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	hartrees
Energy at 0K	-47.208257
Energy at 298.15K	-47.210607
HF Energy	-47.020742
Nuclear repulsion energy	15.986818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2994	2864	84.75
2	A₁	1108	1060	20.04
3	A₁	609	583	24.83
4	E	3073	2940	54.90
4	E	3073	2940	54.90
5	E	1453	1391	7.24
5	E	1453	1391	7.24
6	E	434	415	184.44
6	E	434	415	184.44

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.617
C2	0.000	0.000	0.395
H3	0.000	1.025	0.827
H4	-0.888	-0.513	0.827
H5	0.888	-0.513	0.827

	Li1	C2	H3	H4	H5
Li1		2.0122	2.6503	2.6503	2.6503
C2	2.0122		1.1125	1.1125	1.1125
H3	2.6503	1.1125		1.7758	1.7758
H4	2.6503	1.1125	1.7758		1.7758
H5	2.6503	1.1125	1.7758	1.7758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.839	Li1	C2	H4	112.839
Li1	C2	H5	112.839	H3	C2	H4	105.904
H3	C2	H5	105.904	H4	C2	H5	105.904

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

using model chemistry: CCD/cc-pVDZ

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: CCD/cc-pVDZ

States and conformations

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