SMILES:Fc1c(O)cc(F)cc1F	ChemMol.com

FORMULA: C6H3F3O
MASS: 148.0826
EXACT MASS: 148.0135994
INTERATOMIC DISTANCES

              F   1      F   2      F   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   F   1    0.0000 
   F   2    2.0000     0.0000 
   F   3    4.0000     3.4641     0.0000 
   O   4    2.0000     3.4641     3.4641     0.0000 
   C   5    1.7320     2.6457     2.6457     1.0001     0.0000 
   C   6    1.0000     1.7320     3.0000     1.7321     1.0000     0.0000 
   C   7    2.6457     2.9999     1.7320     1.7321     1.0000     1.7320 
   C   8    1.7320     1.0000     2.6457     2.6458     1.7320     1.0000 
   C   9    2.6457     1.7320     1.7320     3.0000     2.0000     1.7320 
   C  10    3.0000     2.6457     1.0000     2.6458     1.7320     2.0000 
   H  11    3.1408     3.6200     1.8397     1.8397     1.4158     2.2901 
   H  12    3.1408     1.8397     1.8397     3.6201     2.6200     2.2901 
   H  13    2.6200     4.0130     3.5192     0.6200     1.4158     2.2901 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.0000     0.0000 
   C   9    1.7320     1.0000     0.0000 
   C  10    1.0000     1.7320     1.0000     0.0000 
   H  11    0.6201     2.6200     2.2901     1.4158     0.0000 
   H  12    2.2901     1.4158     0.6201     1.4158     2.8060     0.0000 
   H  13    1.8397     3.1408     3.3533     2.8292     1.7320     3.9666 

              H  13
              -----------
   H  13    0.0000 



ATOMIC CHARGES
   F   1   -0.1986249382
   F   2   -0.2022594586
   F   3   -0.2052718933
   O   4   -0.5037495697
   C   5    0.1575209915
   C   6    0.1996461330
   C   7    0.0181028878
   C   8    0.1647527153
   C   9    0.0119003873
   C  10    0.1297592013
   H  11    0.0683724694
   H  12    0.0675835925
   H  13    0.2922674817


BOND ANGLES
  13    4    5   HO   O3  Car    120.000
   4    5    6   O3  Car  Car    120.001
   4    5    7   O3  Car  Car    119.998
   5    4   13  Car   O3   HO    120.000
   7    5    6  Car  Car  Car    120.001
   5    6    8  Car  Car  Car    119.999
   6    5    7  Car  Car  Car    120.001
   5    7   10  Car  Car  Car    120.001
   5    7   11  Car  Car   HC    119.997
  11    7   10   HC  Car  Car    120.002
  10    7   11  Car  Car   HC    120.002
  12    9   10   HC  Car  Car    120.002
  10    9   12  Car  Car   HC    120.002


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