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

yttrium(iii) hexabromide   4629 Yttrium(III) hexabromide

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    #  Species Formula
  4619 Y(III)O4Cl3 (WAPYUH)C8H20O4Cl3Y
  4620 Yttrium(III) hexachloride (Geo)Cl6Y
  4621 Yttrium(III) hexachlorideCl6Y
  4622 Yttrium(I) monobromide (Geo)BrY
  4623 Yttrium(I) bromideBrY
  4624 Y(III)N4Br2 (EROZIU) (Geo)C17H35N4Br2Y
  4625 Y(III)N4Br2 (EROZIU)C17H35N4Br2Y
  4626 Yttrium(III) tribromide (Geo)Br3Y
  4627 Yttrium(III) tribromideBr3Y
  4628 Yttrium(III) hexabromide (Geo)Br6Y
  4629 Yttrium(III) hexabromide Br6Y
  4630 Yttrium, dimer (Geo)Y2
  4631 Yttrium, dimer WARNINGY2
  4632 Yttrium dichloride, dimer (Geo)Cl4Y2
  4633 Yttrium dichloride, dimerCl4Y2
  4634 Zirconium, atomZr
  4635 Zirconium, anionZr
  4636 Zirconium hydrideHZr
  4637 ZrH4H4Zr
  4638 ZrH4 (Geo)H4Zr
  4639 Zr(IV)(Me)6(2-) (JAMWOJ) (Geo)C6H18Zr


ΔHf: -231.4 kcal/mol,     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.
I.P.: -4.2 eV,     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=-3 SYMMETRY PM7
Yttrium(III) hexabromide
 I=-4.234 IR=PW91D H=-231.4 HR=PW91D
  Y     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.89818930 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.89818930 +1   90.0000000 +1    0.0000000 +0     1     2     0
 Br     2.89818930 +1   90.0000000 +1   90.0000000 +1     1     2     3
 Br     2.89818930 +1   90.0000000 +1  180.0000000 +1     1     2     3
 Br     2.89818930 +1   90.0000000 +1  -90.0000000 +1     1     2     3
 Br     2.89818930 +1  180.0000000 +1    0.0000000 +1     1     2     3