PM7 Accuracy

1,1,2,2-tetrachloroethane   2606 1,1,2,2-Tetrachloroethane

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    #  Species Formula
  2596 SOCl3OSCl3
  2597 Phosphorus thiochloridePSCl3
  2598 Thiophosphoryl chloride (Geo)PSCl3
  2599 B2Cl4B2Cl4
  2600 B2Cl4 (Geo)B2Cl4
  2601 B4Cl4 (Geo)B4Cl4
  2602 Carbon tetrachlorideCCl4
  2603 Carbon tetrachloride (Geo)CCl4
  2604 Tetrachloroethylene (Geo)C2Cl4
  2605 TetrachloroethyleneC2Cl4
  2606 1,1,2,2-Tetrachloroethane C2H2Cl4
  2607 1,2,2,2-TetrachloroethaneC2H2Cl4
  2608 1,2,3,4-TetrachlorobenzeneC6H2Cl4
  2609 1,2,3,5-TetrachlorobenzeneC6H2Cl4
  2610 1,2,4,5-TetrachlorobenzeneC6H2Cl4
  2611 Trichloroacetyl chlorideC2O2Cl4
  2612 2,3,5,6-Tetrachloro-1,4-benzoquinoneC6O2Cl4
  2613 2,3,5,6-Tetrachloro-1,4-benzoquinone (Geo)C6O2Cl4
  2614 Mg(II)Cl4(2-) (DUPCOG) (Geo)MgCl4
  2615 Mg(II)Cl4(2-) (DUPCOG)MgCl4
  2616 Magnesium dichloride, dimerMg2Cl4


DHf: -37.2 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
1,1,2,2-Tetrachloroethane
 H=-37.2 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.50767950  1    0.0000000  0    0.0000000  0     1     0     0
 Cl     1.76740463  1  109.1688473  1    0.0000000  0     1     2     0
 Cl     1.76643779  1  109.2713129  1  117.6562256  1     1     2     3
 Cl     1.76692134  1  109.2659663  1 -179.7362500  1     2     1     3
 Cl     1.76716464  1  109.1653612  1   62.6141499  1     2     1     3
  H     1.11414418  1  115.0663864  1   59.2160671  1     1     2     5
  H     1.11410126  1  115.0466069  1  -58.5813194  1     2     1     3