Accuracy

lanthanum(iii) tetrabromide   6484 Lanthanum(III) tetrabromide

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    #  Species Formula
  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) tetrabromide Br4La
  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
  6491 La(III)O4I3 (RONMEM) (Geo)C16H32O4I3La
  6492 Lanthanum(III) tetraiodide (Geo)I4La
  6493 Lanthanum(III) tetraiodideI4La
  6494 Lanthanum(III) hexaiodide (Geo)I6La


ΔHf: -258.9 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.
  
 CHARGE=-1 SHIFT=80 PM7
Lanthanum(III) tetrabromide
 H=-258.9 HR=PW91D
 La     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.20093593 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.20106551 +1  109.4797519 +1    0.0000000 +0     1     2     0
 Br     2.20072949 +1  109.4597035 +1  120.0088608 +1     1     2     3
 Br     2.20076261 +1  109.4884596 +1  119.9458237 +1     1     2     4