Accuracy

1-bromo-2,2,2-trifluoroethane   4154 1-Bromo-2,2,2-trifluoroethane

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    #  Species Formula
  4144 Bromine fluoride (Geo)FBr
  4145 Bromine fluorideFBr
  4146 Perbromyl fluoride (Geo)O3FBr
  4147 BromodifluoroboraneBF2Br
  4148 BromodifluoromethaneHCF2Br
  4149 1-Bromo-1,1-difluoroethaneC2H3F2Br
  4150 Bromine trifluoride (Geo)F3Br
  4151 Bromine trifluorideF3Br
  4152 BromotrifluoromethaneCF3Br
  4153 Trifluorobromomethane (Geo)CF3Br
  4154 1-Bromo-2,2,2-trifluoroethane C2H2F3Br
  4155 Bromine pentafluoride (Geo)F5Br
  4156 Bromine pentafluorideF5Br
  4157 BromopentafluorobenzeneC6F5Br
  4158 Neon bromide anion (Geo)NeBr
  4159 Sodium bromide (Geo)NaBr
  4160 Sodium bromideNaBr
  4161 Magnesium bromideMgBr
  4162 Magnesium bromide (Geo)MgBr
  4163 Mg(II)O2Br(+) (BASLIQ) (Geo)C8H16O2MgBr
  4164 Mg(II)CBrO2 (EMGBRE10) (Geo)C10H25O2MgBr


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