SMILES:c1(cnccc1OC)F	

FORMULA: C6H6FNO
MASS: 127.1163
EXACT MASS: 127.0433420
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8333     0.0000 
   N   3    1.4352     0.8233     0.0000 
   C   4    0.8233     1.4352     1.6583     0.0000 
   C   5    1.6508     1.4250     0.8233     1.4352     0.0000 
   C   6    1.4250     1.6466     1.4280     0.8275     0.8250     0.0000 
   O   7    1.4301     2.1913     2.4833     0.8250     2.1886     1.4331 
   C   8    1.6500     2.4833     2.9812     1.4259     2.8610     2.1837 
   F   9    0.8250     1.4359     2.1876     1.4272     2.4757     2.1806 

              O   7      C   8      F   9
              ---------------------------------
   O   7    0.0000 
   C   8    0.8233     0.0000 
   F   9    1.6523     1.4315     0.0000 



ATOMIC CHARGES
   C   1    0.1928525313
   C   2    0.1315489039
   N   3   -0.2397521902
   C   4    0.1690781194
   C   5    0.1021666460
   C   6    0.0598931521
   O   7   -0.4690538472
   C   8    0.2525789601
   F   9   -0.1993122754


BOND ANGLES
   5    3    2  Car  Nar  Car    119.863
   3    2    1  Nar  Car  Car    120.069
   2    3    5  Car  Nar  Car    119.863
   3    5    6  Nar  Car  Car    120.069


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