Accuracy

Cr(II)Cl4 (BAHVIP)   3215 Cr(II)Cl4 (BAHVIP)

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  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 dioxideO2Cl2Cr
  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
  3222 (Cp)2Cr2(NO)4 (Geo)C10H10N4O4Cr2
  3223 Tetrakis(mu-(6-methyl-2(1H)-pyridinato) dichromiumC24H24N4O4Cr2
  3224 Dichromate ion (Geo)O7Cr2
  3225 Chromium diacetate, dimerC8H12O8Cr2


ΔHf: -110.7 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.
  
 UHF QUINTET CHARGE=-2 PM7
Cr(II)Cl4 (BAHVIP)
 H=-110.7 HR=PW91D
 Cr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.30498357 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.30496842 +1   89.9986049 +1    0.0000000 +0     1     2     0
 Cl     2.30497983 +1   89.9985140 +1  179.9995039 +1     1     3     2
 Cl     2.30498290 +1   90.0027513 +1  179.9996693 +1     1     2     3