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	hartrees
Energy at 0K	-47.259627
Energy at 298.15K	-47.261990
HF Energy	-47.036419
Nuclear repulsion energy	16.214971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2981	2806	66.66
2	A₁	1120	1054	3.48
3	A₁	633	596	34.27
4	E	3046	2867	59.52
4	E	3046	2867	59.52
5	E	1467	1381	5.94
5	E	1467	1381	5.94
6	E	430	405	169.08
6	E	430	405	169.09

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.593
C2	0.000	0.000	0.388
H3	0.000	1.011	0.816
H4	-0.875	-0.505	0.816
H5	0.875	-0.505	0.816

	Li1	C2	H3	H4	H5
Li1		1.9812	2.6125	2.6125	2.6125
C2	1.9812		1.0977	1.0977	1.0977
H3	2.6125	1.0977		1.7509	1.7509
H4	2.6125	1.0977	1.7509		1.7509
H5	2.6125	1.0977	1.7509	1.7509

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.937	Li1	C2	H4	112.937
Li1	C2	H5	112.937	H3	C2	H4	105.793
H3	C2	H5	105.793	H4	C2	H5	105.793

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

using model chemistry: CCSD/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: CCSD/cc-pVTZ

States and conformations

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