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	hartrees
Energy at 0K	-47.328523
Energy at 298.15K	-47.330937
HF Energy	-47.272582
Nuclear repulsion energy	16.176747

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3013	2870	97.88
2	A₁	1107	1054	3.73
3	A₁	622	592	25.97
4	E	3092	2945	46.41
4	E	3092	2945	46.36
5	E	1476	1406	1.43
5	E	1476	1406	1.43
6	E	469	447	167.18
6	E	469	447	167.16

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.598
C2	0.000	0.000	0.396
H3	0.000	1.018	0.806
H4	-0.882	-0.509	0.806
H5	0.882	-0.509	0.806

	Li1	C2	H3	H4	H5
Li1		1.9937	2.6110	2.6110	2.6110
C2	1.9937		1.0980	1.0980	1.0980
H3	2.6110	1.0980		1.7638	1.7638
H4	2.6110	1.0980	1.7638		1.7638
H5	2.6110	1.0980	1.7638	1.7638

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	111.957	Li1	C2	H4	111.957
Li1	C2	H5	111.957	H3	C2	H4	106.875
H3	C2	H5	106.875	H4	C2	H5	106.875

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

using model chemistry: B2PLYP/6-31+G**

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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Number	Element	Mulliken
1	Li	0.330
2	C	-0.644
3	H	0.105
4	H	0.105
5	H	0.105

<r²>	18.981
(<r²>)^1/2	4.357

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

using model chemistry: B2PLYP/6-31+G**

States and conformations

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