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

1,1,1-tribromoethane   4352 1,1,1-Tribromoethane

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  4342 Zn(II)O2Br2 (CARYUP) (Geo)H4O2ZnBr2
  4343 Zn(II)O2Br2 (CARYUP)H4O2ZnBr2
  4344 Germanium dibromide (Geo)GeBr2
  4345 Germanium dibromideGeBr2
  4346 As(V)C2Br3 (DMEASB) (Geo)C14H14As2Br2
  4347 As(V)C2Br3 (DMEASB)C14H14As2Br2
  4348 Selenium dibromideSeBr2
  4349 Boron tribromide (Geo)BBr3
  4350 Boron tribromideBBr3
  4351 BromoformHCBr3
  4352 1,1,1-Tribromoethane C2H3Br3
  4353 2,4,6-TribromoanilineC6H4NBr3
  4354 Aluminum tribromide (Geo)AlBr3
  4355 Aluminum tribromideAlBr3
  4356 Br3Al-NH3 (Geo)H3NAlBr3
  4357 TribromosilaneHSiBr3
  4358 Phosphorus tribromide (Geo)PBr3
  4359 Phosphorus tribromidePBr3
  4360 Phosphorus oxybromideOPBr3
  4361 Phosphorus oxybromide (Geo)OPBr3
  4362 Phosphorus thiobromidePSBr3


ΔHf: -1.1 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
1,1,1-Tribromoethane
 H=-1.1 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.49839045 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     1.95936413 +1  110.4040628 +1    0.0000000 +0     2     1     0
 Br     1.95937711 +1  110.3996364 +1  120.0039298 +1     2     1     3
 Br     1.95936919 +1  110.3928565 +1 -119.9996225 +1     2     1     3
  H     1.10449437 +1  112.7157673 +1 -179.8829189 +1     1     2     3
  H     1.10449925 +1  112.7180718 +1   60.1243009 +1     1     2     3
  H     1.10451185 +1  112.7250418 +1  -59.8808594 +1     1     2     3