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	hartrees
Energy at 0K	-47.330366
Energy at 298.15K	-47.332777
HF Energy	-47.272587
Nuclear repulsion energy	16.189372

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3014	2866	97.20
2	A₁	1107	1053	3.37
3	A₁	621	591	26.20
4	E	3093	2941	46.14
4	E	3093	2941	46.09
5	E	1477	1405	1.42
5	E	1477	1404	1.42
6	E	468	445	167.55
6	E	468	445	167.53

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.595
C2	0.000	0.000	0.395
H3	0.000	1.018	0.805
H4	-0.882	-0.509	0.805
H5	0.882	-0.509	0.805

	Li1	C2	H3	H4	H5
Li1		1.9905	2.6078	2.6078	2.6078
C2	1.9905		1.0977	1.0977	1.0977
H3	2.6078	1.0977		1.7634	1.7634
H4	2.6078	1.0977	1.7634		1.7634
H5	2.6078	1.0977	1.7634	1.7634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	111.952	Li1	C2	H4	111.952
Li1	C2	H5	111.952	H3	C2	H4	106.881
H3	C2	H5	106.881	H4	C2	H5	106.881

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

using model chemistry: B2PLYP=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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