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	hartrees
Energy at 0K	-1678.911997
Energy at 298.15K	-1678.914961
Nuclear repulsion energy	82.834707

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3096	2910	0.77
2	A₁	1274	1197	87.73
3	A₁	763	718	40.15
4	E	3185	2994	0.30
4	E	3185	2994	0.30
5	E	1477	1388	1.38
5	E	1477	1388	1.38
6	E	745	700	84.50
6	E	745	700	84.50

Atom	x (Å)	y (Å)	z (Å)
Cu1	0.000	0.000	0.438
C2	0.000	0.000	-1.279
H3	0.000	1.016	-1.679
H4	0.879	-0.508	-1.679
H5	-0.879	-0.508	-1.679

	Cu1	C2	H3	H4	H5
Cu1		1.7177	2.3488	2.3488	2.3488
C2	1.7177		1.0916	1.0916	1.0916
H3	2.3488	1.0916		1.7590	1.7590
H4	2.3488	1.0916	1.7590		1.7590
H5	2.3488	1.0916	1.7590	1.7590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cu1	C2	H3	111.506	Cu1	C2	H4	111.506
Cu1	C2	H5	111.506	H3	C2	H4	107.362
H3	C2	H5	107.362	H4	C2	H5	107.362

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G(2df,p)

States and conformations

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