PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
1-bromo-2,2,2-trifluoroethane
4156 1-Bromo-2,2,2-trifluoroethane
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ΔHf: -166.0 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-Bromo-2,2,2-trifluoroethane
H=-166.0 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.52152094 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 1.33096353 +1 114.2595798 +1 0.0000000 +0 2 1 0
F 1.33088775 +1 114.2978387 +1 121.1451564 +1 2 1 3
F 1.33425657 +1 112.8170456 +1 -119.3967441 +1 2 1 3
Br 1.94000577 +1 110.3381671 +1 -60.8660122 +1 1 2 3
H 1.10749763 +1 111.7764502 +1 179.4250343 +1 1 2 3
H 1.10751920 +1 111.7745054 +1 58.8345815 +1 1 2 3