PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
hg(cn)2r
7897 Hg(CN)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
Hg(CN)2
<Hg-C> GR=PW91D
Hg 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.05941600 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 1.15342225 +1 179.9139618 +1 0.0000000 +0 2 1 0
C 1.93254299 +1 179.9601355 +1 -124.5392411 +1 1 2 3
N 1.15561122 +1 179.8722416 +1 -68.9599684 +1 4 1 2