PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
vanadium(iii) triiodide
6148 Vanadium(III) triiodide
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ΔHf: 6.2 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.
PULAY PM7
Vanadium(III) triiodide
H=6.2 HR=PW91D
V 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
I 2.29391612 +1 0.0000000 +0 0.0000000 +0 1 0 0
I 2.29317287 +1 120.2216274 +1 0.0000000 +0 1 2 0
I 2.29285929 +1 119.8110179 +1 179.9990826 +1 1 2 3