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	hartrees
Energy at 0K	-47.376819
Energy at 298.15K	-47.379161
HF Energy	-47.376819
Nuclear repulsion energy	16.308312

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2989	2865	74.53
2	A₁	1085	1040	0.50
3	A₁	633	606	32.62
4	E	3056	2929	46.34
4	E	3056	2929	46.35
5	E	1442	1382	3.97
5	E	1442	1382	3.96
6	E	422	405	159.62
6	E	422	405	159.63

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.575
C2	0.000	0.000	0.384
H3	0.000	1.010	0.808
H4	-0.874	-0.505	0.808
H5	0.874	-0.505	0.808

	Li1	C2	H3	H4	H5
Li1		1.9589	2.5882	2.5882	2.5882
C2	1.9589		1.0951	1.0951	1.0951
H3	2.5882	1.0951		1.7486	1.7486
H4	2.5882	1.0951	1.7486		1.7486
H5	2.5882	1.0951	1.7486	1.7486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.799	Li1	C2	H4	112.799
Li1	C2	H5	112.799	H3	C2	H4	105.948
H3	C2	H5	105.948	H4	C2	H5	105.948

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

using model chemistry: B1B95/aug-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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Number	Element	Mulliken
1	Li	0.067
2	C	-0.863
3	H	0.265
4	H	0.265
5	H	0.265

	x	y	z	Total
	0.000	0.000	-5.682	5.682
CHELPG
AIM
ESP

<r²>	18.618
(<r²>)^1/2	4.315

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

using model chemistry: B1B95/aug-cc-pVTZ

States and conformations

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