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

bromotrifluoromethane   4154 Bromotrifluoromethane

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    #  Species Formula
  4144 Li(+)(H2O)5.BrH10LiO5Br
  4145 Li(+)(H2O)5.Br (Geo)H10LiO5Br
  4146 Bromine fluoride (Geo)FBr
  4147 Bromine fluorideFBr
  4148 Perbromyl fluoride (Geo)O3FBr
  4149 BromodifluoroboraneBF2Br
  4150 BromodifluoromethaneHCF2Br
  4151 1-Bromo-1,1-difluoroethaneC2H3F2Br
  4152 Bromine trifluoride (Geo)F3Br
  4153 Bromine trifluorideF3Br
  4154 Bromotrifluoromethane CF3Br
  4155 Trifluorobromomethane (Geo)CF3Br
  4156 1-Bromo-2,2,2-trifluoroethaneC2H2F3Br
  4157 Bromine pentafluoride (Geo)F5Br
  4158 Bromine pentafluorideF5Br
  4159 BromopentafluorobenzeneC6F5Br
  4160 Neon bromide anion (Geo)NeBr
  4161 Sodium bromide (Geo)NaBr
  4162 Sodium bromideNaBr
  4163 Magnesium bromideMgBr
  4164 Magnesium bromide (Geo)MgBr


ΔHf: -155.1 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
Dipole: 0.6 Debye,     REF: A. P. Cox, G. Duxbury, J. A. Hardy, Y. Kawashima J. Chem. Soc. Faraday 2 76, 339 (1980).
I.P.: 12.1 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 SYMMETRY PM7
Bromotrifluoromethane
 H=-155.1 HR=JANAF86 I=12.1 IR=LLNBS82 D=0.65 DR=CDHK1980
 Br     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.93848759 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.32199471 +1  111.6443364 +1    0.0000000 +0     2     1     0
  F     1.32199471 +1  111.6443364 +1  120.0000000 +1     2     1     3
  F     1.32199471 +1  111.6443364 +1 -120.0000000 +1     2     1     3