V [Ar]4s(2)3d(3) 21s16/14p11/11d Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 23.0 Atomic Mass = 51.0 Nuclear Radius = 8.954030E-05 Speed of Light = 137.0359895 S+ P- P+ D- D+ Number of Closed Shells 4 2 2 0 0 Open Shells 0 0 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.03333333 0.0 0.0 0.0 3.0 0.0 2 0.30000000 0.0 0.0 0.0 2.0 1.0 3 0.50000000 0.0 0.0 0.0 1.0 2.0 4 0.16666667 0.0 0.0 0.0 0.0 3.0 ENERGIES Total Energy = -9.481882594401549E+02 Mass Energy = -9.481838027332390E+02 Kinetic Energy = 1.907290038044324E+03 Potential Energy = -1.907294494751240E+03 VIRIAL -[+(CORR )]/ = 1.00000000357582 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ P- P+ D- D+ 9.5550458573E+06 o 1.1708408846E+06 o 2.2757400145E+05 o o 5.6896464799E+04 o o 1.6810850818E+04 o o o 5.6000549971E+03 o o o 2.0449201216E+03 o o o 8.0274127525E+02 o o o 3.3398734150E+02 o o o o o 1.4570874055E+02 o o o o o 6.6088716859E+01 o o o o o 3.0539109115E+01 o o o o o 1.4347885517E+01 o o o o o 6.8816119380E+00 o o o o o 3.2446187043E+00 o o o o o 1.5105394713E+00 o o o o o 6.8236377087E-01 o o o o o 2.8614099713E-01 o o o o o 1.0901767921E-01 o o o 4.5564866673E-02 o 2.0374294633E-02 o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 9.5550458573E+06 1.0000000000E+00 1.0000000000E+00 2 1.1708408846E+06 1.0000000000E+00 1.0000000000E+00 3 2.2757400145E+05 1.0000000000E+00 1.0000000000E+00 4 5.6896464799E+04 1.0000000000E+00 1.0000000000E+00 5 1.6810850818E+04 1.0000000000E+00 1.0000000000E+00 6 5.6000549971E+03 1.0000000000E+00 1.0000000000E+00 7 2.0449201216E+03 1.0000000000E+00 1.0000000000E+00 8 8.0274127525E+02 1.0000000000E+00 1.0000000000E+00 9 3.3398734150E+02 1.0000000000E+00 1.0000000000E+00 10 1.4570874055E+02 1.0000000000E+00 1.0000000000E+00 11 6.6088716859E+01 1.0000000000E+00 1.0000000000E+00 12 3.0539109115E+01 1.0000000000E+00 1.0000000000E+00 13 1.4347885517E+01 1.0000000000E+00 1.0000000000E+00 14 6.8816119380E+00 1.0000000000E+00 1.0000000000E+00 15 3.2446187043E+00 1.0000000000E+00 1.0000000000E+00 16 1.5105394713E+00 1.0000000000E+00 1.0000000000E+00 17 6.8236377087E-01 1.0000000000E+00 1.0000000000E+00 18 2.8614099713E-01 1.0000000000E+00 1.0000000000E+00 19 1.0901767921E-01 1.0000000000E+00 1.0000000000E+00 20 4.5564866673E-02 1.0000000000E+00 1.0000000000E+00 21 2.0374294633E-02 1.0000000000E+00 1.0000000000E+00 P- 1 2.2757400145E+05 1.0000000000E+00 1.0000000000E+00 2 5.6896464799E+04 1.0000000000E+00 1.0000000000E+00 3 1.6810850818E+04 1.0000000000E+00 1.0000000000E+00 4 5.6000549971E+03 1.0000000000E+00 1.0000000000E+00 5 2.0449201216E+03 1.0000000000E+00 1.0000000000E+00 6 8.0274127525E+02 1.0000000000E+00 1.0000000000E+00 7 3.3398734150E+02 1.0000000000E+00 1.0000000000E+00 8 1.4570874055E+02 1.0000000000E+00 1.0000000000E+00 9 6.6088716859E+01 1.0000000000E+00 1.0000000000E+00 10 3.0539109115E+01 1.0000000000E+00 1.0000000000E+00 11 1.4347885517E+01 1.0000000000E+00 1.0000000000E+00 12 6.8816119380E+00 1.0000000000E+00 1.0000000000E+00 13 3.2446187043E+00 1.0000000000E+00 1.0000000000E+00 14 1.5105394713E+00 1.0000000000E+00 1.0000000000E+00 15 6.8236377087E-01 1.0000000000E+00 1.0000000000E+00 16 2.8614099713E-01 1.0000000000E+00 1.0000000000E+00 P+ 1 1.6810850818E+04 1.0000000000E+00 1.0000000000E+00 2 5.6000549971E+03 1.0000000000E+00 1.0000000000E+00 3 2.0449201216E+03 1.0000000000E+00 1.0000000000E+00 4 8.0274127525E+02 1.0000000000E+00 1.0000000000E+00 5 3.3398734150E+02 1.0000000000E+00 1.0000000000E+00 6 1.4570874055E+02 1.0000000000E+00 1.0000000000E+00 7 6.6088716859E+01 1.0000000000E+00 1.0000000000E+00 8 3.0539109115E+01 1.0000000000E+00 1.0000000000E+00 9 1.4347885517E+01 1.0000000000E+00 1.0000000000E+00 10 6.8816119380E+00 1.0000000000E+00 1.0000000000E+00 11 3.2446187043E+00 1.0000000000E+00 1.0000000000E+00 12 1.5105394713E+00 1.0000000000E+00 1.0000000000E+00 13 6.8236377087E-01 1.0000000000E+00 1.0000000000E+00 14 2.8614099713E-01 1.0000000000E+00 1.0000000000E+00 D- 1 3.3398734150E+02 1.0000000000E+00 1.0000000000E+00 2 1.4570874055E+02 1.0000000000E+00 1.0000000000E+00 3 6.6088716859E+01 1.0000000000E+00 1.0000000000E+00 4 3.0539109115E+01 1.0000000000E+00 1.0000000000E+00 5 1.4347885517E+01 1.0000000000E+00 1.0000000000E+00 6 6.8816119380E+00 1.0000000000E+00 1.0000000000E+00 7 3.2446187043E+00 1.0000000000E+00 1.0000000000E+00 8 1.5105394713E+00 1.0000000000E+00 1.0000000000E+00 9 6.8236377087E-01 1.0000000000E+00 1.0000000000E+00 10 2.8614099713E-01 1.0000000000E+00 1.0000000000E+00 11 1.0901767921E-01 1.0000000000E+00 1.0000000000E+00 D+ 1 3.3398734150E+02 1.0000000000E+00 1.0000000000E+00 2 1.4570874055E+02 1.0000000000E+00 1.0000000000E+00 3 6.6088716859E+01 1.0000000000E+00 1.0000000000E+00 4 3.0539109115E+01 1.0000000000E+00 1.0000000000E+00 5 1.4347885517E+01 1.0000000000E+00 1.0000000000E+00 6 6.8816119380E+00 1.0000000000E+00 1.0000000000E+00 7 3.2446187043E+00 1.0000000000E+00 1.0000000000E+00 8 1.5105394713E+00 1.0000000000E+00 1.0000000000E+00 9 6.8236377087E-01 1.0000000000E+00 1.0000000000E+00 10 2.8614099713E-01 1.0000000000E+00 1.0000000000E+00 11 1.0901767921E-01 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ -2.0297013E+02 -2.4184332E+01 -3.2408445E+00 -2.3452460E-01 ------------ ------------ ------------ ------------ *** Large-Component *** 1 1.1892585E-05 -3.5879209E-06 -1.3004269E-06 2.9906832E-07 2 5.9947708E-05 -1.8119778E-05 -6.5681933E-06 1.5098526E-06 3 2.6426342E-04 -8.0014003E-05 -2.9014649E-05 6.6756195E-06 4 1.0595665E-03 -3.2140190E-04 -1.1653988E-04 2.6778462E-05 5 3.8719026E-03 -1.1779752E-03 -4.2743028E-04 9.8398492E-05 6 1.2864605E-02 -3.9418419E-03 -1.4307810E-03 3.2863087E-04 7 3.8548358E-02 -1.2020255E-02 -4.3742864E-03 1.0079906E-03 8 1.0160643E-01 -3.3031538E-02 -1.2068775E-02 2.7722553E-03 9 2.2164289E-01 -7.9060612E-02 -2.9225705E-02 6.7556213E-03 10 3.5181975E-01 -1.5315172E-01 -5.7914420E-02 1.3334740E-02 11 3.1298118E-01 -1.9446027E-01 -7.7205240E-02 1.8110507E-02 12 9.9865359E-02 -3.0825536E-02 -1.2600796E-02 2.5759411E-03 13 3.9888961E-03 4.0510277E-01 2.0855746E-01 -4.9347266E-02 14 1.5671828E-03 5.6910803E-01 4.5631497E-01 -1.1878665E-01 15 -6.6331726E-04 1.7379694E-01 1.1934765E-01 -2.3702593E-02 16 2.9411905E-04 3.8509881E-03 -6.1297104E-01 1.8121567E-01 17 -1.9001718E-04 3.2212161E-03 -5.8736087E-01 3.0750173E-01 18 8.1870077E-05 -7.9826483E-04 -7.8942492E-02 8.7750650E-02 19 -4.1711801E-05 4.3722396E-04 3.2747252E-03 -5.0906166E-01 20 2.1770062E-05 -2.2510007E-04 -1.2198522E-03 -5.8141615E-01 21 -6.7563628E-06 6.9689326E-05 3.1254726E-04 -1.0129792E-01 *** Small-Component *** 22 5.2045289E-05 -1.5674730E-05 -5.6803971E-06 1.3066222E-06 23 1.9148402E-04 -5.7675673E-05 -2.0897568E-05 4.8024802E-06 24 5.3377293E-04 -1.6081440E-04 -5.8284184E-05 1.3411445E-05 25 1.2927101E-03 -3.8981375E-04 -1.4124843E-04 3.2448643E-05 26 2.8349915E-03 -8.5704403E-04 -3.1076563E-04 7.1541948E-05 27 5.7353537E-03 -1.7460824E-03 -6.3331507E-04 1.4544017E-04 28 1.0696505E-02 -3.3145539E-03 -1.2053729E-03 2.7774940E-04 29 1.7959146E-02 -5.8040374E-03 -2.1192390E-03 4.8674349E-04 30 2.5501366E-02 -9.0470795E-03 -3.3424434E-03 7.7257639E-04 31 2.6870162E-02 -1.1638759E-02 -4.3989633E-03 1.0127796E-03 32 1.6139548E-02 -9.9846561E-03 -3.9628388E-03 9.2955135E-04 33 3.5040630E-03 -1.0865470E-03 -4.4508937E-04 9.1165993E-05 34 9.5956953E-05 9.6935538E-03 4.9872911E-03 -1.1799400E-03 35 2.6028493E-05 9.4384566E-03 7.5639228E-03 -1.9689354E-03 36 -7.5526414E-06 1.9795870E-03 1.3594430E-03 -2.7009180E-04 37 2.2756743E-06 2.9913292E-05 -4.7610337E-03 1.4074388E-03 38 -9.8555197E-07 1.6826615E-05 -3.0664243E-03 1.6052677E-03 39 2.7286678E-07 -2.7011543E-06 -2.6689616E-04 2.9665726E-04 40 -8.4778690E-08 9.1321987E-07 6.8376093E-06 -1.0622200E-03 41 2.8050040E-08 -3.0401599E-07 -1.6477935E-06 -7.8433041E-04 42 -5.6242264E-09 6.2958735E-08 2.8266628E-07 -9.1377836E-05 2P- 3P- -2.0262898E+01 -2.0599652E+00 ------------ ------------ *** Large-Component *** 1 1.4408306E-05 -5.0406061E-06 2 2.5453839E-05 -8.8934020E-06 3 8.3655871E-05 -2.9324253E-05 4 2.5082645E-04 -8.7594930E-05 5 9.3273978E-04 -3.2800942E-04 6 3.5355360E-03 -1.2400963E-03 7 1.3070709E-02 -4.6379914E-03 8 4.2704844E-02 -1.5296068E-02 9 1.1973033E-01 -4.4301197E-02 10 2.6006650E-01 -9.9486024E-02 11 3.7992934E-01 -1.5536387E-01 12 2.9507815E-01 -1.0351573E-01 13 7.8745388E-02 1.8652393E-01 14 2.8240989E-03 4.7963047E-01 15 1.0249220E-03 4.0288506E-01 16 -1.1817575E-04 9.4087662E-02 *** Small-Component *** 17 2.3915009E-06 -8.4190645E-07 18 7.8021999E-06 -2.7121981E-06 19 2.7402296E-05 -9.6476587E-06 20 8.7046118E-05 -3.0350351E-05 21 2.6397432E-04 -9.2922276E-05 22 7.2964638E-04 -2.5586614E-04 23 1.8546374E-03 -6.5817556E-04 24 4.1152643E-03 -1.4739861E-03 25 7.8630732E-03 -2.9096275E-03 26 1.1670904E-02 -4.4653759E-03 27 1.1712332E-02 -4.7908189E-03 28 6.2998020E-03 -2.2118289E-03 29 1.1484513E-03 2.7419446E-03 30 2.1308006E-05 4.8101093E-03 31 5.0008307E-06 2.7155265E-03 32 -4.1206602E-06 4.1099277E-04 2P+ 3P+ -1.9996544E+01 -2.0271612E+00 ------------ ------------ *** Large-Component *** 1 2.7076640E-05 -9.5186406E-06 2 1.2364629E-04 -4.3108615E-05 3 6.7344604E-04 -2.3709256E-04 4 2.9995977E-03 -1.0519079E-03 5 1.2014427E-02 -4.2635360E-03 6 4.0730230E-02 -1.4586802E-02 7 1.1655963E-01 -4.3112872E-02 8 2.5674544E-01 -9.8178776E-02 9 3.7986693E-01 -1.5533136E-01 10 2.9979712E-01 -1.0732801E-01 11 8.1982431E-02 1.7968728E-01 12 3.0779805E-03 4.7690019E-01 13 1.0719595E-03 4.0840368E-01 14 -1.2641348E-04 9.8553055E-02 *** Small-Component *** 15 2.5005766E-05 -8.7887977E-06 16 7.0791514E-05 -2.4657768E-05 17 2.3873379E-04 -8.4001714E-05 18 6.7871382E-04 -2.3784567E-04 19 1.7706475E-03 -6.2797851E-04 20 3.9881236E-03 -1.4274484E-03 21 7.7111988E-03 -2.8507645E-03 22 1.1565414E-02 -4.4206868E-03 23 1.1738202E-02 -4.7980901E-03 24 6.4185595E-03 -2.2974849E-03 25 1.2053637E-03 2.6400954E-03 26 3.0887597E-05 4.7819859E-03 27 7.2216808E-06 2.7525252E-03 28 -5.5041038E-07 4.3013066E-04 3D- -4.5250284E-01 ------------ *** Large-Component *** 1 1.4866239E-04 2 5.7633750E-04 3 2.8715372E-03 4 1.1772935E-02 5 3.5969613E-02 6 9.6432842E-02 7 2.0729148E-01 8 3.0512488E-01 9 3.4426274E-01 10 2.6549369E-01 11 9.2172466E-02 *** Small-Component *** 12 2.4069214E-05 13 6.6002306E-05 14 2.2202995E-04 15 6.2496248E-04 16 1.3117927E-03 17 2.4393520E-03 18 3.6024778E-03 19 3.6192943E-03 20 2.7448481E-03 21 1.3708538E-03 22 2.9372847E-04 3D+ -4.5033837E-01 ------------ *** Large-Component *** 1 1.3407377E-04 2 5.5917785E-04 3 2.7988105E-03 4 1.1623012E-02 5 3.5669378E-02 6 9.5871804E-02 7 2.0638963E-01 8 3.0443992E-01 9 3.4454013E-01 10 2.6676818E-01 11 9.3300087E-02 *** Small-Component *** 12 2.3285956E-05 13 6.4759011E-05 14 2.1875879E-04 15 6.1896248E-04 16 1.3030910E-03 17 2.4269310E-03 18 3.5883327E-03 19 3.6118646E-03 20 2.7474286E-03 21 1.3775585E-03 22 2.9738397E-04 RADIAL MOMENTS Sym Orb S+ 1 1.06587E+03 2.28470E+01 6.63865E-02 5.92728E-03 6.66734E-04 9.07270E-05 2 9.88124E+01 4.84731E+00 3.05824E-01 1.10518E-01 4.57084E-02 2.14276E-02 3 1.35402E+01 1.47498E+00 9.47405E-01 1.03327E+00 1.26327E+00 1.72030E+00 4 7.97265E-01 3.56229E-01 3.57876E+00 1.48414E+01 7.02290E+01 3.76119E+02 P- 1 3.16299E+01 4.75552E+00 2.71170E-01 9.05287E-02 3.60632E-02 1.67626E-02 2 4.03834E+00 1.34196E+00 1.01565E+00 1.21290E+00 1.65746E+00 2.57343E+00 P+ 1 3.02869E+01 4.69119E+00 2.73852E-01 9.21934E-02 3.70096E-02 1.73290E-02 2 3.87771E+00 1.32872E+00 1.02360E+00 1.23189E+00 1.69659E+00 2.65495E+00 D- 1 1.32817E+00 9.82170E-01 1.35817E+00 2.39072E+00 5.29810E+00 1.43567E+01 D+ 1 1.31913E+00 9.79026E-01 1.36249E+00 2.40595E+00 5.34831E+00 1.45346E+01