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 Molecule: molecules/M018.xyz                                
 
   N   A       X        Y        Z       ESP    (i)      (ii)     (iii)    (iv) 
  --  --      ---      ---      ---      ---   ------   ------   ------   ------
   1   8  -0.7975  -0.3853   1.9828  -0.7128  -0.5179  -0.6761  -0.6628  -0.6810
   2  14  -2.3892   0.0708   1.9524   1.2210   1.2310   1.1940   1.1910   1.1250
   3   8  -0.5214  -1.6248   0.9541  -0.7494  -0.5663  -0.6761  -0.7240  -0.7269
   4   8  -0.0003   0.9584   1.5038  -0.6802  -0.5650  -0.5972  -0.5723  -0.5677
   5   8   0.3078  -2.1331  -0.3680  -0.6641  -0.5724  -0.5972  -0.5735  -0.5665
   6  14  -0.2809   2.1357   0.3811   1.2660   1.2560   1.1940   1.2030   1.1360
   7  14  -0.6846  -2.5936  -1.5883   1.2660   1.2570   1.1940   1.2040   1.1370
   8   8   1.2140  -3.3914   0.1606  -0.7363  -0.5403  -0.6761  -0.7069  -0.7124
   9   8   1.2561  -0.8890  -0.8953  -0.6831  -0.5208  -0.6761  -0.6607  -0.6751
  10   8   0.3151   1.6273  -1.0611  -0.6651  -0.5726  -0.5972  -0.5737  -0.5667
  11   8   0.5588   3.5002   0.7235  -0.6760  -0.5641  -0.5972  -0.5716  -0.5670
  12   8  -1.8918   2.4329   0.3216  -0.6828  -0.5199  -0.6761  -0.6596  -0.6742
  13   8   1.0226   0.3988  -1.8738  -0.7375  -0.5416  -0.6761  -0.7078  -0.7131
  14  14   2.4192   0.9252  -2.5488   1.2200   1.2300   1.1940   1.1910   1.1250
  15   8   0.0293  -0.1868  -3.0625  -0.7127  -0.5178  -0.6761  -0.6630  -0.6812
  16   8   1.5835  -3.9536  -0.5289  -0.7525  -0.5674  -0.6761  -0.7246  -0.7273
  17   1  -0.7190  -1.9554  -2.3203   0.4111   0.1928   0.3775   0.3554   0.3989
  18   1  -3.0420  -0.5884   2.2133   0.4312   0.2156   0.3775   0.4042   0.4422
  19   1   0.3111  -1.4885   3.5759   0.4538   0.2000   0.3775   0.3868   0.4200
  20   1  -2.4256   1.7731   0.7945   0.4447   0.1878   0.3775   0.3596   0.4072
  21   1   0.1755   4.0610   1.4066   0.4294   0.2150   0.3775   0.4040   0.4419
  22   1   2.8686   1.6370  -2.0792   0.4109   0.1926   0.3775   0.3546   0.3983
  23   1  -0.2285   0.4232  -3.7625   0.4445   0.1880   0.3775   0.3597   0.4072
  24   1   0.0000   0.0000   0.0000   0.4546   0.2000   0.3775   0.3871   0.4202
                                      ------   ------   ------   ------   ------
                                      Sigma:    23.66     7.84     8.07     8.79
 
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