PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
gef3-sif3r
3915 GeF3-SiF3 (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
GeF3-SiF3
<Ge-Si> <Ge-F><> <><><> <><><> <Si-F> GR=PW91D
Ge 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Si 2.41348700 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 1.76012100 +1 105.5055547 +1 0.0000000 +0 1 2 0
F 1.39491619 +1 114.8504650 +1 114.0455541 +1 1 2 3
F 1.39440996 +1 114.8658475 +1 131.3544343 +1 1 2 4
F 1.60379200 +1 111.7116108 +1 59.8641842 +1 2 1 3
F 1.56035661 +1 112.1359167 +1 119.0458208 +1 2 1 6
F 1.55829925 +1 112.6867705 +1 120.6139479 +1 2 1 7