SMILES:Fc1c([N+](=O)[O-])c(F)cc(F)c1	ChemMol.com

FORMULA: C6H2F3NO2
MASS: 177.0808
EXACT MASS: 177.0037630
INTERATOMIC DISTANCES

              F   1      F   2      F   3      O   4      O   5      N   6
              ------------------------------------------------------------------
   F   1    0.0000 
   F   2    3.4641     0.0000 
   F   3    3.4641     3.4641     0.0000 
   O   4    1.7320     3.0000     4.5826     0.0000 
   O   5    3.0000     1.7320     4.5826     1.7321     0.0000 
   N   6    2.0000     2.0000     4.0000     1.0001     1.0000     0.0000 
   C   7    1.7321     1.7320     3.0000     1.7321     1.7320     1.0000 
   C   8    1.0000     2.6458     2.6458     2.0000     2.6458     1.7321 
   C   9    2.6458     1.0000     2.6457     2.6458     2.0000     1.7320 
   C  10    1.7320     3.0000     1.7321     3.0000     3.4641     2.6458 
   C  11    3.0000     1.7320     1.7320     3.4641     3.0000     2.6457 
   C  12    2.6458     2.6457     1.0000     3.6056     3.6055     3.0000 
   H  13    1.8397     3.6200     1.8397     3.3533     4.0130     3.1408 
   H  14    3.6200     1.8397     1.8396     4.0130     3.3533     3.1407 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0001     0.0000 
   C   9    1.0000     1.7321     0.0000 
   C  10    1.7321     1.0000     2.0000     0.0000 
   C  11    1.7320     2.0000     1.0000     1.7321     0.0000 
   C  12    2.0000     1.7321     1.7320     1.0001     1.0000     0.0000 
   H  13    2.2901     1.4158     2.6200     0.6200     2.2901     1.4158 
   H  14    2.2900     2.6200     1.4158     2.2901     0.6200     1.4157 

              H  13      H  14
              ----------------------
   H  13    0.0000 
   H  14    2.8059     0.0000 



ATOMIC CHARGES
   F   1   -0.1981784026
   F   2   -0.1981784026
   F   3   -0.2052972078
   O   4   -0.5758880011
   O   5    0.0416308606
   N   6    0.0856235722
   C   7    0.3427660927
   C   8    0.2056584767
   C   9    0.2056584767
   C  10    0.0157438045
   C  11    0.0157438045
   C  12    0.1292848540
   H  13    0.0677160361
   H  14    0.0677160361


BOND ANGLES
   9    7    8  Car  Car  Car    120.001
   7    8   10  Car  Car  Car    119.998
   8    7    9  Car  Car  Car    120.001
   7    9   11  Car  Car  Car    120.001
  13   10   12   HC  Car  Car    120.000
  12   10   13  Car  Car   HC    120.000
  14   11   12   HC  Car  Car    119.998
  12   11   14  Car  Car   HC    119.998


TORSION ANGLES
   4    6    7    8      0.026
   4    6    7    9    179.974
   5    6    7    8    179.974
   5    6    7    9      0.026
   6    7    8    1      0.026
   6    7    8   10    179.974
   9    7    8    1    179.974
   9    7    8   10      0.026
   6    7    9    2      0.026
   6    7    9   11    179.974
   8    7    9    2    179.974
   8    7    9   11      0.026
   1    8   10   12    179.974
   1    8   10   13      0.026
   7    8   10   12      0.026
   7    8   10   13    179.974
   2    9   11   12    179.974
   2    9   11   14      0.026
   7    9   11   12      0.026
   7    9   11   14    179.974
   8   10   12    3    179.974
   8   10   12   11      0.026
  13   10   12    3      0.026
  13   10   12   11    179.974
   9   11   12    3    179.974
   9   11   12   10      0.026
  14   11   12    3      0.026
  14   11   12   10    179.974