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

brsf5r   4177 Sulfur pentafluoride bromide (Geo)

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    #  Species Formula
  4167 Mg(II)CBrO2 (EMGBRE10)C10H25O2MgBr
  4168 EtMgBr.(Et2O)2 (Geo)C10H25O2MgBr
  4169 Aluminum bromide (Geo)AlBr
  4170 Silicon bromideSiBr
  4171 BromosilaneH3SiBr
  4172 TrimethylbromosilaneC3H9SiBr
  4173 Trifluorobromosilane (Geo)F3SiBr
  4174 SiC3Br (BRMSAD) (Geo)C9H21Si4Br
  4175 SiC3Br (BRMSAD)C9H21Si4Br
  4176 Phosphorus bromidePBr
  4177 Sulfur pentafluoride bromide (Geo) F5SBr
  4178 Thiophosphoryl monobromide difluoride (Geo)F2PSBr
  4179 Bromine chloride, cationClBr
  4180 Bromine chloride (Geo)ClBr
  4181 Bromine chlorideClBr
  4182 BromochloromethaneCH2ClBr
  4183 Bromochloromethane (Geo)CH2ClBr
  4184 1-Bromo-1-chloroethaneC2H4ClBr
  4185 5-Chloro-8-bromo-8-hydroxyquinolineC9H5NOClBr
  4186 TrichlorobromomethaneCCl3Br
  4187 Argon bromide anion (Geo)ArBr


REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PM7
Sulfur pentafluoride bromide
 GR=PW91D <S-Br> <S-F(eq)> <Br-S-F(eq)> <S-F(ax)>
 Br     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.30300000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.64700000 +1   90.9500000 +1    0.0000000 +0     2     1     0
  F     1.63500000 +1  180.0000000 +0  180.0000000 +0     2     1     3
  F     1.55440404 +1   91.1583663 +1  180.0000000 +0     2     1     3
  F     1.54656642 +1   91.1956745 +1   90.0000000 +0     2     1     3
  F     1.54656652 +1   91.1960191 +1  -90.0000000 +0     2     1     3