PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
bi2f6r
8245 Bi2F6 (Geo)
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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
Bi2F6
<Bi-Bi> <Bi-F><> <><><> <Bi-F> GR=PW91D
Bi 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Bi 4.21812500 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 2.58190000 +1 6.4426003 +1 0.0000000 +0 1 2 0
F 4.53626269 +1 22.5095509 +1 -169.0769664 +1 2 1 3
F 2.38527000 +1 91.2699306 +1 -98.3635955 +1 1 2 3
F 1.73741979 +1 106.5887792 +1 93.1687959 +1 1 2 5
F 1.70525922 +1 132.9158238 +1 -110.6700653 +1 2 1 4
F 1.72491022 +1 118.6153788 +1 -179.8297114 +1 2 1 7