MANGANESE

Basis Set                                                                       
     Expn.       C                                                              
                                                                                
     1.805       0.027952                                                       
s    0.7001     -0.265969                                                       
     0.1120      0.565114                                                       
     0.04117     0.575115                                                       
                                                                                
    21.54        0.060527                                                       
     5.670       0.267731                                                       
d    1.830       0.441316                                                       
     0.6874      0.367201                                                       
     0.2414      0.204974                                                       
                                                                                
                                                                                
Potential                                                                       
    n         Exp.          Coef.
      d        
  5
    2        .451900        -.322372
    2       1.386300       -2.421311
    2       3.749300       -9.073354
    2      11.575100      -23.510959
    1      33.643700      -11.558001
     
      s-d         
  6
    2        .746100       50.562812
    2        .836500     -139.925717
    2       1.008700      187.175203
    2       1.195300      -96.709875
    1       1.958900       18.296155
    0       8.920400        3.136734
     
      p-d         
  6
    2       1.093700       35.466611
    2       1.485700     -103.008045
    2       1.970800      106.408115
    2       2.599100      -43.289204
    1       1.044500       10.657283
    0       3.009100        5.335990
     
spin-orbit operator
     
      p-d         
  6
    2       1.093700        1.813230
    2       1.485700       -5.054384
    2       1.970800        4.829290
    2       2.599100       -1.663168
    1       1.044500        -.129940
    0       3.009100        -.000218
     
      d        
  5
    2        .451900        -.002628
    2       1.386300         .008204
    2       3.749300        -.004488
    2      11.575100         .007770
    1      33.643700         .066870
     
Basis Set                                                                       
     Expn.     C (n=3)    C (n=4)                                               
                                                                                
              (-3.8886)  (-0.2503)                                              
s    49.12    -0.006123   0.001196                                              
     16.09     0.044445  -0.008047                                              
      6.704   -0.415655   0.103816                                              
      1.805    0.666812  -0.204869                                              
      0.7030   0.579621  -0.302873                                              
      0.1064   0.004455   0.619505                                              
      0.03962  0.000129   0.524170                                              
                                                                                
              (-2.4961)                                                         
p    44.61    -0.010356                                                         
     18.60    -0.002189                                                         
      8.138   -0.072472                                                         
      3.337    0.299972                                                         
      1.379    0.581571                                                         
      0.5386   0.264434                                                         
                                                                                
              (-0.6273)                                                         
d    37.90     0.023919                                                         
     10.52     0.129626                                                         
      3.538    0.341773                                                         
      1.212    0.474847                                                         
      0.3879   0.329452                                                         
      0.1054   0.053610                                                         
                                                                                
                                                                                
Potential                                                                       
    n         Exp.          Coef.
   d        
  4
    2      11.270600       -3.689540
    2      33.694000      -26.479027
    2     110.900200      -66.812691
    1     381.802000       -8.682521
     
      s-d         
  6
    2       3.397100      -28.530822
    2       3.943700       91.919895
    2       5.135100     -174.687430
    2       6.818700      189.561673
    1      24.902300       12.274520
    0      21.423600        3.104753
     
      p-d         
  6
    2       2.694400      -18.952995
    2       3.188900       61.783897
    2       4.264000     -117.404004
    2       5.761500      120.173337
    1       9.854400       -2.765345
    0      20.326100        5.319457
     
spin-orbit operator
     
      p-d         
  6
    2       2.694400        -.454990
    2       3.188900        1.666258
    2       4.264000       -3.793780
    2       5.761500        4.596752
    1       9.854400        -.808128
    0      20.326100         .047764
     
   d        
  4
    2      11.270600         .025722
    2      33.694000         .132540
    2     110.900200         .676241
    1     381.802000         .815185
