PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
sn(iv)f6(2-) (jozxif)
5541 Sn(IV)F6(2-) (JOZXIF)
(Previous)
(Back)
(Next)
ΔHf: -436.4 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
Sn(IV)F6(2-) (JOZXIF)
H=-436.4 HR=PW91D
Sn 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
F 2.01481770 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 2.01482505 +1 89.8235734 +1 0.0000000 +0 1 2 0
F 2.01480545 +1 90.0508039 +1 179.7974451 +1 1 3 2
F 2.01477492 +1 90.1851402 +1 89.9277413 +1 1 2 3
F 2.01483586 +1 89.8953921 +1 179.8640087 +1 1 2 5
F 2.01479803 +1 90.0676773 +1 -90.0684742 +1 1 2 6