Accuracy

1,1,1-trichloroethane   1789 1,1,1-Trichloroethane

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    #  Species Formula
  1779 Thionyl chloride (Geo)OSCl2
  1780 Thionyl chlorideOSCl2
  1781 Sulfuryl chloride (Geo)O2SCl2
  1782 Sulfuryl chlorideO2SCl2
  1783 O-Methyldichlorothiophosphate (Geo)CH3OPSCl2
  1784 S-Methyldichlorothiophosphate (Geo)CH3OPSCl2
  1785 TrichloromethylCCl3
  1786 Chloroform (Geo)HCCl3
  1787 ChloroformHCCl3
  1788 TrichloroethyleneHC2Cl3
  1789 1,1,1-Trichloroethane C2H3Cl3
  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


ΔHf: -35.5 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 SYMMETRY
1,1,1-Trichloroethane
 H=-35.5 HR=C&P1970 S=77.22 CP=22.3
 
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.49228233 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     1.76790956 +1  110.9765865 +1    0.0000000 +0     2     1     0
 Cl     1.76790956 +0  110.9765865 +0  120.0000000 +0     2     1     3
 Cl     1.76790956 +0  110.9765865 +0 -120.0000000 +0     2     1     3
  H     1.10563263 +1  112.5010842 +1   60.0000000 +0     1     2     3
  H     1.10563263 +0  112.5010842 +0  180.0000000 +0     1     2     3
  H     1.10563263 +0  112.5010842 +0  -60.0000000 +0     1     2     3
 
   3  1    4    5
   6  1    7    8
   3  2    4    5
   6  2    7    8