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	hartrees
Energy at 0K	-7.392147
Energy at 298.15K	-7.394680
HF Energy	-7.392147
Nuclear repulsion energy	8.367077

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3025	2761	126.90
2	A₁	1238	1130	4.67
3	A₁	643	586	32.69
4	E	3103	2832	100.24
4	E	3103	2832	100.24
5	E	1588	1449	0.56
5	E	1588	1449	0.56
6	E	518	472	205.41
6	E	518	472	205.41

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.582
C2	0.000	0.000	0.389
H3	0.000	1.018	0.803
H4	-0.881	-0.509	0.803
H5	0.881	-0.509	0.803

	Li1	C2	H3	H4	H5
Li1		1.9712	2.5928	2.5928	2.5928
C2	1.9712		1.0986	1.0986	1.0986
H3	2.5928	1.0986		1.7628	1.7628
H4	2.5928	1.0986	1.7628		1.7628
H5	2.5928	1.0986	1.7628	1.7628

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.110	Li1	C2	H4	112.110
Li1	C2	H5	112.110	H3	C2	H4	106.709
H3	C2	H5	106.709	H4	C2	H5	106.709

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

using model chemistry: HF/CEP-121G

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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Number	Element	Mulliken
1	Li	0.739
2	C	-1.091
3	H	0.117
4	H	0.117
5	H	0.117

	x	y	z	Total
	0.000	0.000	-5.998	5.998
CHELPG
AIM
ESP

<r²>	13.027
(<r²>)^1/2	3.609

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

using model chemistry: HF/CEP-121G

States and conformations

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