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	hartrees
Energy at 0K	-47.222764
Energy at 298.15K	-47.225190
HF Energy	-47.033833
Nuclear repulsion energy	16.204543

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3034	2837	82.25
2	A₁	1167	1092	1.83
3	A₁	628	587	33.72
4	E	3107	2906	64.18
4	E	3107	2906	64.18
5	E	1451	1357	1.35
5	E	1451	1357	1.35
6	E	467	437	170.68
6	E	467	437	170.68

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.600
C2	0.000	0.000	0.391
H3	0.000	1.009	0.818
H4	-0.874	-0.505	0.818
H5	0.874	-0.505	0.818

	Li1	C2	H3	H4	H5
Li1		1.9911	2.6200	2.6200	2.6200
C2	1.9911		1.0955	1.0955	1.0955
H3	2.6200	1.0955		1.7476	1.7476
H4	2.6200	1.0955	1.7476		1.7477
H5	2.6200	1.0955	1.7476	1.7477

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.926	Li1	C2	H4	112.926
Li1	C2	H5	112.926	H3	C2	H4	105.806
H3	C2	H5	105.806	H4	C2	H5	105.806

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

using model chemistry: MP3/TZVP

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: MP3/TZVP

States and conformations

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