PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

hexachlorobenzene   2643 Hexachlorobenzene

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    #  Species Formula
  2633 PentachlorophenolHC6OCl5
  2634 Silicon pentachloride, anionSiCl5
  2635 Phosphorus pentachloride (Geo)PCl5
  2636 Phosphorus pentachloridePCl5
  2637 Sulfur pentachlorideSCl5
  2638 Be(II)2Cl6(2-) (EQUNUZ) (Geo)Be2Cl6
  2639 Be(II)2Cl6(2-) (EQUNUZ)Be2Cl6
  2640 Hexachloroethane (Geo)C2Cl6
  2641 HexachloroethaneC2Cl6
  2642 Hexachlorobenzene (Geo)C6Cl6
  2643 Hexachlorobenzene C6Cl6
  2644 gamma HexachlorocyclohexaneC6H6Cl6
  2645 Al2Cl6 (Geo)Al2Cl6
  2646 Aluminum trichloride dimerAl2Cl6
  2647 HexachlorodisilaneSi2Cl6
  2648 Hexachloro-1,3,5,2,4,6-triazatriphosphorineN3P3Cl6
  2649 Sulfur hexachloride (Geo)SCl6
  2650 Sulfur hexachlorideSCl6
  2651 Si2Cl6C2 (FAZKUM) (Geo)C2Si2Cl8
  2652 Si2Cl6C2 (FAZKUM)C2Si2Cl8
  2653 Argon, atomAr


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 PM7
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