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	hartrees
Energy at 0K	-1678.636126
Energy at 298.15K
Nuclear repulsion energy	77.053374

Atom	x (Å)	y (Å)	z (Å)
Cu1	0.000	0.000	0.476
C2	0.000	0.000	-1.399
H3	0.000	1.022	-1.807
H4	0.885	-0.511	-1.807
H5	-0.885	-0.511	-1.807

	Cu1	C2	H3	H4	H5
Cu1		1.8755	2.5016	2.5016	2.5016
C2	1.8755		1.1000	1.1000	1.1000
H3	2.5016	1.1000		1.7694	1.7694
H4	2.5016	1.1000	1.7694		1.7694
H5	2.5016	1.1000	1.7694	1.7694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cu1	C2	H3	111.770	Cu1	C2	H4	111.770
Cu1	C2	H5	111.770	H3	C2	H4	107.078
H3	C2	H5	107.078	H4	C2	H5	107.078

All results from a given calculation for CuCH₃ (monomethyl copper)

using model chemistry: QCISD/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CuCH3 (monomethyl copper)

using model chemistry: QCISD/6-31G*

States and conformations

All results from a given calculation for CuCH₃ (monomethyl copper)