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	hartrees
Energy at 0K	-1678.916093
Energy at 298.15K	-1678.918908
Nuclear repulsion energy	77.405491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3055	2917	48.90
2	A₁	1245	1189	77.37
3	A₁	566	541	23.39
4	E	3138	2998	34.07
4	E	3138	2998	34.07
5	E	1451	1386	0.01
5	E	1451	1386	0.01
6	E	686	655	52.07
6	E	686	655	52.07

Atom	x (Å)	y (Å)	z (Å)
Cu1	0.000	0.000	0.474
C2	0.000	0.000	-1.395
H3	0.000	1.023	-1.789
H4	0.886	-0.511	-1.789
H5	-0.886	-0.511	-1.789

	Cu1	C2	H3	H4	H5
Cu1		1.8685	2.4832	2.4832	2.4832
C2	1.8685		1.0959	1.0959	1.0959
H3	2.4832	1.0959		1.7710	1.7710
H4	2.4832	1.0959	1.7710		1.7710
H5	2.4832	1.0959	1.7710	1.7710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cu1	C2	H3	111.092	Cu1	C2	H4	111.092
Cu1	C2	H5	111.092	H3	C2	H4	107.803
H3	C2	H5	107.803	H4	C2	H5	107.803

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

using model chemistry: CCD/6-311G**

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/6-311G**

States and conformations

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