MNDOD EF PRECISE ENPART
F-system3-m-gs.dat
F-trimer3-groundstate                                                                    
  I    0.000000  0    0.000000  0    0.000000  0    0   0   0
  F    2.239288  1    0.000000  0    0.000000  0    1   0   0
  C    1.979935  1   91.047623  1    0.000000  0    1   2   0
  C    1.204514  1  178.694351  1  357.314255  1    3   1   2
  C    1.941605  1  178.657623  1  179.999634  1    1   2   3
  C    1.204437  1  178.951385  1    0.000000  1    5   1   2
  I    4.299606  1   73.648010  1  180.000366  1    1   2   3
  F    2.189026  1   87.657227  1  180.000366  1    1   2   3
  C    1.979980  1   91.009155  1  179.453217  1    7   8   1
  C    1.204483  1  178.694351  1    2.122711  1    9   7   8
  C    1.941757  1  178.734573  1    0.000000  1    7   8   1
  C    1.204254  1  179.051056  1  336.073135  1   11   7   8
  I    2.188934  1  152.365005  1  181.265427  1    2   1   3
  F    2.189087  1   87.706177  1  359.293594  1    7   8   1
  C    1.980026  1  178.694351  1    5.691467  1   13   2   1
  C    1.204468  1  178.694351  1  346.503113  1   15  13   2
  C    1.941650  1   91.042374  1  179.225906  1   13   2   1
  C    1.204361  1  179.294098  1  340.288834  1   17  13   2
  O    1.304398  1  175.303955  1   97.620331  1   12  11   7
  O    1.304306  1  175.380890  1  273.325455  1    6   5   1
  C    1.374863  1  179.999634  1    0.000000  1   10   9   7
  O    1.304306  1  175.282974  1  111.783417  1   18  17  13
  C    1.374817  1  179.999634  1    0.000000  1    4   3   1
  C    1.374863  1  179.999634  1    0.000000  1   16  15  13
  C    1.416656  1  118.707596  1  182.589066  1   22  18  17
  N    1.163559  1  179.999634  1    0.000000  1   24  16   1
  C    1.416733  1  118.705841  1  178.584198  1   20   6   5
  N    1.163513  1  179.999634  1    0.000000  1   23   4   2
  C    1.416687  1  118.714584  1  181.845947  1   19  12  11
  N    1.163620  1  179.999634  1    0.000000  1   21  10   1
  H    1.114182  1  106.328003  1  180.000366  1   25  22  18
  H    1.115356  1  111.799149  1  298.864456  1   25  22  18
  H    1.115219  1  111.807892  1   61.135544  1   25  22  18
  H    1.114197  1  106.319260  1  180.000366  1   27  20   6
  H    1.115173  1  111.813141  1  298.923904  1   27  20   6
  H    1.115219  1  111.792160  1   61.205490  1   27  20   6
  H    1.114136  1  106.326263  1  179.999634  1   29  19  12
  H    1.115311  1  111.785172  1  298.719330  1   29  19  12
  H    1.115234  1  111.811386  1   60.986923  1   29  19  12