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4683 Yttrium(I) bromide

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  #           Species Formula
  4673 Y(III)N4Cl3 (YIQMUG)C20H20N4Cl3Y
  4674 Y(III)Cl3O2N2 (TIMNIM) (Geo)C4H10N2O2Cl3Y
  4675 Y(III)Cl3O2N2 (TIMNIM)C4H10N2O2Cl3Y
  4676 Y(III)O4Cl3 (FUXPET) (Geo)C6H14O4Cl3Y
  4677 Y(III)O4Cl3 (FUXPET)C6H14O4Cl3Y
  4678 Y(III)O4Cl3 (WAPYUH) (Geo)C8H20O4Cl3Y
  4679 Y(III)O4Cl3 (WAPYUH)C8H20O4Cl3Y
  4680 Yttrium(III) hexachloride (Geo)Cl6Y
  4681 Yttrium(III) hexachlorideCl6Y
  4682 Yttrium(I) monobromide (Geo)BrY
  4683 Yttrium(I) bromide BrY
  4684 Y(III)N4Br2 (EROZIU) (Geo)C17H35N4Br2Y
  4685 Y(III)N4Br2 (EROZIU)C17H35N4Br2Y
  4686 Yttrium(III) tribromide (Geo)Br3Y
  4687 Yttrium(III) tribromideBr3Y
  4688 Yttrium(III) hexabromide (Geo)Br6Y
  4689 Yttrium(III) hexabromideBr6Y
  4690 Yttrium, dimer (Geo)Y2
  4691 Yttrium, dimerY2
  4692 Yttrium dichloride, dimer (Geo)Cl4Y2
  4693 Yttrium dichloride, dimerCl4Y2



DHf: 12.2 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.
Dipole: 2.7 Debye,     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.: 4.0 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.

  
 UHF
Yttrium(I) bromide
 DR=PW91D I=4.039 D=2.678 IR=PW91D H=12.2 HR=PW91D
 Br         0.00000000 +0    0.0000000 +0    0.0000000 +0                      0.0000
  Y         2.42117436 +1    0.0000000 +0    0.0000000 +0    1    0    0       0.0000