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	hartrees
Energy at 0K	-1678.784699
Energy at 298.15K
Nuclear repulsion energy	75.672712

Atom	x (Å)	y (Å)	z (Å)
Cu1	0.000	0.000	0.485
C2	0.000	0.000	-1.444
H3	0.000	1.031	-1.804
H4	0.893	-0.516	-1.804
H5	-0.893	-0.516	-1.804

	Cu1	C2	H3	H4	H5
Cu1		1.9290	2.5112	2.5112	2.5112
C2	1.9290		1.0926	1.0926	1.0926
H3	2.5112	1.0926		1.7864	1.7864
H4	2.5112	1.0926	1.7864		1.7864
H5	2.5112	1.0926	1.7864	1.7864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cu1	C2	H3	109.272	Cu1	C2	H4	109.272
Cu1	C2	H5	109.272	H3	C2	H4	109.670
H3	C2	H5	109.670	H4	C2	H5	109.670

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

using model chemistry: QCISD/6-31+G**

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/6-31+G**

States and conformations

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