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	hartrees
Energy at 0K	-1680.341255
Energy at 298.15K	-1680.344073
Nuclear repulsion energy	77.637224

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3017	2917	35.70
2	A₁	1193	1154	48.75
3	A₁	576	557	4.29
4	E	3102	2999	26.09
4	E	3102	2999	26.10
5	E	1436	1388	0.84
5	E	1436	1388	0.84
6	E	688	666	40.74
6	E	688	666	40.74

Atom	x (Å)	y (Å)	z (Å)
Cu1	0.000	0.000	0.471
C2	0.000	0.000	-1.396
H3	0.000	1.030	-1.762
H4	0.892	-0.515	-1.762
H5	-0.892	-0.515	-1.762

	Cu1	C2	H3	H4	H5
Cu1		1.8671	2.4595	2.4595	2.4595
C2	1.8671		1.0933	1.0933	1.0933
H3	2.4595	1.0933		1.7841	1.7841
H4	2.4595	1.0933	1.7841		1.7841
H5	2.4595	1.0933	1.7841	1.7841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cu1	C2	H3	109.581	Cu1	C2	H4	109.581
Cu1	C2	H5	109.581	H3	C2	H4	109.361
H3	C2	H5	109.361	H4	C2	H5	109.361

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	Cu	0.304
2	C	-0.674
3	H	0.123
4	H	0.123
5	H	0.123

	x	y	z	Total
	0.000	0.000	1.800	1.800
CHELPG
AIM
ESP

<r²>	43.669
(<r²>)^1/2	6.608

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

using model chemistry: B3LYP/6-311G**

States and conformations

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