Molecule: molecules/M001.xyz                                
 
   N   A       X        Y        Z       ESP    (i)      (ii)     (iii)    (iv) 
  --  --      ---      ---      ---      ---   ------   ------   ------   ------
   1  14  -0.1130   1.0420  -0.0340   0.2591   0.2391   0.2310   0.2667   0.2652
   2  14   1.8190  -0.3890  -0.0020   0.0949   0.1236   0.1540   0.1013   0.1065
   3  14  -2.0830  -1.1630   1.2110   0.2590   0.2392   0.2310   0.2668   0.2653
   4   1  -2.0900  -1.2090  -1.1820  -0.0826  -0.0778  -0.0770  -0.0850  -0.0832
   5   1  -3.2760   0.5090  -0.0150  -0.0824  -0.0778  -0.0770  -0.0849  -0.0832
   6   1  -0.1010   1.9230   1.1440  -0.0804  -0.0727  -0.0770  -0.0810  -0.0786
   7   1  -0.1020   1.8680  -1.2520  -0.0610  -0.0727  -0.0770  -0.0665  -0.0736
   8   1   1.8060  -1.2590  -1.1820  -0.0612  -0.0727  -0.0770  -0.0665  -0.0735
   9   1   1.8010  -1.2120   1.2110  -0.0825  -0.0778  -0.0770  -0.0850  -0.0832
  10   1   3.0360   0.4280  -0.0150  -0.0825  -0.0778  -0.0770  -0.0850  -0.0832
  11   1   0.0000   0.0000   0.0000  -0.0804  -0.0727  -0.0770  -0.0810  -0.0786
                                      ------   ------   ------   ------   ------
                                      Sigma:    10.47    17.31     3.56     5.27