PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
1-bromo-1,1-difluoroethane
4151 1-Bromo-1,1-difluoroethane
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ΔHf: -113.4 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-Bromo-1,1-difluoroethane
H=-113.36 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.50748950 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 1.33258393 +1 113.5724243 +1 0.0000000 +0 2 1 0
Br 1.97382203 +1 113.3865251 +1 121.2234077 +1 2 1 3
F 1.33275813 +1 113.2394446 +1 -117.8140663 +1 2 1 3
H 1.10259276 +1 112.1103080 +1 -62.1867698 +1 1 2 3
H 1.10258167 +1 112.1065365 +1 177.3808188 +1 1 2 3
H 1.10422636 +1 112.0241645 +1 57.5953284 +1 1 2 3