Accuracy

zrbr6, dianion r   4705 Zirconium hexabromide, dianion (Geo)

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    #  Species Formula
  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
  4707 Zr(IV)2F8N2 (FELKAI)C4H6N2Cl8Zr2
  4708 Niobium, cationNb
  4709 Niobium, atomNb
  4710 Dicyclopentadienyl Niobium(II)C10H10Nb
  4711 Dicyclopentadienyl Niobium(II) (Geo)C10H10Nb
  4712 Nb(II)(NH3)6H18N6Nb
  4713 Nb(II)(NH3)6 (Geo)H18N6Nb
  4714 Niobium hexanitrile, anion (Geo)C6N6Nb
  4715 Niobium hexanitrile, anionC6N6Nb


REF: Calculated using the HF 6-31G(d) basis set in Gaussian 03: M.J. Frisch, et. al., Gaussian 03, Gaussian Inc, Pittsburg, (2003).
  
 PULAY CHARGE=-2 SYMMETRY PM7
Zirconium hexabromide, dianion
 <Zr-Br> GR=HF631G
 
 Zr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.70180000 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.70180000 +1   90.0000000 +1    0.0000000 +0     1     2     0
 Br     2.70180000 +1   90.0000000 +1   90.0000000 +1     1     2     3
 Br     2.70180000 +1   90.0000000 +1  180.0000000 +1     1     2     3
 Br     2.70180000 +1   90.0000000 +1  -90.0000000 +1     1     2     3
 Br     2.70180000 +1  180.0000000 +1    0.0000000 +1     1     2     3
 
   2  1    3    4    5    6    7