Accuracy

Chromium(III) hexafluoride   3197 Chromium(III) hexafluoride

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    #  Species Formula
  3187 Chromium difluorideF2Cr
  3188 Chromium(VI) difluoride dioxideO2F2Cr
  3189 Chromium dioxide difluoride (Geo)O2F2Cr
  3190 Cr(III)N2F2O2 (BUTDAV)C2H12N2O2F2Cr
  3191 Cr(III)N2F2O2 (BUTDAV) (Geo)C2H12N2O2F2Cr
  3192 CrF4N2 (DIYFEW) (Geo)C2H8N2F4Cr
  3193 CrF5, anionF5Cr
  3194 Cr(III)F5O(2-) (YASHAB) (Geo)H2OF5Cr
  3195 Cr(III)F5OH2OF5Cr
  3196 Chromium(IV) hexafluoride (Geo)F6Cr
  3197 Chromium(III) hexafluoride F6Cr
  3198 NaCrO4(-)O4NaCr
  3199 Cr(PF3)6F18P6Cr
  3200 Cr(II)S2P4(0) (JIYDOK) (Geo)C12H34P4S2Cr
  3201 Cr(II)S4 (CUWLIP)C4H8S4Cr
  3202 Cr(II)S4(2-) (CUWLIP) (Geo)C4H8S4Cr
  3203 Chromium(I) chlorideClCr
  3204 Chromium(I) chloride (Geo)ClCr
  3205 Cr(CO)4ClMe (CATYOL)C6H3O4ClCr
  3206 Cr(CO)4ClMe (CATYOL) (Geo)C6H3O4ClCr
  3207 Chromium dichlorideCl2Cr


ΔHf: -249.8 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.
  
 OPEN(3,5) MECI CHARGE=-3 SYMMETRY PM7
Chromium(III) hexafluoride
 H=-249.8 HR=PW91D
 
 Cr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.87428710 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.87428710 +1   90.0000000 +1    0.0000000 +0     1     2     0
  F     1.87428710 +1   90.0000000 +1  180.0000000 +1     1     2     3
  F     1.87428710 +1  180.0000000 +1    0.0000000 +1     1     2     3
  F     1.87428710 +1   90.0000000 +1   90.0000000 +1     1     2     3
  F     1.87428710 +1   90.0000000 +1  -90.0000000 +1     1     2     3
 
   2  1    3    4    5    6    7