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	hartrees
Energy at 0K	-1670.652660
Energy at 298.15K	-1670.655590
Nuclear repulsion energy	81.904009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3075	2915	10.13
2	A₁	1396	1324	57.64
3	A₁	723	685	8.05
4	E	3139	2976	2.03
4	E	3139	2976	2.03
5	E	1490	1412	0.01
5	E	1490	1412	0.01
6	E	716	679	65.60
6	E	716	679	65.60

Atom	x (Å)	y (Å)	z (Å)
Cu1	0.000	0.000	0.444
C2	0.000	0.000	-1.296
H3	0.000	1.019	-1.699
H4	0.883	-0.510	-1.699
H5	-0.883	-0.510	-1.699

	Cu1	C2	H3	H4	H5
Cu1		1.7402	2.3729	2.3729	2.3729
C2	1.7402		1.0958	1.0958	1.0958
H3	2.3729	1.0958		1.7652	1.7652
H4	2.3729	1.0958	1.7652		1.7652
H5	2.3729	1.0958	1.7652	1.7652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cu1	C2	H3	111.557	Cu1	C2	H4	111.557
Cu1	C2	H5	111.557	H3	C2	H4	107.307
H3	C2	H5	107.307	H4	C2	H5	107.307

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

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

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