Accuracy

pentachloroethane   1814 Pentachloroethane

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    #  Species Formula
  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
  1811 2,3,5,6-Tetrachloro-1,4-benzoquinoneC6O2Cl4
  1812 2,3,5,6-Tetrachloro-1,4-benzoquinone (Geo)C6O2Cl4
  1813 SOCl4OSCl4
  1814 Pentachloroethane HC2Cl5
  1815 PentachlorobenzeneHC6Cl5
  1816 PentachlorophenolHC6OCl5
  1817 Hexachloroethane (Geo)C2Cl6
  1818 HexachloroethaneC2Cl6
  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


ΔHf: -33.9 kcal/mol,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  

Pentachloroethane
 H=-33.9 HR=WHSMC03
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.51151542 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     1.76283280 +1  109.6212357 +1    0.0000000 +0     1     2     0
 Cl     1.75249498 +1  112.3660794 +1  121.0709507 +1     1     2     3
 Cl     1.76496875 +1  109.5698394 +1  120.8918653 +1     1     2     4
 Cl     1.76169574 +1  110.0957814 +1  179.4581359 +1     2     1     3
 Cl     1.76242025 +1  109.9922357 +1  119.3311980 +1     2     1     6
  H     1.11671189 +1  113.5077300 +1  120.3186063 +1     2     1     7