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	hartrees
Energy at 0K	-47.233704
Energy at 298.15K	-47.236112
HF Energy	-47.024153
Nuclear repulsion energy	16.212147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3024	2860	47.25
2	A₁	1141	1079	14.61
3	A₁	641	606	19.62
4	E	3097	2928	44.33
4	E	3097	2928	44.33
5	E	1491	1409	8.35
5	E	1491	1409	8.35
6	E	456	431	200.90
6	E	456	431	200.90

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.591
C2	0.000	0.000	0.389
H3	0.000	1.013	0.813
H4	-0.878	-0.507	0.813
H5	0.878	-0.507	0.813

	Li1	C2	H3	H4	H5
Li1		1.9800	2.6089	2.6089	2.6089
C2	1.9800		1.0985	1.0985	1.0985
H3	2.6089	1.0985		1.7551	1.7551
H4	2.6089	1.0985	1.7551		1.7551
H5	2.6089	1.0985	1.7551	1.7551

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.711	Li1	C2	H4	112.711
Li1	C2	H5	112.711	H3	C2	H4	106.046
H3	C2	H5	106.046	H4	C2	H5	106.046

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

using model chemistry: CCSD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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