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

Cr(III)F5O(2-) (YASHAB)   3196 Cr(III)F5O

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    #  Species Formula
  3186 Chromium(I) fluorideFCr
  3187 Chromium(I) fluoride (Geo)FCr
  3188 Chromium difluorideF2Cr
  3189 Chromium(VI) difluoride dioxideO2F2Cr
  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)F5O H2OF5Cr
  3197 Chromium(IV) hexafluoride (Geo)F6Cr
  3198 Chromium(III) hexafluorideF6Cr
  3199 NaCrO4(-)O4NaCr
  3200 Cr(PF3)6F18P6Cr
  3201 Cr(II)S2P4(0) (JIYDOK) (Geo)C12H34P4S2Cr
  3202 Cr(II)S4 (CUWLIP)C4H8S4Cr
  3203 Cr(II)S4(2-) (CUWLIP) (Geo)C4H8S4Cr
  3204 Chromium(I) chlorideClCr
  3205 Chromium(I) chloride (Geo)ClCr
  3206 Cr(CO)4ClMe (CATYOL)C6H3O4ClCr


ΔHf: -421.0 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.
  
 QUARTET OPEN(3,5) CHARGE=-2 PM7
Cr(III)F5O
 H=-421.0 HR=PW91D
 Cr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.78227740 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.81759444 +1   77.0432515 +1    0.0000000 +0     1     2     0
  F     1.83282238 +1  151.3559767 +1  -12.4600715 +1     1     2     3
  F     1.79679020 +1   76.4585929 +1 -148.4964721 +1     1     2     4
  F     1.80635038 +1   74.8098471 +1  141.6740594 +1     1     5     2
  O     4.16645832 +1  118.9551461 +1  148.7292451 +1     1     2     5
  H     0.94616191 +1   45.7419332 +1   14.8825298 +1     7     1     2
  H     0.94997785 +1   54.7368769 +1  174.1695898 +1     7     1     8