ZINC

Basis Set                                                                       
     Expn.       C                                                              
                                                                                
     2.797       0.014108                                                       
s    0.9982     -0.229491                                                       
     0.1454      0.655988                                                       
     0.04622     0.484348                                                       
                                                                                
    34.46        0.066622                                                       
     9.325       0.286257                                                       
d    2.976       0.457952                                                       
     1.044       0.354736                                                       
     0.3666      0.190234                                                       
                                                                                
                                                                                
Potential                                                                       
    n         Exp.          Coef.
      d        
  5
    2        .706200        -.425633
    2       2.270000       -3.323037
    2       6.477900      -12.901469
    2      21.370000      -35.579939
    1      63.255600      -12.051876
     
      s-d         
  6
    2       1.131900       54.526363
    2       1.284700     -151.996139
    2       1.589900      214.513097
    2       1.935400     -113.678441
    1       3.166500       20.791293
    0      15.257000        3.026611
     
      p-d         
  6
    2        .845600       37.360401
    2        .962400     -108.311316
    2       1.198500      166.686203
    2       1.463000     -102.955786
    1       2.191200        9.700778
    0       1.617200        5.595258
     
spin-orbit operator
     
      p-d         
  6
    2        .845600        1.723124
    2        .962400       -5.722792
    2       1.198500       10.533580
    2       1.463000       -7.461472
    1       2.191200         .223022
    0       1.617200        -.061106
     
      d        
  5
    2        .706200        -.004310
    2       2.270000         .014017
    2       6.477900        -.000166
    2      21.370000         .021247
    1      63.255600         .158499
     
Basis Set                                                                       
     Expn.     C (n=3)    C (n=4)                                               
                                                                                
                 (-5.8147)  (-0.2980)                                           
s    68.59      -0.009346   0.001864                                            
     23.71       0.048904  -0.008331                                            
     10.04      -0.430731   0.100284                                            
      2.810      0.712603  -0.206986                                            
      1.070      0.550260  -0.260604                                            
      0.1470     0.006124   0.619320                                            
      0.05114   -0.001017   0.512923                                            
                                                                                
                 (-3.8913)                                                      
p    66.08      -0.012090                                                       
     27.69      -0.002552                                                       
     12.18      -0.069281                                                       
      4.988      0.354730                                                       
      2.058      0.565351                                                       
      0.7986     0.227803                                                       
                                                                                
                 (-0.7649)                                                      
d    58.41       0.027602                                                       
     16.45       0.149206                                                       
      5.576      0.354730                                                       
      1.884      0.468041                                                       
      0.5723     0.303367                                                       
      0.1908     0.053632                                                       
                                                                                
                                                                                
Potential                                                                       
    n         Exp.          Coef.
   d        
  4
    2      17.704500       -4.952854
    2      54.376600      -35.814241
    2     190.264300      -97.186197
    1     733.553200      -10.759991
     
      s-d         
  6
    2       3.009700      -25.240201
    2       5.603100       76.248036
    2       6.865400     -184.659460
    2      10.426000      185.511071
    1       2.561100       14.916030
    0      36.700500        3.067735
     
      p-d         
  6
    2       4.115600      -28.084925
    2       4.904500       99.617544
    2       6.252300     -140.069070
    2       9.472500      151.882706
    1       5.864200       -3.594321
    0      34.274200        5.292852
     
spin-orbit operator
     
      p-d         
  6
    2       4.115600        -.603400
    2       4.904500        2.730574
    2       6.252300       -2.201290
    2       9.472500       10.602718
    1       5.864200       -2.126012
    0      34.274200         .092648
     
   d        
  4
    2      17.704500         .076385
    2      54.376600         .318704
    2     190.264300        2.378813
    1     733.553200        1.849286