PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
cd(ii)(cn)4(=)r
5350 Cd(II)(CN)4(=) (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=-2 PM7
Cd(II)(CN)4(=)
<Cd-C> GR=PW91D
Cd 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.31252500 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.27403501 +1 109.5009780 +1 0.0000000 +0 1 2 0
C 2.27416667 +1 109.3358914 +1 119.8804836 +1 1 2 3
C 2.27400385 +1 109.4618775 +1 119.9340836 +1 1 2 4
N 1.16190264 +1 144.7048599 +1 179.9969981 +1 3 2 1
N 1.16196420 +1 144.8373349 +1 -179.9998319 +1 2 3 1
N 1.16187754 +1 144.5734921 +1 179.9290248 +1 4 2 1
N 1.16189270 +1 144.6797085 +1 179.8358047 +1 5 2 1