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	hartrees
Energy at 0K	-1678.505222
Energy at 298.15K	-1678.508107
Nuclear repulsion energy	78.874062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3016	2894	28.36
2	A₁	1313	1260	92.31
3	A₁	643	617	48.99
4	E	3097	2972	6.63
4	E	3097	2972	6.63
5	E	1479	1419	0.21
5	E	1479	1419	0.21
6	E	714	686	89.65
6	E	714	686	89.65

Atom	x (Å)	y (Å)	z (Å)
Cu1	0.000	0.000	0.463
C2	0.000	0.000	-1.360
H3	0.000	1.031	-1.752
H4	0.893	-0.516	-1.752
H5	-0.893	-0.516	-1.752

	Cu1	C2	H3	H4	H5
Cu1		1.8231	2.4430	2.4430	2.4430
C2	1.8231		1.1030	1.1030	1.1030
H3	2.4430	1.1030		1.7860	1.7860
H4	2.4430	1.1030	1.7860		1.7860
H5	2.4430	1.1030	1.7860	1.7860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cu1	C2	H3	110.794	Cu1	C2	H4	110.794
Cu1	C2	H5	110.794	H3	C2	H4	108.117
H3	C2	H5	108.117	H4	C2	H5	108.117

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

using model chemistry: CCD/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: CCD/6-31G

States and conformations

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