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	hartrees
Energy at 0K	-47.365689
Energy at 298.15K	-47.368052
HF Energy	-47.286998
Nuclear repulsion energy	16.294010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2992	2871	72.41
2	A₁	1094	1050	1.51
3	A₁	637	611	29.12
4	E	3048	2925	46.44
4	E	3048	2925	46.43
5	E	1458	1399	4.43
5	E	1458	1399	4.43
6	E	431	414	160.62
6	E	431	413	160.61

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.578
C2	0.000	0.000	0.386
H3	0.000	1.011	0.806
H4	-0.876	-0.506	0.806
H5	0.876	-0.506	0.806

	Li1	C2	H3	H4	H5
Li1		1.9641	2.5896	2.5896	2.5896
C2	1.9641		1.0950	1.0950	1.0950
H3	2.5896	1.0950		1.7516	1.7516
H4	2.5896	1.0950	1.7516		1.7516
H5	2.5896	1.0950	1.7516	1.7516

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.544	Li1	C2	H4	112.544
Li1	C2	H5	112.544	H3	C2	H4	106.231
H3	C2	H5	106.231	H4	C2	H5	106.231

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

using model chemistry: B2PLYP=FULL/aug-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=FULL/aug-cc-pVTZ

States and conformations

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