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	hartrees
Energy at 0K	-47.337776
Energy at 298.15K	-47.340189
HF Energy	-47.271996
Nuclear repulsion energy	16.279238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3015	3015	48.97
2	A₁	1117	1117	28.67
3	A₁	644	644	13.34
4	E	3086	3086	37.83
4	E	3086	3086	37.84
5	E	1474	1474	9.99
5	E	1474	1474	9.99
6	E	460	460	207.04
6	E	460	460	207.06

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.577
C2	0.000	0.000	0.385
H3	0.000	1.013	0.807
H4	-0.877	-0.507	0.807
H5	0.877	-0.507	0.807

	Li1	C2	H3	H4	H5
Li1		1.9626	2.5901	2.5901	2.5901
C2	1.9626		1.0971	1.0971	1.0971
H3	2.5901	1.0971		1.7546	1.7546
H4	2.5901	1.0971	1.7546		1.7546
H5	2.5901	1.0971	1.7546	1.7546

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.575	Li1	C2	H4	112.575
Li1	C2	H5	112.575	H3	C2	H4	106.197
H3	C2	H5	106.197	H4	C2	H5	106.197

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

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

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: B2PLYP=FULL/6-31G(2df,p)

States and conformations

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