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	hartrees
Energy at 0K	-47.262853
Energy at 298.15K	-47.265206
HF Energy	-47.037041
Nuclear repulsion energy	16.202454

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2986	2986	69.36
2	A₁	1107	1107	0.01
3	A₁	629	629	37.93
4	E	3056	3056	52.56
4	E	3056	3056	52.56
5	E	1468	1468	4.20
5	E	1468	1468	4.20
6	E	431	431	158.55
6	E	431	431	158.55

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.595
C2	0.000	0.000	0.390
H3	0.000	1.013	0.814
H4	-0.877	-0.506	0.814
H5	0.877	-0.506	0.814

	Li1	C2	H3	H4	H5
Li1		1.9852	2.6130	2.6130	2.6130
C2	1.9852		1.0978	1.0978	1.0978
H3	2.6130	1.0978		1.7542	1.7542
H4	2.6130	1.0978	1.7542		1.7542
H5	2.6130	1.0978	1.7542	1.7542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.699	Li1	C2	H4	112.699
Li1	C2	H5	112.699	H3	C2	H4	106.059
H3	C2	H5	106.059	H4	C2	H5	106.059

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

using model chemistry: CCD/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: CCD/daug-cc-pVTZ

States and conformations

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