Accuracy

labrr   6480 Lanthanum(I) bromide (Geo)

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    #  Species Formula
  6470 Lanthanum(III) trichlorideCl3La
  6471 La(III)O5Cl3 (WIJGOL) (Geo)C9H20O5Cl3La
  6472 La(III)O5Cl3 (WIJGOL)C9H20O5Cl3La
  6473 La(III)O5Cl3 (YICCES) (Geo)C10H20O5Cl3La
  6474 La(III)O5Cl3 (YICCES)C10H20O5Cl3La
  6475 Lanthanum(III) tetrachloride (Geo)Cl4La
  6476 Lanthanum(III) tetrachloride, anionCl4La
  6477 Lanthanum(III) tetrachlorideCl4La
  6478 Lanthanum(III) hexachloride (Geo)Cl6La
  6479 Lanthanum(III) hexachlorideCl6La
  6480 Lanthanum(I) bromide (Geo) BrLa
  6481 Lanthanum(III) tribromide (Geo)Br3La
  6482 Lanthanum(III) tribromideBr3La
  6483 Lanthanum(III) tetrabromide (Geo)Br4La
  6484 Lanthanum(III) tetrabromideBr4La
  6485 Tetrabromo-(diglyme-O,O',O'')-lanthanum(iii) in RIGYUB (Geo)C6H14O3Br4La
  6486 Lanthanum(III) hexabromide (Geo)Br6La
  6487 Lanthanum(III) hexabromideBr6La
  6488 Lanthanum(I) iodide (Geo)ILa
  6489 La(III)(Cp)2O2I (WELPAE) (Geo)C16H22O2ILa
  6490 La(III)(Cp)2O2I (WELPAE)C16H22O2ILa


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
Lanthanum(I) bromide
 <La-Br> GR=PW91D
 La     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.63300000 +1    0.0000000 +0    0.0000000 +0     1     0     0