PM7 Accuracy

trichloroacetyl chloride   2611 Trichloroacetyl chloride

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    #  Species Formula
  2601 B4Cl4 (Geo)B4Cl4
  2602 Carbon tetrachlorideCCl4
  2603 Carbon tetrachloride (Geo)CCl4
  2604 Tetrachloroethylene (Geo)C2Cl4
  2605 TetrachloroethyleneC2Cl4
  2606 1,1,2,2-TetrachloroethaneC2H2Cl4
  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 chloride C2O2Cl4
  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
  2617 Al(III)Cl4(-) (CALZUK) (Geo)AlCl4
  2618 Al(III)Cl4(-) (CALZUK)AlCl4
  2619 LiAlCl4LiAlCl4
  2620 Al(III)CCl3 (MALCLD) (Geo)C2H6Al2Cl4
  2621 Al(III)CCl3 (MALCLD)C2H6Al2Cl4


DHf: -60.5 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
Trichloroacetyl chloride
 H=-60.5 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.51900261  1    0.0000000  0    0.0000000  0     1     0     0
 Cl     1.74940549  1  114.0554375  1    0.0000000  0     2     1     0
 Cl     1.75313981  1  107.2816760  1  120.9039526  1     2     1     3
  O     1.19540403  1  125.5787548  1 -179.5004556  1     1     2     3
  O     1.36109190  1  108.9751087  1    0.5676990  1     1     2     3
 Cl     1.75328741  1  107.2039119  1   59.6506309  1     2     1     5
 Cl     1.67557794  1  113.1127989  1  179.9395093  1     6     1     2