Accuracy
1,1,1-tribromoethane
4350 1,1,1-Tribromoethane
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Geometry predicted using PM7
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