PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
sb2f4r
5714 Sb2F4 (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
Sb2F4
<Sb-Sb> <Sb-F> GR=PW91D
Sb 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Sb 3.01115900 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 1.97672900 +1 87.2978371 +1 0.0000000 +0 2 1 0
F 1.95212045 +1 86.5726067 +1 95.4879740 +1 2 1 3
F 1.95103597 +1 87.2534938 +1 79.9438852 +1 1 2 3
F 1.95210874 +1 86.5746517 +1 95.5029309 +1 1 2 5