SMILES:C(=C\C(=O)OC)(C(Cl)Cl)\C(Cl)Cl	

FORMULA: C6H6Cl4O2
MASS: 251.9226
EXACT MASS: 249.9121902
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8250     0.0000 
   C   3    0.8249     1.4289     0.0000 
   C   4    0.8250     1.4290     1.4289     0.0000 
   C   5    1.4290     0.8250     2.1827     1.6500     0.0000 
   O   6    2.1828     1.4290     2.8579     2.4750     0.8250     0.0000 
   O   7    1.6501     1.4290     2.4750     1.4290     0.8250     1.4290 
   C   8    2.8579     2.1828     3.5961     2.9746     1.4290     0.8250 
  Cl   9    1.4289     2.1827     0.8250     1.6500     2.8579     3.5961 
  Cl  10    1.4289     1.6500     0.8250     2.1827     2.4750     2.9746 
  Cl  11    1.4290     2.1828     1.6500     0.8250     2.4750     3.3000 
  Cl  12    1.4290     1.6501     2.1827     0.8250     1.4290     2.1828 

              O   7      C   8     Cl   9     Cl  10     Cl  11     Cl  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    1.6500     0.0000 
  Cl   9    2.9746     4.2868     0.0000 
  Cl  10    2.9746     3.7806     1.4290     0.0000 
  Cl  11    2.1828     3.7806     1.4289     2.4750     0.0000 
  Cl  12    0.8250     2.4750     2.4750     2.8579     1.4290     0.0000 




ATOMIC CHARGES
   C   1    0.0218532909
   C   2    0.0781419460
   C   3    0.1794077037
   C   4    0.1794077037
   C   5    0.3410457825
   O   6   -0.4413379510
   O   7   -0.2449099844
   C   8    0.2559503263
  Cl   9   -0.0923897044
  Cl  10   -0.0923897044
  Cl  11   -0.0923897044
  Cl  12   -0.0923897044


BOND ANGLES
   4    1    2   C3   C2   C2    119.999
   1    2    5   C2   C2   C2    119.999
   3    1    2   C3   C2   C2    120.002
   1    2    5   C2   C2   C2    119.999
   6    5    7   O3   C2   O2    119.999
   2    1    4   C2   C2   C3    119.999
   1    4   11   C2   C3   Cl    119.999
   1    4   12   C2   C3   Cl    120.002
   3    1    4   C3   C2   C3    119.999
   1    4   11   C2   C3   Cl    119.999
   1    4   12   C2   C3   Cl    120.002
  10    3    9   Cl   C3   Cl    119.999
   9    3   10   Cl   C3   Cl    119.999
   2    1    3   C2   C2   C3    120.002
   1    3    9   C2   C3   Cl    120.002
   1    3   10   C2   C3   Cl    119.999
   4    1    3   C3   C2   C3    119.999
   1    3    9   C2   C3   Cl    120.002
   1    3   10   C2   C3   Cl    119.999
  12    4   11   Cl   C3   Cl    119.999
   7    5    6   O2   C2   O3    119.999
   5    6    8   C2   O3   C3    119.999
  11    4   12   Cl   C3   Cl    119.999


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


CHIRAL ATOMS
   C     3 is chiral: counterclockwise
   C     4 is chiral: counterclockwise