Accuracy

c6cl6r   2641 Hexachlorobenzene (Geo)

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    #  Species Formula
  2631 PentachlorobenzeneHC6Cl5
  2632 PentachlorophenolHC6OCl5
  2633 Silicon pentachloride, anionSiCl5
  2634 Phosphorus pentachloride (Geo)PCl5
  2635 Phosphorus pentachloridePCl5
  2636 Sulfur pentachlorideSCl5
  2637 Be(II)2Cl6(2-) (EQUNUZ) (Geo)Be2Cl6
  2638 Be(II)2Cl6(2-) (EQUNUZ)Be2Cl6
  2639 Hexachloroethane (Geo)C2Cl6
  2640 HexachloroethaneC2Cl6
  2641 Hexachlorobenzene (Geo) C6Cl6
  2642 HexachlorobenzeneC6Cl6
  2643 gamma HexachlorocyclohexaneC6H6Cl6
  2644 Al2Cl6 (Geo)Al2Cl6
  2645 Aluminum trichloride dimerAl2Cl6
  2646 HexachlorodisilaneSi2Cl6
  2647 Hexachloro-1,3,5,2,4,6-triazatriphosphorineN3P3Cl6
  2648 Sulfur hexachloride (Geo)SCl6
  2649 Sulfur hexachlorideSCl6
  2650 Si2Cl6C2 (FAZKUM) (Geo)C2Si2Cl8
  2651 Si2Cl6C2 (FAZKUM)C2Si2Cl8


REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  
 SHIFT=20 SYMMETRY PM7
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