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	hartrees
Energy at 0K	-47.258276
Energy at 298.15K	-47.260657
HF Energy	-47.037006
Nuclear repulsion energy	16.222719

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2997	2997	65.95
2	A₁	1115	1115	0.72
3	A₁	635	635	37.18
4	E	3067	3067	51.82
4	E	3067	3067	51.83
5	E	1467	1467	4.56
5	E	1467	1467	4.56
6	E	443	443	166.47
6	E	443	443	166.48

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.593
C2	0.000	0.000	0.389
H3	0.000	1.011	0.814
H4	-0.875	-0.505	0.814
H5	0.875	-0.505	0.814

	Li1	C2	H3	H4	H5
Li1		1.9827	2.6111	2.6111	2.6111
C2	1.9827		1.0964	1.0964	1.0964
H3	2.6111	1.0964		1.7506	1.7506
H4	2.6111	1.0964	1.7506		1.7506
H5	2.6111	1.0964	1.7506	1.7506

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.800	Li1	C2	H4	112.800
Li1	C2	H5	112.800	H3	C2	H4	105.947
H3	C2	H5	105.947	H4	C2	H5	105.947

All results from a given calculation for CH₃Li (methyl lithium)

using model chemistry: CCD/Def2TZVPP

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 CH3Li (methyl lithium)

using model chemistry: CCD/Def2TZVPP

States and conformations

All results from a given calculation for CH₃Li (methyl lithium)