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	hartrees
Energy at 0K	-1678.612314
Energy at 298.15K	-1678.615206
Nuclear repulsion energy	79.767077

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3072	2908	17.39
2	A₁	1296	1226	102.39
3	A₁	670	634	53.92
4	E	3155	2986	4.15
4	E	3155	2986	4.15
5	E	1478	1399	0.39
5	E	1478	1399	0.39
6	E	714	675	85.98
6	E	714	675	85.98

Atom	x (Å)	y (Å)	z (Å)
Cu1	0.000	0.000	0.457
C2	0.000	0.000	-1.342
H3	0.000	1.024	-1.737
H4	0.886	-0.512	-1.737
H5	-0.886	-0.512	-1.737

	Cu1	C2	H3	H4	H5
Cu1		1.7993	2.4211	2.4211	2.4211
C2	1.7993		1.0970	1.0970	1.0970
H3	2.4211	1.0970		1.7728	1.7728
H4	2.4211	1.0970	1.7728		1.7728
H5	2.4211	1.0970	1.7728	1.7728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cu1	C2	H3	111.089	Cu1	C2	H4	111.089
Cu1	C2	H5	111.089	H3	C2	H4	107.806
H3	C2	H5	107.806	H4	C2	H5	107.806

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)