PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
bismuth difluoride
8184 Bismuth difluoride
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ΔHf: -47.2 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.
FIELD=(0.01,0.02,0.03) PM7
Bismuth difluoride
H=-47.2 HR=PW91D
Bi 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
F 1.72560646 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 1.72466414 +1 174.4556716 +1 0.0000000 +0 1 2 0