PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
cd(ii)(cn)4(=)
5349 Cd(II)(CN)4(=)
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ΔHf: 118.9 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)(CN)4(=)
H=118.9 HR=PW91D
Cd 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.27487877 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.27482403 +1 109.5411480 +1 0.0000000 +0 1 2 0
C 2.27493255 +1 109.4052187 +1 119.8731822 +1 1 2 3
C 2.27477620 +1 109.5206625 +1 119.9281917 +1 1 2 4
N 1.16211408 +1 144.8288737 +1 179.9939528 +1 3 2 1
N 1.16212575 +1 144.7711918 +1 -179.9998704 +1 2 3 1
N 1.16206375 +1 144.6899203 +1 179.9221884 +1 4 2 1
N 1.16210144 +1 144.7941421 +1 179.8287653 +1 5 2 1