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	hartrees
Energy at 0K	-47.367218
Energy at 298.15K	-47.369670
HF Energy	-47.367218
Nuclear repulsion energy	16.237831

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3013	2864	54.67
2	A₁	1126	1070	10.10
3	A₁	659	626	25.69
4	E	3091	2938	44.09
4	E	3091	2937	44.80
5	E	1476	1403	6.25
5	E	1476	1403	5.92
6	E	481	457	194.68
6	E	480	457	196.86

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.585
C2	0.000	0.000	0.388
H3	0.000	1.014	0.810
H4	-0.878	-0.507	0.810
H5	0.878	-0.507	0.810

	Li1	C2	H3	H4	H5
Li1		1.9723	2.6002	2.6002	2.6002
C2	1.9723		1.0983	1.0983	1.0983
H3	2.6002	1.0983		1.7562	1.7562
H4	2.6002	1.0983	1.7562		1.7562
H5	2.6002	1.0983	1.7562	1.7562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.601	Li1	C2	H4	112.601
Li1	C2	H5	112.601	H3	C2	H4	106.168
H3	C2	H5	106.168	H4	C2	H5	106.168

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

using model chemistry: M06-2X/6-31G**

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	0.363
2	C	-0.605
3	H	0.080
4	H	0.080
5	H	0.080

	x	y	z	Total
	0.000	0.000	-5.241	5.241
CHELPG
AIM
ESP

	x	y	z
x	4.152	0.000	0.000
y	0.000	4.167	-0.019
z	0.000	-0.019	5.377

<r²>	18.634
(<r²>)^1/2	4.317

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

using model chemistry: M06-2X/6-31G**

States and conformations

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