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	hartrees
Energy at 0K	-47.252200
Energy at 298.15K	-47.254563
HF Energy	-47.037076
Nuclear repulsion energy	16.236857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3009	3009	68.94
2	A₁	1122	1122	0.14
3	A₁	636	636	40.74
4	E	3073	3073	58.22
4	E	3073	3073	58.22
5	E	1482	1482	4.02
5	E	1482	1482	4.03
6	E	433	433	155.34
6	E	433	433	155.34

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.591
C2	0.000	0.000	0.389
H3	0.000	1.010	0.813
H4	-0.875	-0.505	0.813
H5	0.875	-0.505	0.813

	Li1	C2	H3	H4	H5
Li1		1.9803	2.6077	2.6077	2.6077
C2	1.9803		1.0957	1.0957	1.0957
H3	2.6077	1.0957		1.7501	1.7501
H4	2.6077	1.0957	1.7501		1.7502
H5	2.6077	1.0957	1.7501	1.7502

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.746	Li1	C2	H4	112.746
Li1	C2	H5	112.746	H3	C2	H4	106.007
H3	C2	H5	106.007	H4	C2	H5	106.007

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

using model chemistry: CISD/daug-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: CISD/daug-cc-pVTZ

States and conformations

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