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	hartrees
Energy at 0K	-1679.421116
Energy at 298.15K	-1679.424004
Nuclear repulsion energy	79.301313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3079	2920	19.37
2	A₁	1262	1197	72.00
3	A₁	643	610	18.89
4	E	3172	3009	20.46
4	E	3172	3009	20.46
5	E	1435	1361	0.07
5	E	1435	1361	0.07
6	E	718	681	48.75
6	E	718	681	48.75

Atom	x (Å)	y (Å)	z (Å)
Cu1	0.000	0.000	0.460
C2	0.000	0.000	-1.354
H3	0.000	1.023	-1.742
H4	0.886	-0.512	-1.742
H5	-0.886	-0.512	-1.742

	Cu1	C2	H3	H4	H5
Cu1		1.8148	2.4281	2.4281	2.4281
C2	1.8148		1.0940	1.0940	1.0940
H3	2.4281	1.0940		1.7722	1.7722
H4	2.4281	1.0940	1.7722		1.7722
H5	2.4281	1.0940	1.7722	1.7722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cu1	C2	H3	110.728	Cu1	C2	H4	110.728
Cu1	C2	H5	110.728	H3	C2	H4	108.186
H3	C2	H5	108.186	H4	C2	H5	108.186

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-311G**

States and conformations

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