Accuracy
kbf4r
2701 KBF4 (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
KBF4
<B-F> <B-F><> <><><> <><><> <K-F><B-F-K> GR=PW91D
B 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
F 1.44921800 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 1.37305700 +1 114.8152925 +1 0.0000000 +0 1 2 0
F 1.38764700 +1 102.6422893 +1 126.3077243 +1 1 2 3
F 1.38808134 +1 102.6181381 +1 107.6220999 +1 1 2 4
K 2.64972600 +1 83.5366990 +1 179.8881881 +1 2 1 3