Accuracy

c6cl6r   1819 Hexachlorobenzene (Geo)

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    #  Species Formula
  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 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
  1825 Hydrogen bromideHBr
  1826 BromomethaneCH3Br
  1827 Bromomethane (Geo)CH3Br
  1828 BromoacetyleneHC2Br
  1829 Bromoacetylene (Geo)HC2Br


REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  
 SHIFT=20 SYMMETRY
Hexachlorobenzene
 <> <C-Cl> GR=WHSMC03
 
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39232249 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39232249 +0  120.0000000 +0    0.0000000 +0     2     1     0
  C     1.39232249 +0  120.0000000 +0    0.0000000 +0     3     2     1
  C     1.39232249 +0  120.0000000 +0    0.0000000 +0     4     3     2
  C     1.39232249 +0  120.0000000 +0    0.0000000 +0     5     4     3
 Cl     1.71700000 +1  120.0000000 +0  179.9999576 +1     1     6     5
 Cl     1.69122329 +1  119.9884109 +1  179.9998590 +1     5     6     1
 Cl     1.69112055 +1  119.9546788 +1  179.9995366 +1     2     1     6
 Cl     1.69111545 +1  119.9599715 +1 -179.9993888 +1     6     1     2
 Cl     1.69123108 +1  119.9937031 +1 -179.9999583 +1     3     2     1
 Cl     1.69127796 +1  119.9993787 +1  179.9998240 +1     4     3     2
 
   2  1    3    4    5    6