SMILES:c1(cc(c(cc1)C)Cl)O	

FORMULA: C7H7ClO
MASS: 142.5829
EXACT MASS: 142.0185425
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.2501     0.0000 
   C   3    2.1651     1.2500     0.0000 
   C   4    2.5000     2.1650     1.2500     0.0000 
   C   5    2.1652     2.5001     2.1651     1.2500     0.0000 
   C   6    1.2500     2.1651     2.5000     2.1651     1.2501     0.0000 
   C   7    3.7500     3.3071     2.1650     1.2500     2.1650     3.3072 
  Cl   8    3.3072     2.1650     1.2500     2.1650     3.3072     3.7500 
   O   9    1.2500     2.1651     3.3072     3.7500     3.3073     2.1650 

              C   7     Cl   8      O   9
              ---------------------------------
   C   7    0.0000 
  Cl   8    2.5000     0.0000 
   O   9    5.0000     4.3301     0.0000 



ATOMIC CHARGES
   C   1    0.1965680447
   C   2    0.0530879323
   C   3    0.0568865900
   C   4   -0.0110657967
   C   5   -0.0001414184
   C   6    0.0417605293
   C   7    0.0319137648
  Cl   8   -0.0824677931
   O   9   -0.2865418528


BOND ANGLES
   6    1    2  Car  Car  Car    119.998
   1    2    3  Car  Car  Car    120.001
   9    1    2   O3  Car  Car    120.001
   1    2    3  Car  Car  Car    120.001
   8    3    4   Cl  Car  Car    120.001
   3    4    5  Car  Car  Car    120.005
   3    4    7  Car  Car   C3    120.001
   7    4    5   C3  Car  Car    119.995
   4    5    6  Car  Car  Car    119.993
   2    1    6  Car  Car  Car    119.998
   9    1    6   O3  Car  Car    120.001
   5    4    7  Car  Car   C3    119.995
   4    3    8  Car  Car   Cl    120.001
   2    1    9  Car  Car   O3    120.001
   6    1    9  Car  Car   O3    120.001


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