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	hartrees
Energy at 0K	-1680.105669
Energy at 298.15K	-1680.108540
HF Energy	-1680.105669
Nuclear repulsion energy	80.702218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2987	2883	21.47
2	A₁	1225	1182	59.40
3	A₁	709	684	19.57
4	E	3062	2954	7.69
4	E	3061	2954	7.69
5	E	1439	1389	1.51
5	E	1439	1389	1.52
6	E	671	648	73.17
6	E	671	648	73.18

Atom	x (Å)	y (Å)	z (Å)
Cu1	0.000	0.000	0.451
C2	0.000	0.000	-1.324
H3	0.000	1.027	-1.713
H4	0.890	-0.514	-1.713
H5	-0.890	-0.514	-1.713

	Cu1	C2	H3	H4	H5
Cu1		1.7755	2.3956	2.3956	2.3956
C2	1.7755		1.0983	1.0983	1.0983
H3	2.3956	1.0983		1.7792	1.7792
H4	2.3956	1.0983	1.7792		1.7792
H5	2.3956	1.0983	1.7792	1.7792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cu1	C2	H3	110.726	Cu1	C2	H4	110.726
Cu1	C2	H5	110.726	H3	C2	H4	108.187
H3	C2	H5	108.187	H4	C2	H5	108.187

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

using model chemistry: TPSSh/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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All results from a given calculation for CuCH3 (monomethyl copper)

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

States and conformations

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