PM7 Accuracy

gamma hexachlorocyclohexane   2646 gamma Hexachlorocyclohexane

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    #  Species Formula
  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 HexachlorobenzeneC6Cl6
  2646 gamma Hexachlorocyclohexane C6H6Cl6
  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
  2656 Argon lithium cation (Geo)LiAr


DHf: -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.
  
 PM7
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