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	hartrees
Energy at 0K	-46.865611
Energy at 298.15K	-46.868128
HF Energy	-46.752131
Nuclear repulsion energy	16.011087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2965	2770	86.27
2	A₁	1207	1128	34.81
3	A₁	636	594	9.76
4	E	3028	2829	54.16
4	E	3028	2829	54.16
5	E	1560	1457	7.52
5	E	1560	1457	7.52
6	E	522	488	275.55
6	E	522	488	275.55

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.624
C2	0.000	0.000	0.405
H3	0.000	1.026	0.814
H4	-0.889	-0.513	0.814
H5	0.889	-0.513	0.814

	Li1	C2	H3	H4	H5
Li1		2.0297	2.6451	2.6451	2.6451
C2	2.0297		1.1044	1.1044	1.1044
H3	2.6451	1.1044		1.7775	1.7775
H4	2.6451	1.1044	1.7775		1.7775
H5	2.6451	1.1044	1.7775	1.7775

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	111.688	Li1	C2	H4	111.687
Li1	C2	H5	111.687	H3	C2	H4	107.167
H3	C2	H5	107.167	H4	C2	H5	107.167

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

using model chemistry: CISD/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: CISD/3-21G*

States and conformations

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