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	hartrees
Energy at 0K	-1678.572141
Energy at 298.15K	-1678.575024
Nuclear repulsion energy	79.344431

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3128	2889	23.73
2	A₁	1316	1215	78.94
3	A₁	656	606	50.35
4	E	3206	2961	6.85
4	E	3206	2961	6.85
5	E	1510	1395	0.54
5	E	1510	1395	0.54
6	E	708	654	94.93
6	E	708	654	94.93

Atom	x (Å)	y (Å)	z (Å)
Cu1	0.000	0.000	0.461
C2	0.000	0.000	-1.352
H3	0.000	1.017	-1.750
H4	0.881	-0.509	-1.750
H5	-0.881	-0.509	-1.750

	Cu1	C2	H3	H4	H5
Cu1		1.8125	2.4332	2.4332	2.4332
C2	1.8125		1.0923	1.0923	1.0923
H3	2.4332	1.0923		1.7620	1.7620
H4	2.4332	1.0923	1.7620		1.7620
H5	2.4332	1.0923	1.7620	1.7620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cu1	C2	H3	111.358	Cu1	C2	H4	111.358
Cu1	C2	H5	111.358	H3	C2	H4	107.520
H3	C2	H5	107.520	H4	C2	H5	107.520

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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