CCL Home Page
Up Directory CCL ad636a.psi1
6-31G*              
AUTO1
 1 1  1.000000
 0     ADENINE 6-31G* SINGLE POINT USING XTAL-AVERAGED GEOM                    
 7          1.936330  0.533618  0.000000
 6          1.278323  1.700935  0.000000
 6          1.229142 -0.616332  0.000000
 7         -0.033089  1.922517  0.000000
 6         -0.178091 -0.528033  0.000000
 7          1.887149 -1.783648  0.000000
 1          1.918509  2.595453  0.000000
 6         -0.715011  0.769008  0.000000
 7         -1.163901 -1.493734  0.000000
 1          2.896182 -1.634474  0.000000
 1          1.450895 -2.694572  0.000000
 6         -2.279778 -0.807499  0.000000
 7         -2.086385  0.614951  0.000000
 1         -3.273368 -1.279495  0.000000
 1         -2.780466  1.348675  0.000000
99
  0.000000  0.000000  0.000000  0.000000 -0.008650  0.000000  0.000000  0.000000
 -0.020838  0.000000  0.000000  0.000000  0.000000 -0.002372 -0.029106  0.000000
  0.000000  0.000000  0.000000 -0.265604  0.000000  0.000000  0.000000 -0.374280
  0.000000  0.000000  0.000000  0.000000 -0.017534  0.002184  0.000000  0.000000
  0.000000  0.000000  0.310984  0.000000 -0.000001 -0.000001  0.446597  0.000000
  0.000000  0.000000  0.000000  0.002484  0.009139  0.000000  0.000000  0.000000
  0.000000  0.210083  0.000000  0.000000  0.000000  0.304094  0.000000  0.000000
  0.000000  0.000000 -0.009134 -0.009510  0.000000  0.000000  0.000000  0.000000
 -0.108154  0.000000  0.000000  0.000001 -0.201694  0.000000  0.000000  0.000000
  0.000000  0.026138  0.007115  0.000000  0.000000  0.000000  0.000000 -0.145373
  0.000000  0.000000  0.000000 -0.257937  0.000000  0.000000  0.000000  0.000000
 -0.006784  0.016100  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
 -0.014330  0.000000 -0.000001  0.000001  0.015293  0.000000  0.000000  0.000000
  0.000000  0.014507  0.020015  0.000000  0.000000  0.000000  0.000000 -0.177460
  0.000001  0.000001  0.000001 -0.265138  0.000000  0.000000  0.000000  0.000000
 -0.018274 -0.008728  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
  0.000000  0.000000  0.295555  0.000000 -0.000002 -0.000002  0.457043  0.000000
  0.000000  0.000000  0.000000 -0.015030 -0.001360  0.000000  0.000000  0.000000
  0.000000 -0.126751  0.000000  0.000000 -0.000001 -0.204376  0.000000  0.000000
  0.000000  0.000000 -0.008571 -0.013680  0.000000 -0.000002  0.000000  0.000001
Modified: Fri May 24 16:00:00 1991 GMT
Page accessed 3970 times since Sat Apr 17 22:02:01 1999 GMT