MERCURY

Basis Set                                                                       
     Expn.	C(n=5)		C(n=6)          
                                                                                
			       (-0.3278)        
     0.5371			-0.5204         
s    0.2247			 0.7018         
     0.0649			 0.6951         
                                                                                
			       (-0.1804)        
     0.7213			-0.0713         
p    0.1505			 0.4189         
     0.0512			 0.6805         
                                                                                
	       (-0.6017)                        
     1.4418	 0.5030                         
d    0.5560	 0.4605                         
     0.2167	 0.1908                         
     0.0835	 0.0238                         
                                                                                
                                                                                
Potential                                                                       
    n         Exp.          Coef.
      g           
  6
    2       1.066100       -1.125593
    2       2.555200      -10.712210
    2       7.327700      -37.997999
    2      18.271600     -124.305494
    2      62.892900     -312.364613
    1     194.987600      -52.263057
     
         s-g            
  8
    2       1.310600      -84.917057
    2       1.525600      276.988667
    2       1.999100     -338.399086
    2       2.824300      317.144943
    2       4.172100     -203.942865
    2       6.288500      165.251316
    1      15.612800       50.152796
    0      40.719900        3.979591
     
         p-g            
  8
    2        .973500      -14.863204
    2       1.120800       94.565658
    2       1.470000     -141.043982
    2       2.119000      143.836845
    2       3.243800      -80.448018
    2       5.328000       94.060874
    1      12.845600       52.950096
    0      36.974300        5.603944
     
         d-g            
  8
    2       1.489100       64.182440
    2        .359400        -.143450
    2       1.384500      -47.454059
    2       2.669000     -103.458332
    2       3.745400      235.987038
    2       5.633500     -176.666534
    1       8.813500       67.144999
    0      47.669300        6.698038
     
         f-g            
  8
    2        .723800      -41.446112
    2        .825000      136.941601
    2       1.048000     -188.020153
    2       1.427400      196.114660
    2       2.014300     -135.424807
    2       2.813600       97.133018
    1       8.314500       44.362390
    0      22.519500        5.045634
     
spin-orbit operator
     
         p-g            
  8
    2        .973500       25.576534
    2       1.120800      -31.804898
    2       1.470000      -11.132996
    2       2.119000       41.205350
    2       3.243800      -38.163936
    2       5.328000       19.300678
    1      12.845600       -1.312502
    0      36.974300         .155862
     
         d-g            
  8
    2       1.489100       -4.054616
    2        .359400        -.024446
    2       1.384500        3.266115
    2       2.669000         .547229
    2       3.745400        6.559014
    2       5.633500      -10.370148
    1       8.813500         .611204
    0      47.669300        -.078183
     
         f-g            
  8
    2        .723800        5.921501
    2        .825000      -10.902595
    2       1.048000        6.659459
    2       1.427400        -.398304
    2       2.014300       -2.407900
    2       2.813600        1.607053
    1       8.314500         .089058
    0      22.519500        -.006345
     
      g           
  6
    2       1.066100        -.019454
    2       2.555200         .047077
    2       7.327700        -.057882
    2      18.271600         .258777
    2      62.892900         .285969
    1     194.987600        1.293364
     
Basis Set                                                                       
     Expn.	C(n=5)		C(n=6)          
                                                
		(-5.0716)	(-0.3254)       
     2.4957	 -3.9767	  1.8030        
     2.0665	  4.4020	 -2.1123        
s    0.5553	  0.4052	 -0.2639        
     0.1736	 -0.0257	  0.6512        
     0.05873	  0.0076	  0.5915        
                                                                                
		(-3.0614)                       
     3.7197	 -0.5567                        
     2.4806	  0.7352                        
p    1.0219	  0.6120                        
     0.4514	  0.1716                        
     0.1558	  0.0087                        
                                                                                
		(-0.6032)                       
     1.4419	  0.5040                        
d    0.5554	  0.4601                        
     0.2163	  0.1907                        
     0.08224	  0.0231                        
                                                                                
                                                                                
Potential	                                
    n         Exp.          Coef.
      g           
  6
    2       2.261900        -.945756
    2       5.612000      -14.016169
    2      14.064900      -81.474892
    2      40.926900     -158.272432
    2     129.167900     -451.699333
    1     447.189800      -54.985258
     
         s-g            
  8
    2       2.835700      -25.160120
    2       3.299500       91.191325
    2       4.367300     -201.981951
    2       6.544800      454.723305
    2      10.368400     -358.648234
    2      17.265400      429.541681
    1      46.423800       35.777025
    0      41.914100        6.852801
     
         p-g            
  8
    2       2.494500      -29.687648
    2       2.887300      101.145418
    2       3.778400     -208.319952
    2       5.539100      427.213635
    2       8.602600     -379.296056
    2      13.725000      371.703600
    1      37.172000       33.641006
    0      38.386900        5.870535
     
         d-g            
  8
    2       1.863200      -29.977787
    2       2.152500       93.632888
    2       2.835100     -181.202595
    2       4.113400      337.589915
    2       6.331600     -357.079302
    2      10.026400      342.558191
    1      26.724300       27.917931
    0      28.095700        7.874576
     
         f-g            
  8
    2       1.558000       41.199378
    2       1.812500     -132.285709
    2       2.401100      259.853040
    2       3.484600     -360.876636
    2       5.361800      376.673762
    2       8.204100     -186.244192
    1      12.026800       56.038799
    0      55.558000        4.220232
     
spin-orbit operator
     
         p-g            
  8
    2       2.494500       21.572252
    2       2.887300      -57.898350
    2       3.778400       69.571142
    2       5.539100      -16.767212
    2       8.602600      -43.187638
    2      13.725000       20.506746
    1      37.172000       -6.685222
    0      38.386900         .142210
     
         d-g            
  8
    2       1.863200         .009195
    2       2.152500         .833645
    2       2.835100       -4.775551
    2       4.113400       16.348839
    2       6.331600      -25.670466
    2      10.026400       14.370116
    1      26.724300       -1.204739
    0      28.095700         .057483
     
         f-g            
  8
    2       1.558000        1.311279
    2       1.812500       -4.171886
    2       2.401100        7.920671
    2       3.484600      -10.779605
    2       5.361800        8.902475
    2       8.204100       -3.963278
    1      12.026800         .098481
    0      55.558000        -.009073
     
      g           
  6
    2       2.261900        -.006181
    2       5.612000        -.062111
    2      14.064900         .132384
    2      40.926900         .792486
    2     129.167900        1.905320
    1     447.189800        2.916094
