PM7 Accuracy

bromopentafluorobenzene   4170 Bromopentafluorobenzene

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    #  Species Formula
  4160 BromodifluoroboraneBF2Br
  4161 BromodifluoromethaneHCF2Br
  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 Bromopentafluorobenzene C6F5Br
  4171 Neon bromide anion (Geo)NeBr
  4172 Sodium bromide (Geo)NaBr
  4173 Sodium bromideNaBr
  4174 Magnesium bromideMgBr
  4175 Magnesium bromide (Geo)MgBr
  4176 Mg(II)O2Br(+) (BASLIQ) (Geo)C8H16O2MgBr
  4177 Mg(II)CBrO2 (EMGBRE10) (Geo)C10H25O2MgBr
  4178 Mg(II)CBrO2 (EMGBRE10)C10H25O2MgBr
  4179 EtMgBr.(Et2O)2 (Geo)C10H25O2MgBr
  4180 Aluminum bromide (Geo)AlBr


DHf: -191.3 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
Bromopentafluorobenzene
 H=-191.3 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39433784  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39448877  1  118.7864342  1    0.0000000  0     2     1     0
  C     1.39950145  1  120.9598131  1   -0.0238491  1     3     2     1
  C     1.39777640  1  119.8067352  1    0.0042606  1     4     3     2
  C     1.39780176  1  119.6810963  1    0.0069447  1     5     4     3
  F     1.31704789  1  120.1833121  1 -179.9607292  1     1     2     3
 Br     1.87332070  1  120.6301937  1  179.9730518  1     2     1     3
  F     1.31691921  1  120.1740181  1 -179.9958730  1     3     2     4
  F     1.31681739  1  120.0859701  1 -179.9849337  1     4     3     5
  F     1.31551763  1  120.1954655  1 -179.9994054  1     5     4     6
  F     1.31695203  1  120.0870740  1  179.9934995  1     6     5     4