PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
cd(ii)(cn)3(-)r
5348 Cd(II)(CN)3(-) (Geo)
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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(-)
<Cd-C> GR=PW91D
Cd 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.20867600 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.19580931 +1 120.0213215 +1 0.0000000 +0 1 2 0
C 2.19585634 +1 119.8894666 +1 -179.9963760 +1 1 2 3
N 1.15629187 +1 149.9948671 +1 179.9516192 +1 3 2 1
N 1.15622522 +1 150.0530866 +1 -179.9202602 +1 2 3 1
N 1.15626612 +1 149.8550766 +1 -179.9297278 +1 4 2 1