PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
cu_cat_nh3r
3615 Cu(+) - NH3 (Geo)
(Previous)
(Back)
(Next)
REF: S. Hoyau and G. Ohanessian, (CCSD(T), B3LYP and MP2 calculations) J. Am. Chem. Soc., 119, 2016 (1997).
CHARGE=1 PM7
Cu(+) - NH3
<Cu-N> GR=HO1997
Cu 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
N 1.92000000 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.02162922 +1 112.8903398 +1 0.0000000 +0 2 1 0
H 1.02161694 +1 112.8712478 +1 -119.9864756 +1 2 1 3
H 1.02161294 +1 112.8941620 +1 120.0191408 +1 2 1 3