PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
sif6(2-) (jijkoc)
1929 SiF6(2-) (JIJKOC)
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ΔHf: -525.7 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.
CHARGE=-2 PM7
SiF6(2-) (JIJKOC)
H=-525.7 HR=PW91D
Si 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
F 1.66592064 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 1.66606165 +1 90.1782231 +1 0.0000000 +0 1 2 0
F 1.66597006 +1 89.9017541 +1 -179.4449986 +1 1 3 2
F 1.66575013 +1 90.3666238 +1 -89.7501896 +1 1 2 3
F 1.66624219 +1 89.5024376 +1 179.8256594 +1 1 2 5
F 1.66583765 +1 90.0016590 +1 90.2497121 +1 1 2 6