PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

1,2,2-trichloroethane   2567 1,2,2-Trichloroethane

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    #  Species Formula
  2557 Cl3(-)Cl3
  2558 Lithium chloride, trimer (guessed) (Geo)Li3Cl3
  2559 Lithium chloride, trimerLi3Cl3
  2560 Boron trichloride (Geo)BCl3
  2561 Boron trichlorideBCl3
  2562 TrichloromethylCCl3
  2563 Chloroform (Geo)HCCl3
  2564 ChloroformHCCl3
  2565 TrichloroethyleneHC2Cl3
  2566 1,1,1-TrichloroethaneC2H3Cl3
  2567 1,2,2-Trichloroethane C2H3Cl3
  2568 1,2,3-TrichlorobenzeneC6H3Cl3
  2569 1,2,4-TrichlorobenzeneC6H3Cl3
  2570 1,3,5-TrichlorobenzeneC6H3Cl3
  2571 Be(II)Cl3N(-) (FASQUM) (Geo)H7BeC2NCl3
  2572 Be(II)Cl3N(-) (FASQUM)H7BeC2NCl3
  2573 B3N3Cl3H3H3B3N3Cl3
  2574 TrichloroacetaldehydeHC2OCl3
  2575 B3O3Cl3B3O3Cl3
  2576 Trichlorofluoromethane (Geo)CFCl3
  2577 FluorotrichloromethaneCFCl3


ΔHf: -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