Accuracy

la2cl7r   6512 Dilanthanum heptachloride (Geo)

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    #  Species Formula
  6502 Lanthanum complex, CCDC: QAPXAG (Geo)C48H36N6O14La2
  6503 Lanthanum complex, CCDC: TEQBIA (Geo)C18H14O16La2
  6504 Lanthanum complex, CCDC: YIVZIM (Geo)C12H44N4O16La2
  6505 Lanthanum complex, CCDC: ALANIC (Geo)C36H32N6O16La2
  6506 Lanthanum complex, CCDC: CUMCES (Geo)C16H28O18La2
  6507 Lanthanum complex, CCDC: HETALA11 (Geo)C20H38N4O18La2
  6508 Lanthanum complex, CCDC: ZEQVUM (Geo)C42H40N6O20La2
  6509 Lanthanum complex, CCDC: SUZXIU (Geo)C74H70N4O24La2
  6510 bis((mu-2-Fluorido)-(h5-1,3-bis(trimethylsilyl)-cyclopentadienyl)-lanthanum(iii) (Geo)C44H84F2Si8La2
  6511 Dilanthanum heptachloride, anionCl7La2
  6512 Dilanthanum heptachloride (Geo) Cl7La2
  6513 Lanthanum complex, CCDC: ZEWYOP (Geo)C32H20N4O14Cl18La2
  6514 Cerium complex, CCDC: XONYAA (Geo)C45H33N9Ce
  6515 Cerium complex, CCDC: GIFCUT (Geo)C23H27B2N12O2Ce
  6516 Cerium complex, CCDC: GIFCUT10 (Geo)C23H27B2N12O2Ce
  6517 Cerium complex, CCDC: MIPTAG (Geo)C27H27N4O3Ce
  6518 Cerium complex, CCDC: GACJIE (Geo)C39H51N4O3Ce
  6519 Cerium complex, CCDC: APSBCE (Geo)C22H30N14O4Ce
  6520 Cerium complex, CCDC: PEKWEH (Geo)C27H11N2O6Ce
  6521 Cerium complex, CCDC: LIFHUD (Geo)C38H26N12O6Ce
  6522 Cerium complex, CCDC: FILKEQ (Geo)C22H28N8O7Ce


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 PM7
Dilanthanum heptachloride
 <La-Cl> GR=PW91D
 La     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.80466400 +1    0.0000000 +0    0.0000000 +0     1     0     0
 La     2.73737469 +1  179.9509335 +1  180.0000000 +0     2     1     0
 Cl     2.45390396 +1  109.2512723 +1  -99.4120697 +1     1     2     3
 Cl     2.45370653 +1  109.0933597 +1  120.2817818 +1     1     2     4
 Cl     2.45364053 +1  108.9800221 +1  119.7985821 +1     1     2     5
 Cl     2.45634011 +1  109.1206856 +1  -20.5769267 +1     3     2     5
 Cl     2.45625256 +1  108.9670708 +1  119.7499702 +1     3     2     7
 Cl     2.45643748 +1  109.2076200 +1  119.9636118 +1     3     2     8