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	hartrees
Energy at 0K	-1678.730892
Energy at 298.15K	-1678.733833
Nuclear repulsion energy	80.968014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3098	2919	3.20
2	A₁	1315	1239	113.17
3	A₁	724	682	37.68
4	E	3186	3001	0.92
4	E	3186	3001	0.92
5	E	1472	1387	0.46
5	E	1472	1387	0.46
6	E	743	700	78.40
6	E	743	700	78.40

Atom	x (Å)	y (Å)	z (Å)
Cu1	0.000	0.000	0.449
C2	0.000	0.000	-1.318
H3	0.000	1.023	-1.710
H4	0.886	-0.511	-1.710
H5	-0.886	-0.511	-1.710

	Cu1	C2	H3	H4	H5
Cu1		1.7673	2.3889	2.3889	2.3889
C2	1.7673		1.0950	1.0950	1.0950
H3	2.3889	1.0950		1.7711	1.7711
H4	2.3889	1.0950	1.7711		1.7711
H5	2.3889	1.0950	1.7711	1.7711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cu1	C2	H3	110.962	Cu1	C2	H4	110.962
Cu1	C2	H5	110.962	H3	C2	H4	107.940
H3	C2	H5	107.940	H4	C2	H5	107.940

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G*

States and conformations

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