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

zrbrr   4698 Zirconium(I) bromide (Geo)

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    #  Species Formula
  4688 Zirconium tetrachloride (Geo)Cl4Zr
  4689 Zr(IV)N2Cl4 (FAZXEJ) (Geo)C4H6N2Cl4Zr
  4690 Zr(IV)N2Cl4 (FAZXEJ)C4H6N2Cl4Zr
  4691 Zr(IV)Cl4N2 (KECKUY) (Geo)C10H8N2Cl4Zr
  4692 Zr(IV)Cl4N2 (KECKUY)C10H8N2Cl4Zr
  4693 Zr(IV)Cl4N2 (FUFSOO) (Geo)C10H10N2Cl4Zr
  4694 Zr(IV)Cl4N2 (FUFSOO)C10H10N2Cl4Zr
  4695 Zirconium hexachloride, dianion (Geo)Cl6Zr
  4696 Zirconium bromideBrZr
  4697 Zirconium(I) bromideBrZr
  4698 Zirconium(I) bromide (Geo) BrZr
  4699 Zirconium dibromideBr2Zr
  4700 Zirconium(IV) oxide dibromideOBr2Zr
  4701 Zirconium(IV) oxide dibromide (Geo)OBr2Zr
  4702 Zirconium tribromideBr3Zr
  4703 Zirconium tetrabromideBr4Zr
  4704 Zirconium tetrabromide (Geo)Br4Zr
  4705 Zr(IV)Br4N2 (FIMZUW10) (Geo)C4H6N2Br4Zr
  4706 Zr(IV)Br4N2 (FIMZUW10)C4H6N2Br4Zr
  4707 Zirconium hexabromide, dianion (Geo)Br6Zr
  4708 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