Accuracy

irbr4r   7636 Iridium(V) tetrabromide, cation (Geo)

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    #  Species Formula
  7626 Iridium(III) hexachloride (Geo)Cl6Ir
  7627 Iridium(III) hexachlorideCl6Ir
  7628 Iridium(I) bromide (Geo)BrIr
  7629 Iridium(I) bromideBrIr
  7630 Iridium(III) oxide bromideOBrIr
  7631 Iridium(III) oxide bromide (Geo)OBrIr
  7632 Ir(III)C7Br2 (XUKREA) (Geo)C11H17Br2Ir
  7633 Ir(III)Br2CN2 (TICQEC) (Geo)C22H18N3Br2Ir
  7634 Ir(III)Br3N3 (BONREC) (Geo)C15H11N3Br3Ir
  7635 Ir(III)O6 (LECDAY) (Geo)C15H18O6Br3Ir
  7636 Iridium(V) tetrabromide, cation (Geo) Br4Ir
  7637 Iridium(V) tetrabromide, cationBr4Ir
  7638 Ir(III)Br6 d6 (Geo)Br6Ir
  7639 Iridium(III) hexabromide (Geo)Br6Ir
  7640 Iridium(III) hexabromideBr6Ir
  7641 Iridium(I) iodideIIr
  7642 Iridium(I) iodide (Geo)IIr
  7643 Iridium(III) oxide iodideOIIr
  7644 Iridium(III) oxide iodide (Geo)OIIr
  7645 IrC4O2(Me)I (VAZBED) (Geo)C14H22O2IIr
  7646 Ir(Cp*)I3 (Geo)C10H15I3Ir


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=1 PM7
Iridium(V) tetrabromide, cation
 <Ir-Br> GR=PW91D
 Br     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Ir     2.34666400 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.49366833 +1  110.1149175 +1    0.0000000 +0     2     1     0
 Br     2.49416637 +1  109.3550828 +1  119.8668994 +1     2     1     3
 Br     2.49360278 +1  110.1136483 +1  119.7363650 +1     2     1     4