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

CuI4(2-)r   6194 Copper(II) tetraiodide (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  6184 SiI2CSi (QUJSET)C14H38Si6I4
  6185 AlS3I (FAMLEK) (Geo)C4H12Al4S6I4
  6186 AlS3I (FAMLEK)C4H12Al4S6I4
  6187 Titanium tetraiodideTiI4
  6188 Vanadium(IV) iodideVI4
  6189 Cr(III)2(Cp)2I4(0) (KELTAW) (Geo)C20H30Cr2I4
  6190 Cr(III)2I4Cp2 (KELTAW)C20H30Cr2I4
  6191 Fe(III)I4(-) (Geo)FeI4
  6192 Nickel(II) tetraiodide D4h (Geo)NiI4
  6193 Nickel(II) tetraiodide D4hNiI4
  6194 Copper(II) tetraiodide (Geo) CuI4
  6195 Cu(I)2I4(2-) (BIYMIF) (Geo)Cu2I4
  6196 Cu(I)2I4(2-) (BIYMIF)Cu2I4
  6197 Zn(II)I4(2-) (BZDAZP) (Geo)ZnI4
  6198 Zn(II)I4(2-) (BZDAZP)ZnI4
  6199 Ga(III)2I4S2 (DIGZAU) (Geo)C6H14S2Ga2I4
  6200 Ga(III)2I4S2 (DIGZAU)C6H14S2Ga2I4
  6201 Ga(III)4I4S6 (CIFMOT) (Geo)C4H12S6Ga4I4
  6202 Ga(III)4I4S6 (CIFMOT)C4H12S6Ga4I4
  6203 GeI4 (JEDXEV) (Geo)GeI4
  6204 GeI4 (JEDXEV)GeI4


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.
  
 CHARGE=-2 UHF SYMMETRY PM7
Copper(II) tetraiodide
 <Cu-I> <I-Cu-I> GR=PW91D
 Cu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.71000200 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.72123200 +0  101.0124220 +1    0.0000000 +0     1     2     0
  I     2.72625300 +0  110.2408634 +1  119.6460008 +1     1     2     3
  I     2.73307900 +0  108.9809964 +1  119.6942447 +1     1     2     4