PM7 Accuracy

1,2,2-trichloroethane   2569 1,2,2-Trichloroethane

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    #  Species Formula
  2559 Cl3(-)Cl3
  2560 Lithium chloride, trimer (guessed) (Geo)Li3Cl3
  2561 Lithium chloride, trimerLi3Cl3
  2562 Boron trichloride (Geo)BCl3
  2563 Boron trichlorideBCl3
  2564 TrichloromethylCCl3
  2565 Chloroform (Geo)HCCl3
  2566 ChloroformHCCl3
  2567 TrichloroethyleneHC2Cl3
  2568 1,1,1-TrichloroethaneC2H3Cl3
  2569 1,2,2-Trichloroethane C2H3Cl3
  2570 1,2,3-TrichlorobenzeneC6H3Cl3
  2571 1,2,4-TrichlorobenzeneC6H3Cl3
  2572 1,3,5-TrichlorobenzeneC6H3Cl3
  2573 Be(II)Cl3N(-) (FASQUM) (Geo)H7BeC2NCl3
  2574 Be(II)Cl3N(-) (FASQUM)H7BeC2NCl3
  2575 B3N3Cl3H3H3B3N3Cl3
  2576 TrichloroacetaldehydeHC2OCl3
  2577 B3O3Cl3B3O3Cl3
  2578 Trichlorofluoromethane (Geo)CFCl3
  2579 FluorotrichloromethaneCFCl3


DHf: -35.4 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
1,2,2-Trichloroethane
 H=-35.42 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.50382231  1    0.0000000  0    0.0000000  0     1     0     0
 Cl     1.77322196  1  108.0938622  1    0.0000000  0     1     2     0
 Cl     1.77406835  1  108.3599875  1 -166.3770839  1     2     1     3
 Cl     1.76713731  1  110.0350157  1   75.4472758  1     2     1     3
  H     1.10881780  1  113.9152401  1   74.7266120  1     1     2     4
  H     1.10869374  1  113.0205358  1  -48.4748863  1     1     2     4
  H     1.11195098  1  115.4067110  1  -46.3327876  1     2     1     3