PM7 Accuracy

bromodifluoromethane   4161 Bromodifluoromethane

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
  4151 BrNO (Geo)NOBr
  4152 Nitrosyl bromideNOBr
  4153 Li(I)O4Br (CESJUF) (Geo)H20LiC8O4Br
  4154 Li(I)O4Br (CESJUF)H20LiC8O4Br
  4155 Li(+)(H2O)5.BrH10LiO5Br
  4156 Li(+)(H2O)5.Br (Geo)H10LiO5Br
  4157 Bromine fluoride (Geo)FBr
  4158 Bromine fluorideFBr
  4159 Perbromyl fluoride (Geo)O3FBr
  4160 BromodifluoroboraneBF2Br
  4161 Bromodifluoromethane HCF2Br
  4162 1-Bromo-1,1-difluoroethaneC2H3F2Br
  4163 Bromine trifluoride (Geo)F3Br
  4164 Bromine trifluorideF3Br
  4165 BromotrifluoromethaneCF3Br
  4166 Trifluorobromomethane (Geo)CF3Br
  4167 1-Bromo-2,2,2-trifluoroethaneC2H2F3Br
  4168 Bromine pentafluoride (Geo)F5Br
  4169 Bromine pentafluorideF5Br
  4170 BromopentafluorobenzeneC6F5Br
  4171 Neon bromide anion (Geo)NeBr


DHf: -101.6 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
Bromodifluoromethane
 H=-101.6 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
 Br     1.96084261  1    0.0000000  0    0.0000000  0     1     0     0
  F     1.33236842  1  107.2357223  1    0.0000000  0     1     2     0
  F     1.33234653  1  107.3172989  1  111.3286839  1     1     2     3
  H     1.12456868  1  111.0892932  1 -124.3245855  1     1     2     3