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	hartrees
Energy at 0K	-47.034271
Energy at 298.15K	-47.036788
HF Energy	-46.999005
Nuclear repulsion energy	16.136756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2993	2993	71.00
2	A₁	1167	1167	44.73
3	A₁	652	652	6.24
4	E	3060	3060	41.77
4	E	3060	3060	41.76
5	E	1556	1556	7.75
5	E	1556	1556	7.76
6	E	519	519	284.45
6	E	519	519	284.48

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.601
C2	0.000	0.000	0.399
H3	0.000	1.023	0.803
H4	-0.886	-0.512	0.803
H5	0.886	-0.512	0.803

	Li1	C2	H3	H4	H5
Li1		2.0001	2.6133	2.6133	2.6133
C2	2.0001		1.1004	1.1004	1.1004
H3	2.6133	1.1004		1.7724	1.7724
H4	2.6133	1.1004	1.7724		1.7724
H5	2.6133	1.1004	1.7724	1.7724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	111.571	Li1	C2	H4	111.571
Li1	C2	H5	111.571	H3	C2	H4	107.293
H3	C2	H5	107.293	H4	C2	H5	107.293

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/3-21G*

States and conformations

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