PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
lithium hypofluorite
1512 Lithium hypofluorite
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ΔHf: -39.5 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.
PM7
Lithium hypofluorite
H=-39.5 HR=PW91D
Li 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.60784073 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 1.40451385 +1 83.5630460 +1 0.0000000 +0 2 1 0