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

lanthanum(iii) trichloride   6471 Lanthanum(III) trichloride

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    #  Species Formula
  6461 La(III)S6O2 (TEPSOW01) (Geo)C13H30N3O2S8La
  6462 Lanthanum(I) chloride (Geo)ClLa
  6463 Lanthanum(I) chlorideClLa
  6464 Lanthanum(III) oxide chlorideOClLa
  6465 Lanthanum(III) oxide chloride (Geo)OClLa
  6466 La(III)O5N2Cl2(+) (TESQOX) (Geo)C16H32N2O5Cl2La
  6467 La(III)O5N2Cl2(+) (TESQOX)C16H32N2O5Cl2La
  6468 La(III)O6Cl2(+) (SEZFAE) (Geo)C6H24N12O6Cl2La
  6469 La(III)O6Cl2(+) (SEZFAE)C6H24N12O6Cl2La
  6470 Lanthanum(III) trichloride (Geo)Cl3La
  6471 Lanthanum(III) trichloride Cl3La
  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) hexachlorideCl6La
  6481 Lanthanum(I) bromide (Geo)BrLa


ΔHf: -163.0 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: 1.3 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.: 7.7 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.
  
 PM7
Lanthanum(III) trichloride
 I=7.704 IR=PW91D D=1.296 DR=PW91D H=-163.0 HR=PW91D
 Cl     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 La     2.43339295 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.43345640 +1  120.0099549 +1    0.0000000 +0     2     1     0
 Cl     2.43340078 +1  119.9800074 +1 -179.5218157 +1     2     1     3