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	hartrees
Energy at 0K	-1678.195157
Energy at 298.15K	-1678.197967
Nuclear repulsion energy	76.781996

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3150	2843	61.75
2	A₁	1322	1193	60.88
3	A₁	573	517	45.54
4	E	3214	2901	25.72
4	E	3214	2901	25.72
5	E	1565	1413	2.47
5	E	1565	1413	2.47
6	E	671	606	119.67
6	E	671	606	119.67

Atom	x (Å)	y (Å)	z (Å)
Cu1	0.000	0.000	0.479
C2	0.000	0.000	-1.409
H3	0.000	1.009	-1.816
H4	0.874	-0.505	-1.816
H5	-0.874	-0.505	-1.816

	Cu1	C2	H3	H4	H5
Cu1		1.8882	2.5077	2.5077	2.5077
C2	1.8882		1.0885	1.0885	1.0885
H3	2.5077	1.0885		1.7483	1.7483
H4	2.5077	1.0885	1.7483		1.7483
H5	2.5077	1.0885	1.7483	1.7483

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cu1	C2	H3	111.978	Cu1	C2	H4	111.978
Cu1	C2	H5	111.978	H3	C2	H4	106.852
H3	C2	H5	106.852	H4	C2	H5	106.852

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

using model chemistry: HF/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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Number	Element	Mulliken
1	Cu	0.373
2	C	-0.663
3	H	0.097
4	H	0.097
5	H	0.097

	x	y	z	Total
	0.000	0.000	3.532	3.532
CHELPG
AIM
ESP

<r²>	44.053
(<r²>)^1/2	6.637

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

using model chemistry: HF/6-31G**

States and conformations

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