Accuracy

hexachlorobenzene   1820 Hexachlorobenzene

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    #  Species Formula
  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 HexachloroethaneC2Cl6
  1819 Hexachlorobenzene (Geo)C6Cl6
  1820 Hexachlorobenzene C6Cl6
  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
  1829 Bromoacetylene (Geo)HC2Br
  1830 BromoethyleneC2H3Br


ΔHf: -8.6 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 SHIFT=20
Hexachlorobenzene
 H=-8.6 HR=C&P1970
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39279866 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39283229 +1  119.9847359 +1    0.0000000 +0     2     1     0
  C     1.39278328 +1  119.9947037 +1    0.0123734 +1     3     2     1
  C     1.39275334 +1  120.0118395 +1   -0.0057795 +1     4     3     2
  C     1.39275912 +1  119.9979886 +1   -0.0083836 +1     5     4     3
 Cl     1.69124495 +1  119.9953973 +1 -179.9976968 +1     1     6     5
 Cl     1.69119989 +1  119.9933686 +1 -179.9920741 +1     5     6     1
 Cl     1.69116627 +1  120.0057549 +1  179.9968520 +1     2     1     6
 Cl     1.69118738 +1  120.0021657 +1 -179.9935300 +1     6     1     2
 Cl     1.69118968 +1  120.0020073 +1 -179.9919765 +1     3     2     1
 Cl     1.69125997 +1  119.9937043 +1  179.9970265 +1     4     3     2