Accuracy

1,1',2-trichloro-1,2,2'-trifluoroethane   2577 1,1',2-Trichloro-1,2,2'-trifluoroethane

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  2567 1,2,3-TrichlorobenzeneC6H3Cl3
  2568 1,2,4-TrichlorobenzeneC6H3Cl3
  2569 1,3,5-TrichlorobenzeneC6H3Cl3
  2570 Be(II)Cl3N(-) (FASQUM) (Geo)H7BeC2NCl3
  2571 Be(II)Cl3N(-) (FASQUM)H7BeC2NCl3
  2572 B3N3Cl3H3H3B3N3Cl3
  2573 TrichloroacetaldehydeHC2OCl3
  2574 B3O3Cl3B3O3Cl3
  2575 Trichlorofluoromethane (Geo)CFCl3
  2576 FluorotrichloromethaneCFCl3
  2577 1,1',2-Trichloro-1,2,2'-trifluoroethane C2F3Cl3
  2578 Aluminum trichloride (Geo)AlCl3
  2579 Aluminum trichlorideAlCl3
  2580 Al(III)Cl3N (CMAMAL01) (Geo)C3H9NAlCl3
  2581 Al(III)Cl3N (CMAMAL01)C3H9NAlCl3
  2582 Trimethyamine-Aluminum trichloride (Geo)C3H9NAlCl3
  2583 TrichlorosilylSiCl3
  2584 TrichlorosilaneHSiCl3
  2585 Trichloromethylsilane (Geo)CH3SiCl3
  2586 TrichloromethylsilaneCH3SiCl3
  2587 Phosphorus trichloride (+)PCl3


ΔHf: -173.7 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
1,1',2-Trichloro-1,2,2'-trifluoroethane
 H=-173.7 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.55818901 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.33054760 +1  109.9544932 +1    0.0000000 +0     1     2     0
 Cl     1.75819792 +1  115.1113080 +1 -121.9924571 +1     1     2     3
 Cl     1.75245228 +1  113.4434218 +1  118.1827147 +1     2     1     3
 Cl     1.75434544 +1  110.9004523 +1 -117.8486238 +1     2     1     3
  F     1.33074751 +1  111.7644144 +1 -126.4515134 +1     1     2     5
  F     1.33395484 +1  108.8133000 +1   -0.3280325 +1     2     1     3