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	hartrees
Energy at 0K	-47.272278
Energy at 298.15K	-47.274626
HF Energy	-47.036923
Nuclear repulsion energy	16.171785

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2955	2857
2	A₁	1093	1056
3	A₁	625	604
4	E	3023	2922
4	E	3023	2922
5	E	1452	1403
5	E	1451	1403
6	E	427	413
6	E	427	413

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.597
C2	0.000	0.000	0.390
H3	0.000	1.015	0.816
H4	-0.879	-0.507	0.816
H5	0.879	-0.507	0.816

	Li1	C2	H3	H4	H5
Li1		1.9872	2.6177	2.6177	2.6177
C2	1.9872		1.1004	1.1004	1.1004
H3	2.6177	1.1004		1.7575	1.7575
H4	2.6177	1.1004	1.7575		1.7575
H5	2.6177	1.1004	1.7575	1.7575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.766	Li1	C2	H4	112.766
Li1	C2	H5	112.766	H3	C2	H4	105.984
H3	C2	H5	105.984	H4	C2	H5	105.984

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

using model chemistry: QCISD(T)/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(T)/aug-cc-pVTZ

States and conformations

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