PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
au(cn)2r
7805 Gold(I) di-cyanide, anion (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
Gold(I) di-cyanide, anion
<Au-C> GR=PW91D
Au 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.04296600 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 1.16600848 +1 180.0000171 +1 0.0000000 +0 2 1 0
C 2.12055546 +1 179.9984104 +1 180.0000000 +1 1 2 3
N 1.16442113 +1 179.9974273 +1 180.0000000 +1 4 1 2