SMILES:c1(cc(ccc1F)Br)F	

FORMULA: C6H3BrF2
MASS: 192.9888
EXACT MASS: 191.9386185
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      F   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.4210     0.0000 
   C   3    1.4327     2.4730     0.0000 
   C   4    2.4791     2.8555     1.4354     0.0000 
   C   5    2.4784     1.4322     2.8692     2.4818     0.0000 
   F   6    1.4354     2.4768     2.4791     3.7894     3.7906     0.0000 
   F   7    2.4852     3.7847     1.4372     2.4928     4.3064     2.8603 
   C   8    2.8535     2.4741     2.4716     1.4179     1.4392     4.2889 
  Br   9    3.7957     2.4980     4.3036     3.7860     1.4345     4.9747 

              F   7      C   8     Br   9
              ---------------------------------
   F   7    0.0000 
   C   8    3.7866     0.0000 
  Br   9    5.7408     2.4856     0.0000 



ATOMIC CHARGES
   C   1    0.1678731952
   C   2    0.0386534246
   C   3    0.1674137189
   C   4    0.0324699857
   C   5    0.0369469141
   F   6   -0.2017823484
   F   7   -0.2017984199
   C   8    0.0091473803
  Br   9   -0.0489238505


BOND ANGLES
   8    5    2  Car  Car  Car    119.001
   5    2    1  Car  Car  Car    120.602
   2    5    8  Car  Car  Car    119.001
   5    8    4  Car  Car  Car    120.601


TORSION ANGLES
   5    2    1    3      0.026
   5    2    1    6    179.974
   4    3    1    2      0.026
   4    3    1    6    179.974
   7    3    1    2    179.974
   7    3    1    6      0.026
   8    4    3    1      0.026
   8    4    3    7    179.974
   9    5    2    1    179.974
   8    5    2    1      0.026
   5    8    4    3      0.026
   2    5    8    4      0.026
   9    5    8    4    179.974