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	hartrees
Energy at 0K	-46.869401
Energy at 298.15K	-46.871916
HF Energy	-46.752055
Nuclear repulsion energy	15.991452

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2950	2822	82.52
2	A₁	1205	1153	34.60
3	A₁	631	604	8.51
4	E	3019	2888	49.92
4	E	3019	2888	49.92
5	E	1552	1484	7.31
5	E	1552	1484	7.31
6	E	523	500	276.76
6	E	523	500	276.75

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.627
C2	0.000	0.000	0.406
H3	0.000	1.027	0.815
H4	-0.890	-0.514	0.815
H5	0.890	-0.514	0.815

	Li1	C2	H3	H4	H5
Li1		2.0325	2.6489	2.6489	2.6489
C2	2.0325		1.1057	1.1057	1.1057
H3	2.6489	1.1057		1.7791	1.7791
H4	2.6489	1.1057	1.7791		1.7791
H5	2.6489	1.1057	1.7791	1.7791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	111.721	Li1	C2	H4	111.721
Li1	C2	H5	111.721	H3	C2	H4	107.131
H3	C2	H5	107.131	H4	C2	H5	107.131

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

using model chemistry: CCD/3-21G*

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/3-21G*

States and conformations

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