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	hartrees
Energy at 0K	-47.226175
Energy at 298.15K	-47.228594
HF Energy	-47.033801
Nuclear repulsion energy	16.163370

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2999	2865	85.63
2	A₁	1158	1107	8.06
3	A₁	618	590	27.48
4	E	3069	2932	68.17
4	E	3069	2932	68.18
5	E	1451	1386	1.94
5	E	1451	1386	1.94
6	E	467	446	170.94
6	E	467	446	170.94

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.605
C2	0.000	0.000	0.393
H3	0.000	1.012	0.819
H4	-0.876	-0.506	0.819
H5	0.876	-0.506	0.819

	Li1	C2	H3	H4	H5
Li1		1.9974	2.6264	2.6264	2.6264
C2	1.9974		1.0980	1.0980	1.0980
H3	2.6264	1.0980		1.7525	1.7525
H4	2.6264	1.0980	1.7525		1.7525
H5	2.6264	1.0980	1.7525	1.7525

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.847	Li1	C2	H4	112.847
Li1	C2	H5	112.847	H3	C2	H4	105.895
H3	C2	H5	105.895	H4	C2	H5	105.895

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

using model chemistry: QCISD/TZVP

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/TZVP

States and conformations

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