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	hartrees
Energy at 0K	-47.366314
Energy at 298.15K
HF Energy	-47.287097
Nuclear repulsion energy	16.305012

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	?_a	636	636	28.29
2	?_a	426	426	160.50
3	?_a	421	421	160.52
4	A₁	2999	2999	71.33
4	A₁	1086	1086	1.42
5	E	3056	3056	45.37
5	E	3056	3056	45.34
6	E	1458	1458	4.46
6	E	1457	1457	4.51

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.576
C2	0.000	0.000	0.387
H3	0.000	1.012	0.803
H4	-0.876	-0.506	0.803
H5	0.876	-0.506	0.803

	Li1	C2	H3	H4	H5
Li1		1.9634	2.5854	2.5854	2.5854
C2	1.9634		1.0941	1.0941	1.0941
H3	2.5854	1.0941		1.7530	1.7530
H4	2.5854	1.0941	1.7530		1.7530
H5	2.5854	1.0941	1.7530	1.7530

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.329	Li1	C2	H4	112.329
Li1	C2	H5	112.329	H3	C2	H4	106.468
H3	C2	H5	106.468	H4	C2	H5	106.468

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

using model chemistry: B2PLYP=FULLultrafine/daug-cc-pVTZ

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/daug-cc-pVTZ

States and conformations

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