Accuracy

socl3   1800 SOCl3

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    #  Species Formula
  1790 1,2,2-TrichloroethaneC2H3Cl3
  1791 1,2,3-TrichlorobenzeneC6H3Cl3
  1792 1,2,4-TrichlorobenzeneC6H3Cl3
  1793 1,3,5-TrichlorobenzeneC6H3Cl3
  1794 TrichloroacetaldehydeHC2OCl3
  1795 Trichlorofluoromethane (Geo)CFCl3
  1796 FluorotrichloromethaneCFCl3
  1797 1,1',2-Trichloro-1,2,2'-trifluoroethaneC2F3Cl3
  1798 Phosphorus oxychlorideOPCl3
  1799 Phosphorus oxychloride (Geo)OPCl3
  1800 SOCl3 OSCl3
  1801 Carbon tetrachlorideCCl4
  1802 Carbon tetrachloride (Geo)CCl4
  1803 Tetrachloroethylene (Geo)C2Cl4
  1804 TetrachloroethyleneC2Cl4
  1805 1,1,2,2-TetrachloroethaneC2H2Cl4
  1806 1,2,2,2-TetrachloroethaneC2H2Cl4
  1807 1,2,3,4-TetrachlorobenzeneC6H2Cl4
  1808 1,2,3,5-TetrachlorobenzeneC6H2Cl4
  1809 1,2,4,5-TetrachlorobenzeneC6H2Cl4
  1810 Trichloroacetyl chlorideC2O2Cl4


ΔHf: -47.5 kcal/mol,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  

SOCl3
 H=-47.5 HR=WHSMC03
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.05708297 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.05559719 +1  101.7723465 +1    0.0000000 +0     1     2     0
 Cl     2.05616793 +1  101.3124335 +1  104.6811191 +1     1     2     3
  O     1.41273733 +1  115.8796460 +1  127.5569660 +1     1     2     4