PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
cd(ii)(oh)2r
5358 Cd(II)(OH)2 (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.
PM7
Cd(II)(OH)2
<Cd-O> GR=PW91D
Cd 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 2.02673500 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.90578996 +1 179.9850542 +1 0.0000000 +0 1 2 0
H 0.87521846 +1 179.9185818 +1 0.1358348 +1 2 1 3
H 0.88576222 +1 179.8465034 +1 -0.1123114 +1 3 1 2