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	hartrees
Energy at 0K	-47.399770
Energy at 298.15K	-47.402133
HF Energy	-47.399770
Nuclear repulsion energy	16.237531

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2989	2859	76.94
2	A₁	1119	1071	0.03
3	A₁	645	617	36.55
4	E	3058	2925	60.25
4	E	3058	2925	60.38
5	E	1461	1398	2.66
5	E	1461	1398	2.66
6	E	429	410	178.78
6	E	429	410	178.64

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.480
C2	0.000	0.000	0.417
H3	0.000	1.043	0.647
H4	-0.903	-0.522	0.647
H5	0.903	-0.522	0.647

	Li1	C2	H3	H4	H5
Li1		1.8971	2.3695	2.3695	2.3695
C2	1.8971		1.0682	1.0682	1.0682
H3	2.3695	1.0682		1.8066	1.8066
H4	2.3695	1.0682	1.8066		1.8066
H5	2.3695	1.0682	1.8066	1.8066

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	102.460	Li1	C2	H4	102.460
Li1	C2	H5	102.460	H3	C2	H4	115.479
H3	C2	H5	115.479	H4	C2	H5	115.479

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

using model chemistry: wB97X-D/6-311G**

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	0.446
2	C	-0.704
3	H	0.086
4	H	0.086
5	H	0.086

	x	y	z	Total
	0.000	0.000	-5.644	5.644
CHELPG
AIM
ESP

	x	y	z
x	4.276	0.000	0.000
y	0.000	4.277	0.002
z	0.000	0.002	5.411

<r²>	18.599
(<r²>)^1/2	4.313

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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