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

dimethyl bismuth fluoride   8179 Dimethyl bismuth fluoride

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    #  Species Formula
  8169 TriethylbismuthC6H15Bi
  8170 TriphenylbismuthC18H15Bi
  8171 BiH2-NH2H4NBi
  8172 BiH2-NH2 (Geo)H4NBi
  8173 Bi(III)O6 (JUJVUF) (Geo)C6H9O6Bi
  8174 Bi(III)O6 (JUJVUF)C6H9O6Bi
  8175 Bi(III)O4N4(-) (HADRAG) (Geo)C16H24N4O8Bi
  8176 Bi(III)O4N4(-) (HADRAG)C16H24N4O8Bi
  8177 Bi(III)O10(2-) (CAVZUU) (Geo)C5H5O10Bi
  8178 Bismuth fluorideFBi
  8179 Dimethyl bismuth fluoride C2H6FBi
  8180 Dimethyl bismuth fluoride (Geo)C2H6FBi
  8181 Bi(V)C4F (ILIKAP) (Geo)C24H20FBi
  8182 Bi(V)C4F (ILIKAP)C24H20FBi
  8183 Bismuth difluoride (Geo)F2Bi
  8184 Bismuth difluorideF2Bi
  8185 Bi(V)C2F3 (XULFUF) (Geo)C18H15F2Bi
  8186 Bi(V)C2F3 (XULFUF)C18H15F2Bi
  8187 Bismuth trifluoride (Geo)F3Bi
  8188 Bismuth trifluorideF3Bi
  8189 BiF4(-)F4Bi


ΔHf: -14.8 kcal/mol,     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.
Dipole: 4.8 Debye,     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
Dimethyl bismuth fluoride
 H=-14.8 HR=PW91D D=4.8 DR=PW91D
 Bi     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.94550284 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.30519993 +1   95.0966917 +1    0.0000000 +0     1     2     0
  C     2.30523226 +1   95.0652831 +1   95.9890498 +1     1     2     3
  H     1.09065771 +1  107.6533583 +1   35.6604805 +1     3     1     2
  H     1.08377984 +1  108.9589373 +1  120.2444065 +1     3     1     5
  H     1.08652985 +1  107.7321456 +1  121.4289315 +1     3     1     6
  H     1.08364129 +1  109.2558561 +1 -150.0854185 +1     4     1     2
  H     1.09115047 +1  107.3475363 +1  120.2502999 +1     4     1     8
  H     1.08626548 +1  107.7655106 +1  118.2193535 +1     4     1     9