Accuracy

hexachloroethane   1818 Hexachloroethane

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    #  Species Formula
  1808 1,2,3,5-TetrachlorobenzeneC6H2Cl4
  1809 1,2,4,5-TetrachlorobenzeneC6H2Cl4
  1810 Trichloroacetyl chlorideC2O2Cl4
  1811 2,3,5,6-Tetrachloro-1,4-benzoquinoneC6O2Cl4
  1812 2,3,5,6-Tetrachloro-1,4-benzoquinone (Geo)C6O2Cl4
  1813 SOCl4OSCl4
  1814 PentachloroethaneHC2Cl5
  1815 PentachlorobenzeneHC6Cl5
  1816 PentachlorophenolHC6OCl5
  1817 Hexachloroethane (Geo)C2Cl6
  1818 Hexachloroethane C2Cl6
  1819 Hexachlorobenzene (Geo)C6Cl6
  1820 HexachlorobenzeneC6Cl6
  1821 gamma HexachlorocyclohexaneC6H6Cl6
  1822 Hexachloro-1,3,5,2,4,6-triazatriphosphorineN3P3Cl6
  1823 Hydrogen bromide, cationHBr
  1824 Hydrogen bromide (Geo)HBr
  1825 Hydrogen bromideHBr
  1826 BromomethaneCH3Br
  1827 Bromomethane (Geo)CH3Br
  1828 BromoacetyleneHC2Br


ΔHf: -34.5 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 11.2 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 SYMMETRY
Hexachloroethane
 H=-34.5 HR=C&P1970 I=11.2 IR=LLNBS82
 
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.51834378 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     1.75832760 +1  110.5003391 +1    0.0000000 +0     2     1     0
 Cl     1.75832760 +1  110.5003391 +1  120.0000000 +1     2     1     3
 Cl     1.75832760 +1  110.5003391 +1 -120.0000000 +1     2     1     3
 Cl     1.75832760 +1  110.5003391 +1   60.0000000 +1     1     2     3
 Cl     1.75832760 +1  110.5003391 +1  180.0000000 +1     1     2     3
 Cl     1.75832760 +1  110.5003391 +1  -60.0000000 +1     1     2     3
 
   3  1    4    5    6    7    8
   3  2    4    5    6    7    8