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	hartrees
Energy at 0K	-47.220757
Energy at 298.15K	-47.223079
HF Energy	-47.023112
Nuclear repulsion energy	15.986182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2958	2865	84.54
2	A₁	1098	1063	4.89
3	A₁	599	580	31.91
4	E	3030	2935	64.07
4	E	3030	2935	64.08
5	E	1434	1389	5.82
5	E	1434	1389	5.82
6	E	421	408	159.43
6	E	421	408	159.43

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.618
C2	0.000	0.000	0.396
H3	0.000	1.025	0.826
H4	-0.888	-0.513	0.826
H5	0.888	-0.513	0.826

	Li1	C2	H3	H4	H5
Li1		2.0133	2.6504	2.6504	2.6504
C2	2.0133		1.1122	1.1122	1.1122
H3	2.6504	1.1122		1.7760	1.7760
H4	2.6504	1.1122	1.7760		1.7760
H5	2.6504	1.1122	1.7760	1.7760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.786	Li1	C2	H4	112.786
Li1	C2	H5	112.786	H3	C2	H4	105.963
H3	C2	H5	105.963	H4	C2	H5	105.963

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

using model chemistry: QCISD/aug-cc-pVDZ

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-pVDZ

States and conformations

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