PM7 Accuracy

hexachloroethane   2643 Hexachloroethane

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    #  Species Formula
  2633 PentachloroethaneHC2Cl5
  2634 PentachlorobenzeneHC6Cl5
  2635 PentachlorophenolHC6OCl5
  2636 Silicon pentachloride, anionSiCl5
  2637 Phosphorus pentachloride (Geo)PCl5
  2638 Phosphorus pentachloridePCl5
  2639 Sulfur pentachlorideSCl5
  2640 Be(II)2Cl6(2-) (EQUNUZ) (Geo)Be2Cl6
  2641 Be(II)2Cl6(2-) (EQUNUZ)Be2Cl6
  2642 Hexachloroethane (Geo)C2Cl6
  2643 Hexachloroethane C2Cl6
  2644 Hexachlorobenzene (Geo)C6Cl6
  2645 HexachlorobenzeneC6Cl6
  2646 gamma HexachlorocyclohexaneC6H6Cl6
  2647 Al2Cl6 (Geo)Al2Cl6
  2648 Aluminum trichloride dimerAl2Cl6
  2649 HexachlorodisilaneSi2Cl6
  2650 Hexachloro-1,3,5,2,4,6-triazatriphosphorineN3P3Cl6
  2651 Sulfur hexachloride (Geo)SCl6
  2652 Sulfur hexachlorideSCl6
  2653 Si2Cl6C2 (FAZKUM) (Geo)C2Si2Cl8


DHf: -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 PM7
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