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chromium(vi) dichloride dioxide   3211 Chromium(VI) dichloride dioxide

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    #  Species Formula
  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
  3208 CrCpCl2O (AFEHIC)C10H15OCl2Cr
  3209 CrCpCl2O (AFEHIC) (Geo)C10H15OCl2Cr
  3210 Chromium dioxide dichlorideO2Cl2Cr
  3211 Chromium(VI) dichloride dioxide O2Cl2Cr
  3212 Chromium(VI) dichloride dioxide (Geo)O2Cl2Cr
  3213 CrN3Cl3 (AMZCCR) (Geo)C4H13N3Cl3Cr
  3214 CrN3Cl3 (AMZCCR)C4H13N3Cl3Cr
  3215 Cr(II)Cl4 (BAHVIP)Cl4Cr
  3216 Cr(II)Cl4 (BAHVIP) (Geo)Cl4Cr
  3217 KCrO4(-)O4KCr
  3218 Chromium, dimerCr2
  3219 Chromium, dimer (Geo)Cr2
  3220 Cr2(Cp)2(NO)3(NH2) (Geo)C10H12N4O3Cr2
  3221 (Cp)2Cr2(NO)4C10H10N4O4Cr2


Dipole: 0.8 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.: 8.4 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.
  
 SYMMETRY PM7
Chromium(VI) dichloride dioxide
 I=8.45 IR=PW91D D=0.76 DR=PW91D
 
 Cr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.04352244 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.58846719 +1  108.5383992 +1    0.0000000 +0     1     2     0
  O     1.58846719 +0  108.5456587 +1  126.2433495 +1     1     2     3
 Cl     2.04352244 +0  106.8037692 +1  116.9628023 +1     1     2     4
 
   2  1    5
   3  1    4