SMILES:c1(c(ccs1)Cl)C(=O)Cl	

FORMULA: C5H2Cl2OS
MASS: 181.0398
EXACT MASS: 179.9203410
INTERATOMIC DISTANCES

              C   1      C   2      C   3      S   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.4112     0.0000 
   C   3    1.4196     2.5153     0.0000 
   S   4    1.4705     2.3125     2.5967     0.0000 
   C   5    2.3292     1.4146     3.6948     2.3434     0.0000 
   C   6    2.3500     2.3164     3.7331     1.4375     1.4680     0.0000 
   O   7    2.4509     2.9316     1.4221     3.8560     4.3233     4.7654 
  Cl   8    2.4598     3.7869     1.4149     3.0399     4.7721     4.4241 
  Cl   9    2.5215     1.4375     3.0482     3.7066     2.5234     3.7090 

              O   7     Cl   8     Cl   9
              ---------------------------------
   O   7    0.0000 
  Cl   8    2.4618     0.0000 
  Cl   9    2.7427     4.4601     0.0000 



ATOMIC CHARGES
   C   1    0.0901780040
   C   2    0.0681297739
   C   3    0.2603580515
   S   4   -0.0814729473
   C   5    0.0190062426
   C   6    0.0364636967
   O   7   -0.2733654123
  Cl   8   -0.0377243388
  Cl   9   -0.0815730704


BOND ANGLES
   5    6    4  Car  Car   S2    107.510
   6    4    1  Car   S2  Car    107.819
   4    6    5   S2  Car  Car    107.510
   6    5    2  Car  Car  Car    106.928


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