Accuracy

bismuth trifluoride   8187 Bismuth trifluoride

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    #  Species Formula
  8177 Bismuth fluorideFBi
  8178 Dimethyl bismuth fluorideC2H6FBi
  8179 Dimethyl bismuth fluoride (Geo)C2H6FBi
  8180 Bi(V)C4F (ILIKAP) (Geo)C24H20FBi
  8181 Bi(V)C4F (ILIKAP)C24H20FBi
  8182 Bismuth difluoride (Geo)F2Bi
  8183 Bismuth difluorideF2Bi
  8184 Bi(V)C2F3 (XULFUF) (Geo)C18H15F2Bi
  8185 Bi(V)C2F3 (XULFUF)C18H15F2Bi
  8186 Bismuth trifluoride (Geo)F3Bi
  8187 Bismuth trifluoride F3Bi
  8188 BiF4(-)F4Bi
  8189 BiF4(-) (Geo)F4Bi
  8190 BiF6(-)F6Bi
  8191 BiF6(-) (Geo)F6Bi
  8192 Bi(III)N2S2(+) (FEMWUP) (Geo)C4H12N2S2Bi
  8193 Bi(III)N2S2(+) (FEMWUP)C4H12N2S2Bi
  8194 Bi(III)N3S3 (FEMWOJ) (Geo)C6H18N3S3Bi
  8195 Bi(III)N3S3 (FEMWOJ)C6H18N3S3Bi
  8196 Bi(III)S4C (BENXUN) (Geo)C10H11O2S4Bi
  8197 Bi(III)S4C (BENXUN)C10H11O2S4Bi


ΔHf: -89.5 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: 5.8 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.
I.P.: 12.0 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.
  
 PM7
Bismuth trifluoride
 I=12 IR=LLNBS82 H=-89.5 HR=PW91D D=5.8 DR=PW91D
 Bi     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.69208705 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.72833568 +1  124.0317286 +1    0.0000000 +0     1     2     0
  F     1.72137937 +1  125.6116931 +1  168.4542586 +1     1     2     3