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	hartrees
Energy at 0K	-47.392094
Energy at 298.15K	-47.394456
HF Energy	-47.392094
Nuclear repulsion energy	16.232836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2966	2857	74.00
2	A₁	1104	1063	0.99
3	A₁	631	608	29.71
4	E	3034	2922	52.85
4	E	3034	2922	52.85
5	E	1446	1393	3.15
5	E	1446	1393	3.15
6	E	434	418	182.26
6	E	434	418	182.27

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.582
C2	0.000	0.000	0.384
H3	0.000	1.013	0.815
H4	-0.877	-0.507	0.815
H5	0.877	-0.507	0.815

	Li1	C2	H3	H4	H5
Li1		1.9657	2.6018	2.6018	2.6018
C2	1.9657		1.1009	1.1009	1.1009
H3	2.6018	1.1009		1.7548	1.7548
H4	2.6018	1.1009	1.7548		1.7548
H5	2.6018	1.1009	1.7548	1.7548

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	113.035	Li1	C2	H4	113.035
Li1	C2	H5	113.035	H3	C2	H4	105.684
H3	C2	H5	105.684	H4	C2	H5	105.684

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

using model chemistry: B3PW91/6-311G**

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	0.445
2	C	-0.733
3	H	0.096
4	H	0.096
5	H	0.096

	x	y	z	Total
	0.000	0.000	-5.526	5.526
CHELPG
AIM
ESP

<r²>	18.619
(<r²>)^1/2	4.315

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

using model chemistry: B3PW91/6-311G**

States and conformations

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