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	hartrees
Energy at 0K	-1678.209534
Energy at 298.15K	-1678.212347
Nuclear repulsion energy	77.232262

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3134	2838	51.87
2	A₁	1296	1174	53.14
3	A₁	599	543	41.75
4	E	3199	2897	21.24
4	E	3199	2897	21.24
5	E	1567	1419	2.58
5	E	1567	1419	2.58
6	E	656	594	118.15
6	E	656	594	118.15

Atom	x (Å)	y (Å)	z (Å)
Cu1	0.000	0.000	0.476
C2	0.000	0.000	-1.399
H3	0.000	1.011	-1.802
H4	0.876	-0.506	-1.802
H5	-0.876	-0.506	-1.802

	Cu1	C2	H3	H4	H5
Cu1		1.8751	2.4925	2.4925	2.4925
C2	1.8751		1.0885	1.0885	1.0885
H3	2.4925	1.0885		1.7513	1.7513
H4	2.4925	1.0885	1.7513		1.7513
H5	2.4925	1.0885	1.7513	1.7513

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cu1	C2	H3	111.733	Cu1	C2	H4	111.733
Cu1	C2	H5	111.733	H3	C2	H4	107.117
H3	C2	H5	107.117	H4	C2	H5	107.117

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

using model chemistry: HF/6-31G(2df,p)

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	0.413
2	C	-0.779
3	H	0.122
4	H	0.122
5	H	0.122

	x	y	z	Total
	0.000	0.000	3.419	3.419
CHELPG
AIM
ESP

<r²>	43.606
(<r²>)^1/2	6.603

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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