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	hartrees
Energy at 0K	-46.688675
Energy at 298.15K
HF Energy	-46.664300
Nuclear repulsion energy	16.100839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3320	3320	8.41
2	A₁	1367	1367	100.17
3	A₁	653	653	1.25
4	E	3469	3469	3.32
4	E	3469	3469	3.32
5	E	1723	1723	16.07
5	E	1723	1723	16.07
6	E	624	624	324.80
6	E	624	624	324.80

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.618
C2	0.000	0.000	0.400
H3	0.000	1.016	0.817
H4	-0.880	-0.508	0.817
H5	0.880	-0.508	0.817

	Li1	C2	H3	H4	H5
Li1		2.0182	2.6384	2.6384	2.6384
C2	2.0182		1.0981	1.0981	1.0981
H3	2.6384	1.0981		1.7598	1.7598
H4	2.6384	1.0981	1.7598		1.7598
H5	2.6384	1.0981	1.7598	1.7598

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.300	Li1	C2	H4	112.300
Li1	C2	H5	112.300	H3	C2	H4	106.500
H3	C2	H5	106.500	H4	C2	H5	106.500

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

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for CH3Li (methyl lithium)

using model chemistry: B2PLYP=FULLultrafine/STO-3G

States and conformations

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