PM7 Accuracy

hexachlorobenzene   2645 Hexachlorobenzene

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    #  Species Formula
  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 HexachloroethaneC2Cl6
  2644 Hexachlorobenzene (Geo)C6Cl6
  2645 Hexachlorobenzene C6Cl6
  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
  2654 Si2Cl6C2 (FAZKUM)C2Si2Cl8
  2655 Argon, atomAr


DHf: -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