0000000000E+00 1.0000000000E+00 D+ 1 6.2813779520E+02 1.0000000000E+00 1.0000000000E+00 2 2.7117990545E+02 1.0000000000E+00 1.0000000000E+00 3 1.2200849522E+02 1.0000000000E+00 1.0000000000E+00 4 5.6211847675E+01 1.0000000000E+00 1.0000000000E+00 5 2.6509778952E+01 1.0000000000E+00 1.0000000000E+00 6 1.2801066209E+01 1.0000000000E+00 1.0000000000E+00 7 6.1076814965E+00 1.0000000000E+00 1.0000000000E+00 8 2.8506537202E+00 1.0000000000E+00 1.0000000000E+00 9 1.2842045386E+00 1.0000000000E+00 1.0000000000E+00 10 5.3899133471E-01 1.0000000000E+00 1.0000000000E+00 11 2.0324352120E-01 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ -3.5774827E+02 -4.5345883E+01 -5.7997997E+00 -2.9854717E-01 ------------ ------------ ------------ ------------ *** Large-Component *** 1 1.6734815E-05 -5.2827935E-06 -2.0023179E-06 4.0576517E-07 2 7.3178536E-05 -2.3157432E-05 -8.7799649E-06 1.7788570E-06 3 2.8568419E-04 -9.0662353E-05 -3.4385506E-05 6.9700923E-06 4 1.0528104E-03 -3.3508053E-04 -1.2713327E-04 2.5753323E-05 5 3.6630499E-03 -1.1702382E-03 -4.4419523E-04 9.0077252E-05 6 1.1886436E-02 -3.8238789E-03 -1.4527571E-03 2.9423255E-04 7 3.5377624E-02 -1.1569998E-02 -4.4044432E-03 8.9384423E-04 8 9.3930223E-02 -3.1925512E-02 -1.2212855E-02 2.4744992E-03 9 2.0937302E-01 -7.7653390E-02 -3.0033022E-02 6.1113452E-03 10 3.4530790E-01 -1.5440667E-01 -6.1223215E-02 1.2446460E-02 11 3.2678716E-01 -2.0500860E-01 -8.5290230E-02 1.7574512E-02 12 1.1418104E-01 -4.5445715E-02 -1.9996080E-02 3.9204166E-03 13 4.8578414E-03 4.1343891E-01 2.3388336E-01 -4.9417586E-02 14 1.7448640E-03 5.7136298E-01 4.8251868E-01 -1.0990502E-01 15 -8.4300903E-04 1.7147503E-01 7.7722441E-02 -1.1989094E-02 16 3.9933717E-04 6.0540237E-03 -6.3137952E-01 1.6985747E-01 17 -2.3323391E-04 2.4655283E-03 -5.5759752E-01 2.4825659E-01 18 1.0277229E-04 -4.1812085E-04 -7.7945475E-02 8.3151349E-02 19 -5.0007124E-05 2.4778201E-04 2.3361641E-03 -3.7125183E-01 20 2.5092961E-05 -1.2001621E-04 -9.4066809E-04 -5.9447303E-01 21 -7.6375205E-06 3.6304717E-05 2.3504039E-04 -2.0884528E-01 *** Small-Component *** 22 6.1133432E-05 -1.9263166E-05 -7.2995820E-06 1.4794550E-06 23 2.2900347E-04 -7.2163563E-05 -2.7346233E-05 5.5390966E-06 24 6.4167961E-04 -2.0227191E-04 -7.6652241E-05 1.5538730E-05 25 1.5680655E-03 -4.9467529E-04 -1.8748282E-04 3.7967910E-05 26 3.4655833E-03 -1.0959708E-03 -4.1549003E-04 8.4251673E-05 27 7.0654520E-03 -2.2486788E-03 -8.5319582E-04 1.7275959E-04 28 1.3296720E-02 -4.3021941E-03 -1.6356295E-03 3.3189985E-04 29 2.2641499E-02 -7.6168150E-03 -2.9101683E-03 5.8952932E-04 30 3.2906497E-02 -1.2088451E-02 -4.6701097E-03 9.5019803E-04 31 3.5988037E-02 -1.5951787E-02 -6.3188410E-03 1.2844230E-03 32 2.2953557E-02 -1.4291063E-02 -5.9416414E-03 1.2242129E-03 33 5.4546210E-03 -2.1794249E-03 -9.6128975E-04 1.8868092E-04 34 1.5944446E-04 1.3442419E-02 7.5950896E-03 -1.6045110E-03 35 3.9663487E-05 1.2928780E-02 1.0908085E-02 -2.4843803E-03 36 -1.3224416E-05 2.6810506E-03 1.2162158E-03 -1.8791825E-04 37 4.2668481E-06 6.4669613E-05 -6.7369724E-03 1.8122028E-03 38 -1.6668861E-06 1.7658503E-05 -3.9937367E-03 1.7779067E-03 39 4.7266799E-07 -1.9354036E-06 -3.6170430E-04 3.8581675E-04 40 -1.3960264E-07 7.0317606E-07 6.6638325E-06 -1.0577219E-03 41 4.3873142E-08 -2.1663731E-07 -1.7144867E-06 -1.0811325E-03 42 -8.4380844E-09 4.2613061E-08 2.8086185E-07 -2.4848867E-04 2P- 3P- -3.9740040E+01 -3.9576631E+00 ------------ ------------ *** Large-Component *** 1 2.4207139E-05 -9.0756543E-06 2 4.1587168E-05 -1.5582146E-05 3 1.2663537E-04 -4.7545695E-05 4 3.3106715E-04 -1.2406169E-04 5 1.0774695E-03 -4.0608504E-04 6 3.7340485E-03 -1.4057459E-03 7 1.3318266E-02 -5.0722229E-03 8 4.3390266E-02 -1.6708289E-02 9 1.2272230E-01 -4.8918098E-02 10 2.6851045E-01 -1.1140831E-01 11 3.8586352E-01 -1.7111606E-01 12 2.8128047E-01 -8.9000826E-02 13 6.9511504E-02 2.3308599E-01 14 3.4914983E-03 4.9035430E-01 15 1.0128037E-03 3.6389475E-01 16 4.8292234E-05 7.8876672E-02 *** Small-Component *** 17 4.1047591E-06 -1.5464278E-06 18 1.2153226E-05 -4.5368549E-06 19 3.9744604E-05 -1.4993353E-05 20 1.2058020E-04 -4.5122532E-05 21 3.5619535E-04 -1.3447168E-04 22 9.7544439E-04 -3.6714726E-04 23 2.4899845E-03 -9.4855443E-04 24 5.6026640E-03 -2.1574152E-03 25 1.0862134E-02 -4.3303543E-03 26 1.6286555E-02 -6.7596785E-03 27 1.6137025E-02 -7.1602940E-03 28 8.1716183E-03 -2.5895838E-03 29 1.3792015E-03 4.7014356E-03 30 2.9843405E-05 6.7563811E-03 31 4.4532385E-06 3.3651184E-03 32 -9.0390410E-06 4.7330599E-04 2P+ 3P+ -3.8851082E+01 -3.8369856E+00 ------------ ------------ *** Large-Component *** 1 2.5344187E-05 -9.5466307E-06 2 1.1416313E-04 -4.2670345E-05 3 6.2191830E-04 -2.3466793E-04 4 2.8020391E-03 -1.0536125E-03 5 1.1454967E-02 -4.3596008E-03 6 3.9895288E-02 -1.5342945E-02 7 1.1709242E-01 -4.6602515E-02 8 2.6273376E-01 -1.0882429E-01 9 3.8629315E-01 -1.7129367E-01 10 2.8962040E-01 -9.6808224E-02 11 7.4604710E-02 2.2078341E-01 12 3.8933916E-03 4.8713984E-01 13 1.0903850E-03 3.7421559E-01 14 4.5928424E-05 8.6060067E-02 *** Small-Component *** 15 2.9804926E-05 -1.1222282E-05 16 8.6795887E-05 -3.2384435E-05 17 2.9644538E-04 -1.1173588E-04 18 8.5921317E-04 -3.2263325E-04 19 2.2924649E-03 -8.7146652E-04 20 5.3022515E-03 -2.0368028E-03 21 1.0500925E-02 -4.1751642E-03 22 1.6043609E-02 -6.6395654E-03 23 1.6224857E-02 -7.1895015E-03 24 8.4600264E-03 -2.8275857E-03 25 1.5055714E-03 4.4500733E-03 26 5.3703506E-05 6.7103203E-03 27 1.0071001E-05 3.4600902E-03 28 2.7954717E-07 5.1552444E-04 3D- -7.7073378E-01 ------------ *** Large-Component *** 1 2.0335931E-04 2 7.6736374E-04 3 3.9438336E-03 4 1.6118296E-02 5 5.0577336E-02 6 1.2996355E-01 7 2.4854292E-01 8 3.2331325E-01 9 3.1367328E-01 10 2.1396038E-01 11 6.9085883E-02 *** Small-Component *** 12 4.2303952E-05 13 1.1795379E-04 14 4.0948155E-04 15 1.1559147E-03 16 2.5016840E-03 17 4.4796794E-03 18 5.9233300E-03 19 5.2671158E-03 20 3.4303296E-03 21 1.5160507E-03 22 3.0049750E-04 3D+ -7.5457410E-01 ------------ *** Large-Component *** 1 1.6908021E-04 2 7.2340097E-04 3 3.7587180E-03 4 1.5711656E-02 5 4.9699682E-02 6 1.2836887E-01 7 2.4638885E-01 8 3.2204834E-01 9 3.1471040E-01 10 2.1733633E-01 11 7.2202406E-02 *** Small-Component *** 12 3.9760831E-05 13 1.1364026E-04 14 3.9775888E-04 15 1.1332349E-03 16 2.4659420E-03 17 4.4307057E-03 18 5.8767991E-03 19 5.2486484E-03 20 3.4427462E-03 21 1.5403216E-03 22 3.1423107E-04 RADIAL MOMENTS Sym Orb S+ 1 1.88332E+03 3.02320E+01 5.02808E-02 3.40174E-03 2.89866E-04 2.98614E-05 2 1.88944E+02 6.65230E+00 2.24974E-01 5.97745E-02 1.81389E-02 6.22730E-03 3 2.80888E+01 2.08568E+00 6.80474E-01 5.34523E-01 4.71472E-01 4.64129E-01 4 1.29630E+00 4.51093E-01 2.84858E+00 9.54485E+00 3.70336E+01 1.64626E+02 P- 1 6.09298E+01 6.57645E+00 1.95776E-01 4.70803E-02 1.34872E-02 4.50498E-03 2 8.63328E+00 1.94648E+00 7.08453E-01 5.92354E-01 5.67942E-01 6.20233E-01 P+ 1 5.64369E+01 6.42212E+00 1.99118E-01 4.85735E-02 1.40976E-02 4.76768E-03 2 8.01211E+00 1.91116E+00 7.18545E-01 6.09311E-01 5.92617E-01 6.56636E-01 D- 1 3.21580E+00 1.53188E+00 8.75398E-01 1.00727E+00 1.48787E+00 2.74395E+00 D+ 1 3.16463E+00 1.51981E+00 8.83101E-01 1.02615E+00 1.53180E+00 2.85519E+00