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	hartrees
Energy at 0K	-47.262550
Energy at 298.15K	-47.264912
HF Energy	-47.036997
Nuclear repulsion energy	16.203769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2986	2858	69.31
2	A₁	1109	1062	0.01
3	A₁	630	603	37.95
4	E	3056	2925	52.57
4	E	3056	2925	52.57
5	E	1469	1406	4.23
5	E	1469	1406	4.23
6	E	431	413	158.69
6	E	431	413	158.72

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.595
C2	0.000	0.000	0.390
H3	0.000	1.013	0.814
H4	-0.877	-0.506	0.814
H5	0.877	-0.506	0.814

	Li1	C2	H3	H4	H5
Li1		1.9849	2.6128	2.6128	2.6128
C2	1.9849		1.0977	1.0977	1.0977
H3	2.6128	1.0977		1.7541	1.7541
H4	2.6128	1.0977	1.7541		1.7541
H5	2.6128	1.0977	1.7541	1.7541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.699	Li1	C2	H4	112.699
Li1	C2	H5	112.699	H3	C2	H4	106.059
H3	C2	H5	106.059	H4	C2	H5	106.059

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

using model chemistry: CCD/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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