Molecule: molecules/M013.xyz                                
 
   N   A       X        Y        Z       ESP    (i)      (ii)     (iii)    (iv) 
  --  --      ---      ---      ---      ---   ------   ------   ------   ------
   1   8   0.0565   0.0159   0.5527  -0.7182  -0.5523  -0.6761  -0.6793  -0.7005
   2  14   0.5771   1.5242   0.9932   0.8676   0.9380   0.8958   0.8588   0.8403
   3   8   0.0790  -0.0106  -1.7846  -0.7036  -0.5624  -0.6761  -0.6755  -0.6887
   4  14   1.0514  -1.1273   1.2238   0.1638   0.3650   0.2310   0.2796   0.2131
   5   8  -0.8815   0.9882  -2.3320  -0.6947  -0.5487  -0.6761  -0.6710  -0.6879
   6   1  -0.3395  -1.3534  -2.2729  -0.0766  -0.0858  -0.0770  -0.1004  -0.0953
   7   1   1.4319   0.2870  -2.3239  -0.0898  -0.0875  -0.0770  -0.0997  -0.0942
   8   1  -2.1629   0.2494   0.9676  -0.0533  -0.0775  -0.0770  -0.0859  -0.0786
   9   1   0.8825   1.6120   1.9056   0.4232   0.1797   0.3775   0.3771   0.4200
  10   1   0.5923  -1.8667   1.6402   0.4397   0.2183   0.3775   0.3982   0.4342
  11   1   0.0000   0.0000   0.0000   0.4420   0.2131   0.3775   0.3982   0.4376
                                      ------   ------   ------   ------   ------
                                      Sigma:    31.06     8.16     9.13     4.11