PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
bi2f4
8242 Bi2F4
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ΔHf: -127.5 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
Bi2F4
H=-127.5 HR=PW91D
Bi 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Bi 2.22872265 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 2.14640761 +1 58.7002981 +1 0.0000000 +0 2 1 0
F 1.62908335 +1 179.5651333 +1 143.0851204 +1 2 1 3
F 1.62915634 +1 179.4454416 +1 159.5530133 +1 1 2 3
F 2.14877103 +1 58.6834347 +1 20.3017250 +1 1 2 5