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	hartrees
Energy at 0K	-46.716965
Energy at 298.15K	-46.719513
HF Energy	-46.716965
Nuclear repulsion energy	16.163883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3335	2942	9.01
2	A₁	1357	1197	51.22
3	A₁	660	582	3.69
4	E	3486	3075	4.95
4	E	3486	3075	4.95
5	E	1710	1508	14.32
5	E	1710	1508	14.33
6	E	618	545	335.37
6	E	618	545	335.41

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.609
C2	0.000	0.000	0.397
H3	0.000	1.012	0.815
H4	-0.877	-0.506	0.815
H5	0.877	-0.506	0.815

	Li1	C2	H3	H4	H5
Li1		2.0061	2.6270	2.6270	2.6270
C2	2.0061		1.0952	1.0952	1.0952
H3	2.6270	1.0952		1.7533	1.7533
H4	2.6270	1.0952	1.7533		1.7533
H5	2.6270	1.0952	1.7533	1.7533

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.439	Li1	C2	H4	112.439
Li1	C2	H5	112.439	H3	C2	H4	106.347
H3	C2	H5	106.347	H4	C2	H5	106.347

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

using model chemistry: PBE1PBE/STO-3G

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	0.126
2	C	-0.290
3	H	0.055
4	H	0.055
5	H	0.055

	x	y	z	Total
	0.000	0.000	-3.731	3.731
CHELPG
AIM
ESP

<r²>	18.598
(<r²>)^1/2	4.313

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

using model chemistry: PBE1PBE/STO-3G

States and conformations

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