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	hartrees
Energy at 0K	-47.330922
Energy at 298.15K	-47.333238
HF Energy	-47.039386
Nuclear repulsion energy	16.298862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2981	2878
2	A₁	1093	1056
3	A₁	635	613
4	E	3051	2946
4	E	3051	2946
5	E	1452	1402
5	E	1451	1401
6	E	409	395
6	E	408	394

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.577
C2	0.000	0.000	0.384
H3	0.000	1.010	0.809
H4	-0.874	-0.505	0.809
H5	0.874	-0.505	0.809

	Li1	C2	H3	H4	H5
Li1		1.9611	2.5906	2.5906	2.5906
C2	1.9611		1.0954	1.0954	1.0954
H3	2.5906	1.0954		1.7489	1.7489
H4	2.5906	1.0954	1.7489		1.7489
H5	2.5906	1.0954	1.7489	1.7489

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.806	Li1	C2	H4	112.806
Li1	C2	H5	112.806	H3	C2	H4	105.941
H3	C2	H5	105.941	H4	C2	H5	105.940

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

using model chemistry: CCSD(T)=FULL/cc-pVQZ

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: CCSD(T)=FULL/cc-pVQZ

States and conformations

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