Accuracy

zrbrr   4696 Zirconium(I) bromide (Geo)

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    #  Species Formula
  4686 Zirconium tetrachloride (Geo)Cl4Zr
  4687 Zr(IV)N2Cl4 (FAZXEJ) (Geo)C4H6N2Cl4Zr
  4688 Zr(IV)N2Cl4 (FAZXEJ)C4H6N2Cl4Zr
  4689 Zr(IV)Cl4N2 (KECKUY) (Geo)C10H8N2Cl4Zr
  4690 Zr(IV)Cl4N2 (KECKUY)C10H8N2Cl4Zr
  4691 Zr(IV)Cl4N2 (FUFSOO) (Geo)C10H10N2Cl4Zr
  4692 Zr(IV)Cl4N2 (FUFSOO)C10H10N2Cl4Zr
  4693 Zirconium hexachloride, dianion (Geo)Cl6Zr
  4694 Zirconium bromideBrZr
  4695 Zirconium(I) bromideBrZr
  4696 Zirconium(I) bromide (Geo) BrZr
  4697 Zirconium dibromideBr2Zr
  4698 Zirconium(IV) oxide dibromideOBr2Zr
  4699 Zirconium(IV) oxide dibromide (Geo)OBr2Zr
  4700 Zirconium tribromideBr3Zr
  4701 Zirconium tetrabromideBr4Zr
  4702 Zirconium tetrabromide (Geo)Br4Zr
  4703 Zr(IV)Br4N2 (FIMZUW10) (Geo)C4H6N2Br4Zr
  4704 Zr(IV)Br4N2 (FIMZUW10)C4H6N2Br4Zr
  4705 Zirconium hexabromide, dianion (Geo)Br6Zr
  4706 Zr(IV)2F8N2 (FELKAI) (Geo)C4H6N2Cl8Zr2


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.
  
 PM7
Zirconium(I) bromide
 <Zr-Br> GR=PW91D
 Zr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.48902700 +1    0.0000000 +0    0.0000000 +0     1     0     0