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	hartrees
Energy at 0K	-47.263881
Energy at 298.15K	-47.266241
HF Energy	-47.036976
Nuclear repulsion energy	16.194812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2973	2862	72.07
2	A₁	1109	1067	0.31
3	A₁	629	605	36.63
4	E	3038	2924	58.76
4	E	3038	2924	58.76
5	E	1466	1411	4.85
5	E	1466	1411	4.85
6	E	430	414	156.77
6	E	430	414	156.78

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	0.815
H4	-0.878	-0.507	0.815
H5	0.878	-0.507	0.815

	Li1	C2	H3	H4	H5
Li1		1.9851	2.6141	2.6141	2.6141
C2	1.9851		1.0986	1.0986	1.0986
H3	2.6141	1.0986		1.7550	1.7550
H4	2.6141	1.0986	1.7550		1.7550
H5	2.6141	1.0986	1.7550	1.7550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.736	Li1	C2	H4	112.736
Li1	C2	H5	112.736	H3	C2	H4	106.018
H3	C2	H5	106.018	H4	C2	H5	106.018

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

using model chemistry: QCISD/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: QCISD/aug-cc-pVTZ

States and conformations

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