MNDOD FORCE PRECISE chemdig rzepa
example_mop chemdig rzepa  mpc-hts-exCC-ome-ax.datFINAL example_mop GEOMETRY OBTAINED
   mpc-hts-exCC-ome-ax.dat
  I    0.000000  0   0.000000  0    0.000000  0                    1.2931
  F    2.007705  1   0.000000  0    0.000000  0     1             -0.5806
  C    1.976775  1 113.587884  1    0.000000  0     1     2       -0.3262
  C    1.220154  1 158.212079  1    0.350673  1     3     1     2 -0.1490
  C    1.718003  1  69.164155  1 -179.857807  1     3     1     2 -0.5299
  H    1.050080  1 178.162616  1 -177.729817  1     4     3     1  0.1604
  C    1.221430  1 134.690414  1 -179.384789  1     5     3     1  0.0795
  O    1.301775  1 175.473905  1   94.821837  1     7     5     3 -0.1720
  C    1.416724  1 118.564406  1  -89.370931  1     8     7     4  0.1954
  H    1.115428  1 111.817097  1  -61.310276  1     9     8     7 -0.0015
  H    1.115118  1 111.869865  1   60.951603  1     9     8     7  0.0029
  H    1.114245  1 106.393972  1  179.866936  1     9     8     7  0.0277