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	hartrees
Energy at 0K	-202.482151
Energy at 298.15K	-202.484898
Nuclear repulsion energy	38.641643

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3164	2852	116.01
2	A₁	1244	1122	36.39
3	A₁	488	440	7.71
4	E	3264	2942	49.22
4	E	3264	2942	49.22
5	E	1586	1429	0.00
5	E	1586	1429	0.00
6	E	673	607	112.60
6	E	673	607	112.60

Atom	x (Å)	y (Å)	z (Å)
Cu1	0.000	0.000	0.500
C2	0.000	0.000	-1.489
H3	0.000	1.029	-1.858
H4	0.892	-0.515	-1.858
H5	-0.892	-0.515	-1.858

	Cu1	C2	H3	H4	H5
Cu1		1.9887	2.5731	2.5731	2.5731
C2	1.9887		1.0937	1.0937	1.0937
H3	2.5731	1.0937		1.7831	1.7831
H4	2.5731	1.0937	1.7831		1.7831
H5	2.5731	1.0937	1.7831	1.7831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cu1	C2	H3	109.742	Cu1	C2	H4	109.742
Cu1	C2	H5	109.742	H3	C2	H4	109.199
H3	C2	H5	109.199	H4	C2	H5	109.199

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

using model chemistry: HF/CEP-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	0.284
2	C	-0.618
3	H	0.111
4	H	0.111
5	H	0.111

	x	y	z	Total
	0.000	0.000	3.501	3.501
CHELPG
AIM
ESP

<r²>	39.646
(<r²>)^1/2	6.296

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

using model chemistry: HF/CEP-31G

States and conformations

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