Accuracy

gamma hexachlorocyclohexane   1821 gamma Hexachlorocyclohexane

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  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 Hexachlorocyclohexane C6H6Cl6
  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
  1831 BromoethaneC2H5Br


ΔHf: -70.7 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  

gamma Hexachlorocyclohexane
 H=-70.7 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52428739 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.52474858 +1  111.1591101 +1    0.0000000 +0     1     2     0
  C     1.52437798 +1  111.0740058 +1  -55.5275344 +1     3     1     2
  C     1.52479062 +1  111.1086299 +1   55.5447825 +1     2     1     3
  C     1.52478737 +1  110.9450418 +1   56.0211612 +1     4     3     1
 Cl     1.77324499 +1  107.8945388 +1  173.6647262 +1     1     2     5
 Cl     1.77359018 +1  107.8690184 +1  173.6237664 +1     2     1     3
 Cl     1.77314674 +1  107.8582753 +1 -173.6037805 +1     3     1     2
 Cl     1.77312210 +1  107.9031740 +1  174.1178525 +1     4     3     1
 Cl     1.77276924 +1  107.9681705 +1 -174.2294496 +1     5     2     1
 Cl     1.77290501 +1  107.9956718 +1 -174.7006313 +1     6     4     3
  H     1.11850416 +1  111.8282185 +1  -70.2453121 +1     1     2     5
  H     1.11833571 +1  111.8965259 +1  -70.2847390 +1     2     1     3
  H     1.11839648 +1  111.8669557 +1   70.2961128 +1     3     1     2
  H     1.11818471 +1  111.9424875 +1  -69.6997161 +1     4     3     1
  H     1.11817630 +1  111.8194666 +1   69.5635941 +1     5     2     1
  H     1.11813777 +1  111.8638842 +1   69.0560062 +1     6     4     3