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	hartrees
Energy at 0K	-1678.766859
Energy at 298.15K	-1678.769735
Nuclear repulsion energy	80.219344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3045	3045
2	A₁	1232	1232
3	A₁	695	695
4	E	3129	3129
4	E	3128	3128
5	E	1460	1460
5	E	1460	1460
6	E	682	682
6	E	678	678

Atom	x (Å)	y (Å)	z (Å)
Cu1	0.000	0.000	0.454
C2	0.000	0.000	-1.333
H3	0.000	1.023	-1.726
H4	0.886	-0.512	-1.726
H5	-0.886	-0.512	-1.726

	Cu1	C2	H3	H4	H5
Cu1		1.7874	2.4081	2.4081	2.4081
C2	1.7874		1.0960	1.0960	1.0960
H3	2.4081	1.0960		1.7724	1.7724
H4	2.4081	1.0960	1.7724		1.7724
H5	2.4081	1.0960	1.7724	1.7724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cu1	C2	H3	110.983	Cu1	C2	H4	110.983
Cu1	C2	H5	110.983	H3	C2	H4	107.918
H3	C2	H5	107.918	H4	C2	H5	107.918

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

using model chemistry: CCSD(T)/6-31G(2df,p)

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: CCSD(T)/6-31G(2df,p)

States and conformations

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