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	hartrees
Energy at 0K	-47.379297
Energy at 298.15K	-47.381700
HF Energy	-47.379297
Nuclear repulsion energy	16.075570

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2926	2926	93.63
2	A₁	1076	1076	100.99
3	A₁	605	605	6.13
4	E	3006	3006	42.67
4	E	3006	3006	42.68
5	E	1442	1442	13.28
5	E	1442	1442	13.29
6	E	474	474	235.15
6	E	474	474	235.27

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.611
C2	0.000	0.000	0.396
H3	0.000	1.020	0.819
H4	-0.884	-0.510	0.819
H5	0.884	-0.510	0.819

	Li1	C2	H3	H4	H5
Li1		2.0062	2.6354	2.6354	2.6354
C2	2.0062		1.1047	1.1047	1.1047
H3	2.6354	1.1047		1.7671	1.7671
H4	2.6354	1.1047	1.7671		1.7671
H5	2.6354	1.1047	1.7671	1.7671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.553	Li1	C2	H4	112.553
Li1	C2	H5	112.553	H3	C2	H4	106.221
H3	C2	H5	106.221	H4	C2	H5	106.221

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

using model chemistry: B97D3/6-31G**

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	0.332
2	C	-0.570
3	H	0.079
4	H	0.079
5	H	0.079

	x	y	z	Total
	0.000	0.000	-4.875	4.875
CHELPG
AIM
ESP

	x	y	z
x	5.252	0.000	0.000
y	0.000	5.254	-0.001
z	0.000	-0.001	8.466

<r²>	19.242
(<r²>)^1/2	4.387

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

using model chemistry: B97D3/6-31G**

States and conformations

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