PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
cd(ii)f4(=)
5369 Cd(II)F4(=)
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ΔHf: -243.7 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
Cd(II)F4(=)
H=-243.7 HR=PW91D
Cd 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
F 2.04326716 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 2.04325188 +1 109.5010889 +1 0.0000000 +0 1 2 0
F 2.04320742 +1 109.4226864 +1 119.9543232 +1 1 2 3
F 2.04323462 +1 109.5011181 +1 119.9561145 +1 1 2 4