TITANIUM

Basis Set                                                                       
     Expn.       C                                                              
                                                                                
     1.286       0.038135                                                       
s    0.5273     -0.295658                                                       
     0.08545     0.603586                                                       
     0.03290     0.544140                                                       
                                                                                
    13.86        0.059376                                                       
     3.600       0.257029                                                       
d    1.138       0.442549                                                       
     0.4139      0.377132                                                       
     0.1517      0.207119                                                       
                                                                                
                                                                                
Potential                                                                       
    n         Exp.          Coef.
      d        
  5
    2        .337900        -.300060
    2       1.114400       -2.861760
    2       3.428200      -10.930517
    2      13.609700      -36.186640
    1      45.699400      -12.745089
     
      s-d         
  6
    2        .214800         .034806
    2        .993400       21.712488
    2       1.177800      -39.980286
    2       1.814800        1.935831
    1        .932100       24.444116
    0      10.550800        3.186232
     
      p-d         
  6
    2        .763200       21.598297
    2       1.067500      -72.594682
    2       1.409400       79.001055
    2       1.817300      -38.155255
    1        .795600        7.751765
    0        .583500        5.455998
     
spin-orbit operator
     
      p-d         
  6
    2        .763200         .650270
    2       1.067500       -1.737640
    2       1.409400        1.604372
    2       1.817300        -.409640
    1        .795600        -.224882
    0        .583500         .007474
     
      d        
  5
    2        .337900        -.001428
    2       1.114400         .004476
    2       3.428200        -.001097
    2      13.609700         .010587
    1      45.699400         .084493
     
Basis Set                                                                       
     Expn.      C (n=3)    C (n=4)                                              
                                                                                
                (-2.9083)  (-0.2217)                                            
s    39.81      -0.010792   0.002564                                            
     12.22       0.060686  -0.012964                                            
      5.009     -0.405335   0.107391                                            
      1.286      0.635627  -0.207195                                            
      0.5128     0.594599  -0.337902                                            
      0.08558    0.002044   0.617599                                            
      0.03330    0.001639   0.540009                                            
                                                                                
                 (-1.7992)                                                      
p    36.37      -0.007583                                                       
     14.78      -0.004904                                                       
      6.275     -0.067020                                                       
      2.479      0.251923                                                       
      1.016      0.596821                                                       
      0.3982     0.288886                                                       
                                                                                
                 (-0.4317)                                                      
d    25.99       0.022173                                                       
      7.086      0.117824                                                       
      2.349      0.319831                                                       
      0.8002     0.468462                                                       
      0.2620     0.358735                                                       
      0.07200    0.071308                                                       
                                                                                
                                                                                
Potential                                                                       
    n         Exp.          Coef.
   d        
  4
    2       8.020500       -2.921409
    2      23.731600      -21.510721
    2      76.420700      -53.503053
    1     255.151800       -8.132994
     
      s-d         
  6
    2       2.096700      -51.371918
    2       2.544200      113.327499
    2       3.425700     -173.038673
    2       4.621500      146.566730
    1       1.500600        6.997751
    0      18.849800        3.132276
     
      p-d         
  6
    2       3.537900       32.565195
    2       4.228000     -122.773047
    2       5.742600      217.986902
    2       7.776300     -168.728819
    1      11.054300        5.545001
    0       3.265700        4.741368
     
spin-orbit operator
     
      p-d         
  6
    2       3.537900        1.263514
    2       4.228000       -4.202728
    2       5.742600        8.314782
    2       7.776300       -6.499222
    1      11.054300         .205750
    0       3.265700        -.015746
     
   d        
  4
    2       8.020500         .013074
    2      23.731600         .087074
    2      76.420700         .375663
    1     255.151800         .602879