Molecule: molecules/M004.xyz                                
 
   N   A       X        Y        Z       ESP    (i)      (ii)     (iii)    (iv) 
  --  --      ---      ---      ---      ---   ------   ------   ------   ------
   1   1  -1.6300   2.3280  -1.7260  -0.0858  -0.0757  -0.0770  -0.0838  -0.0810
   2   1  -3.0581   0.7413  -0.5966  -0.0805  -0.0707  -0.0770  -0.0801  -0.0766
   3   1   0.0401  -0.0457  -0.3667  -0.0805  -0.0707  -0.0770  -0.0801  -0.0766
   4  14   2.0997   1.1035  -0.3069   0.0138   0.0121   0.0770  -0.0304  -0.0002
   5  14  -0.1961  -1.4463   1.5169   0.2649   0.2358   0.2310   0.2717   0.2581
   6  14  -1.7624   1.4687  -0.5183   0.2643   0.2358   0.2310   0.2717   0.2581
   7  14   0.0252  -0.9053  -1.5882   0.2621   0.2358   0.2310   0.2717   0.2582
   8   1   3.2375   0.1464  -0.2454  -0.0609  -0.0680  -0.0770  -0.0529  -0.0716
   9   1   2.1616   1.9802   0.8940  -0.0813  -0.0707  -0.0770  -0.0801  -0.0766
  10   1   2.2645   1.9551  -1.5160  -0.0866  -0.0757  -0.0770  -0.0838  -0.0810
  11   1  -1.4815  -2.1939   1.4614  -0.0812  -0.0707  -0.0770  -0.0801  -0.0766
  12   1  -0.1819  -0.6334   2.7633  -0.0810  -0.0707  -0.0770  -0.0801  -0.0766
  13   1   0.9188  -2.4293   1.5878  -0.0864  -0.0757  -0.0770  -0.0838  -0.0810
  14   1   0.0000   0.0000   0.0000  -0.0810  -0.0707  -0.0770  -0.0801  -0.0766
                                      ------   ------   ------   ------   ------
                                      Sigma:    11.07    16.90     9.03     4.70