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

lanthanum(iii) hexachloride   6480 Lanthanum(III) hexachloride

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    #  Species Formula
  6470 Lanthanum(III) trichloride (Geo)Cl3La
  6471 Lanthanum(III) trichlorideCl3La
  6472 La(III)O5Cl3 (WIJGOL) (Geo)C9H20O5Cl3La
  6473 La(III)O5Cl3 (WIJGOL)C9H20O5Cl3La
  6474 La(III)O5Cl3 (YICCES) (Geo)C10H20O5Cl3La
  6475 La(III)O5Cl3 (YICCES)C10H20O5Cl3La
  6476 Lanthanum(III) tetrachloride (Geo)Cl4La
  6477 Lanthanum(III) tetrachloride, anionCl4La
  6478 Lanthanum(III) tetrachlorideCl4La
  6479 Lanthanum(III) hexachloride (Geo)Cl6La
  6480 Lanthanum(III) hexachloride Cl6La
  6481 Lanthanum(I) bromide (Geo)BrLa
  6482 Lanthanum(III) tribromide (Geo)Br3La
  6483 Lanthanum(III) tribromideBr3La
  6484 Lanthanum(III) tetrabromide (Geo)Br4La
  6485 Lanthanum(III) tetrabromideBr4La
  6486 Tetrabromo-(diglyme-O,O',O'')-lanthanum(iii) in RIGYUB (Geo)C6H14O3Br4La
  6487 Lanthanum(III) hexabromide (Geo)Br6La
  6488 Lanthanum(III) hexabromideBr6La
  6489 Lanthanum(I) iodide (Geo)ILa
  6490 La(III)(Cp)2O2I (WELPAE) (Geo)C16H22O2ILa


ΔHf: -266.3 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.
  
 SYMMETRY CHARGE=-3 PM7
Lanthanum(III) hexachloride
 I=-4.209 IR=PW91D H=-266.3 HR=PW91D
 Cl     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 La     2.69622006 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.69622006 +1   90.0001410 +1    0.0000000 +0     2     1     0
 Cl     2.69622006 +1   89.9999060 +1  179.9999530 +1     2     3     1
 Cl     2.69622006 +1   90.0000450 +1 -179.9999760 +1     2     1     3
 Cl     2.69622006 +1   90.0000680 +1  -90.0000240 +1     2     1     5
 Cl     2.69622006 +1   90.0001180 +1  180.0000000 +1     2     1     6