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	hartrees
Energy at 0K	-47.369113
Energy at 298.15K
HF Energy	-47.287135
Nuclear repulsion energy	16.276149

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2993	2993	66.11
2	A₁	1100	1100	5.16
3	A₁	634	634	27.41
4	E	3057	3057	44.97
4	E	3057	3057	44.97
5	E	1459	1459	4.95
5	E	1459	1459	4.95
6	E	447	447	170.82
6	E	447	447	170.83

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.583
C2	0.000	0.000	0.388
H3	0.000	1.011	0.808
H4	-0.875	-0.505	0.808
H5	0.875	-0.505	0.808

	Li1	C2	H3	H4	H5
Li1		1.9708	2.5959	2.5959	2.5959
C2	1.9708		1.0947	1.0947	1.0947
H3	2.5959	1.0947		1.7508	1.7508
H4	2.5959	1.0947	1.7508		1.7508
H5	2.5959	1.0947	1.7508	1.7508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.572	Li1	C2	H4	112.572
Li1	C2	H5	112.572	H3	C2	H4	106.200
H3	C2	H5	106.200	H4	C2	H5	106.200

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

using model chemistry: B2PLYP=FULLultrafine/Def2TZVPP

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/Def2TZVPP

States and conformations

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