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	hartrees
Energy at 0K	-47.350322
Energy at 298.15K	-47.352754
HF Energy	-47.283845
Nuclear repulsion energy	16.222798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3000	2863	75.16
2	A₁	1127	1076	4.04
3	A₁	625	596	26.21
4	E	3068	2927	54.76
4	E	3068	2927	54.76
5	E	1463	1396	1.06
5	E	1463	1396	1.06
6	E	474	452	170.69
6	E	474	452	170.69

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.594
C2	0.000	0.000	0.391
H3	0.000	1.012	0.812
H4	-0.876	-0.506	0.812
H5	0.876	-0.506	0.812

	Li1	C2	H3	H4	H5
Li1		1.9846	2.6094	2.6094	2.6094
C2	1.9846		1.0958	1.0958	1.0958
H3	2.6094	1.0958		1.7526	1.7526
H4	2.6094	1.0958	1.7526		1.7526
H5	2.6094	1.0958	1.7526	1.7526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.573	Li1	C2	H4	112.573
Li1	C2	H5	112.573	H3	C2	H4	106.199
H3	C2	H5	106.199	H4	C2	H5	106.199

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/TZVP

States and conformations

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