PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
cd(ii)(cn)3(-)
5347 Cd(II)(CN)3(-)
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ΔHf: 67.4 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=-1 PM7
Cd(II)(CN)3(-)
H=67.4 HR=PW91D
Cd 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.19519745 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.19517913 +1 120.1109309 +1 0.0000000 +0 1 2 0
C 2.19526127 +1 119.9388709 +1 -179.9800906 +1 1 2 3
N 1.15643779 +1 150.1553054 +1 179.9788077 +1 3 2 1
N 1.15644353 +1 150.0401727 +1 -179.9552061 +1 2 3 1
N 1.15642493 +1 149.9495033 +1 -179.9580551 +1 4 2 1