PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
in(iii)f6(3-) (lorcie)
5443 In(III)F6(3-) (LORCIE)
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ΔHf: -271.5 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=-3 PM7
In(III)F6(3-) (LORCIE)
H=-271.5 HR=PW91D
In 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
F 2.05523916 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 2.05522327 +1 90.0094580 +1 0.0000000 +0 1 2 0
F 2.05522549 +1 89.9212953 +1 -179.9028659 +1 1 2 3
F 2.05519905 +1 90.0892401 +1 90.0727855 +1 1 2 4
F 2.05525043 +1 89.9781870 +1 179.9725504 +1 1 2 5
F 2.05521477 +1 179.8826938 +1 40.1484976 +1 1 2 6