PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
cu_cat_ch2nhr
3616 Cu(+) - CH2NH (Geo)
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REF: S. Hoyau and G. Ohanessian, (CCSD(T), B3LYP and MP2 calculations) J. Am. Chem. Soc., 119, 2016 (1997).
CHARGE=1 PM7
Cu(+) - CH2NH
<Cu-N> GR=HO1997
Cu 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
N 1.92700000 +1 0.0000000 +0 0.0000000 +0 1 0 0
XX 1.00000000 +0 90.0000000 +0 0.0000000 +0 1 2 0
H 1.01977170 +1 119.1436311 +1 0.0000000 +0 2 1 3
C 1.28679555 +1 121.2082759 +1 -179.9903381 +1 2 1 3
H 1.09952920 +1 121.3501370 +1 -0.0150779 +1 5 2 3
H 1.09922604 +1 124.9349367 +1 179.9854880 +1 5 2 3