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	hartrees
Energy at 0K	-1678.817882
Energy at 298.15K	-1678.820620
HF Energy	-1678.284765
Nuclear repulsion energy	75.138640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3132	2918	58.97
2	A₁	1159	1080	71.72
3	A₁	491	458	7.11
4	E	3240	3018	11.38
4	E	3240	3018	11.38
5	E	1507	1404	0.30
5	E	1507	1404	0.30
6	E	671	625	81.19
6	E	671	625	81.19

Atom	x (Å)	y (Å)	z (Å)
Cu1	0.000	0.000	0.486
C2	0.000	0.000	-1.437
H3	0.000	1.019	-1.823
H4	0.883	-0.510	-1.823
H5	-0.883	-0.510	-1.823

	Cu1	C2	H3	H4	H5
Cu1		1.9225	2.5234	2.5234	2.5234
C2	1.9225		1.0898	1.0898	1.0898
H3	2.5234	1.0898		1.7653	1.7653
H4	2.5234	1.0898	1.7653		1.7653
H5	2.5234	1.0898	1.7653	1.7653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cu1	C2	H3	110.741	Cu1	C2	H4	110.741
Cu1	C2	H5	110.741	H3	C2	H4	108.173
H3	C2	H5	108.173	H4	C2	H5	108.172

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

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

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