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	hartrees
Energy at 0K	-47.178445
Energy at 298.15K	-47.180905
HF Energy	-47.015389
Nuclear repulsion energy	16.100842

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3015	2854	75.42
2	A₁	1173	1110	24.73
3	A₁	621	588	17.77
4	E	3097	2931	45.62
4	E	3097	2931	45.62
5	E	1520	1438	5.85
5	E	1520	1438	5.85
6	E	497	471	222.85
6	E	497	471	222.85

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.611
C2	0.000	0.000	0.398
H3	0.000	1.020	0.814
H4	-0.883	-0.510	0.814
H5	0.883	-0.510	0.814

	Li1	C2	H3	H4	H5
Li1		2.0089	2.6304	2.6304	2.6304
C2	2.0089		1.1012	1.1012	1.1012
H3	2.6304	1.1012		1.7661	1.7661
H4	2.6304	1.1012	1.7661		1.7661
H5	2.6304	1.1012	1.7661	1.7661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.187	Li1	C2	H4	112.187
Li1	C2	H5	112.187	H3	C2	H4	106.624
H3	C2	H5	106.624	H4	C2	H5	106.624

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

using model chemistry: CCD/6-31G*

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/6-31G*

States and conformations

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