Molecule: molecules/M002.xyz                                
 
   N   A       X        Y        Z       ESP    (i)      (ii)     (iii)    (iv) 
  --  --      ---      ---      ---      ---   ------   ------   ------   ------
   1  14  -0.2220   0.5820   0.0000   0.6542   0.5734   0.5296   0.6762   0.7065
   2   8   1.4570   0.1770   0.0000  -0.5327  -0.5572  -0.5972  -0.5345  -0.5559
   3  14  -2.2250  -0.6270   1.1830   0.6540   0.5733   0.5296   0.6762   0.7065
   4   1  -2.2250  -0.6270  -1.1830  -0.1315  -0.1021  -0.0770  -0.1392  -0.1459
   5   1  -2.6610   1.3920   0.0000  -0.1315  -0.1021  -0.0770  -0.1392  -0.1459
   6   1   1.7970  -0.6000  -1.1830  -0.1250  -0.0906  -0.0770  -0.1306  -0.1367
   7   1   1.7970  -0.6000   1.1830  -0.1313  -0.1021  -0.0770  -0.1392  -0.1460
   8   1   2.2060   1.4250   0.0000  -0.1313  -0.1021  -0.0770  -0.1392  -0.1460
   9   1   0.0000   0.0000   0.0000  -0.1250  -0.0905  -0.0770  -0.1305  -0.1366
                                      ------   ------   ------   ------   ------
                                      Sigma:    12.53    20.40     3.22     7.59