PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
bicl6(-)
8218 BiCl6(-)
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ΔHf: -120.7 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 PM7
BiCl6(-)
H=-120.7 HR=PW91D
Bi 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Cl 2.45852907 +1 0.0000000 +0 0.0000000 +0 1 0 0
Cl 2.45847466 +1 89.9996110 +1 0.0000000 +0 1 2 0
Cl 2.45865423 +1 89.9957972 +1 89.9336665 +1 1 2 3
Cl 2.45846193 +1 89.9996963 +1 179.9601935 +1 1 2 4
Cl 2.45853568 +1 89.9930118 +1 -90.0445629 +1 1 2 5
Cl 2.45850290 +1 89.9982048 +1 179.9674385 +1 1 6 2