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	hartrees
Energy at 0K	-47.255095
Energy at 298.15K	-47.257443
HF Energy	-47.034990
Nuclear repulsion energy	16.202347

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2980	2811	74.55
2	A₁	1120	1056	0.25
3	A₁	626	591	35.91
4	E	3045	2872	56.79
4	E	3045	2872	56.79
5	E	1471	1387	4.08
5	E	1471	1387	4.08
6	E	425	401	160.37
6	E	425	401	160.36

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.594
C2	0.000	0.000	0.389
H3	0.000	1.012	0.815
H4	-0.877	-0.506	0.815
H5	0.877	-0.506	0.815

	Li1	C2	H3	H4	H5
Li1		1.9833	2.6134	2.6134	2.6134
C2	1.9833		1.0984	1.0984	1.0984
H3	2.6134	1.0984		1.7535	1.7535
H4	2.6134	1.0984	1.7535		1.7535
H5	2.6134	1.0984	1.7535	1.7535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.822	Li1	C2	H4	112.822
Li1	C2	H5	112.822	H3	C2	H4	105.923
H3	C2	H5	105.923	H4	C2	H5	105.923

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

using model chemistry: CCSD/6-311+G(3df,2p)

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: CCSD/6-311+G(3df,2p)

States and conformations

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