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

chromium(vi) difluoride dioxide   3189 Chromium(VI) difluoride dioxide

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    #  Species Formula
  3179 Cr(III)O6 (ACACCR) (Geo)C15H21O6Cr
  3180 Chromium(III) EDTA (Geo)C10H12N2O8Cr
  3181 Cr(III)O6 (KOXACR)C4H4O10Cr
  3182 Cr(III)O6 (KOXACR) (Geo)C4H4O10Cr
  3183 Cr(III)(ox)3 (Geo)C6O12Cr
  3184 Cr(III)O6 (AMOXCR)C6O12Cr
  3185 Cr(III)O6 (AMOXCR) (Geo)C6O12Cr
  3186 Chromium(I) fluorideFCr
  3187 Chromium(I) fluoride (Geo)FCr
  3188 Chromium difluorideF2Cr
  3189 Chromium(VI) difluoride dioxide O2F2Cr
  3190 Chromium dioxide difluoride (Geo)O2F2Cr
  3191 Cr(III)N2F2O2 (BUTDAV)C2H12N2O2F2Cr
  3192 Cr(III)N2F2O2 (BUTDAV) (Geo)C2H12N2O2F2Cr
  3193 CrF4N2 (DIYFEW) (Geo)C2H8N2F4Cr
  3194 CrF5, anionF5Cr
  3195 Cr(III)F5O(2-) (YASHAB) (Geo)H2OF5Cr
  3196 Cr(III)F5OH2OF5Cr
  3197 Chromium(IV) hexafluoride (Geo)F6Cr
  3198 Chromium(III) hexafluorideF6Cr
  3199 NaCrO4(-)O4NaCr


Dipole: 0.0 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.: 9.0 eV,     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
Chromium(VI) difluoride dioxide
 I=8.98 IR=PW91D D=0.02 DR=PW91D
 Cr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.65998130 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.58796319 +1  102.4214723 +1    0.0000000 +0     1     2     0
  O     1.58809564 +1  102.6209641 +1  113.9706170 +1     1     2     3
  F     1.66087841 +1  136.0549286 +1  122.8445709 +1     1     2     4