CCCBDB listing of experimental data page 2

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Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
1	A₁	2780		webbook					CH₃ s-stretch
2	A₁	1158		webbook					CH₃ umbrella
3	A₁	530		webbook					CLi stretch
4	E	2820		webbook					CH₃ d-stretch
5	E	1387		webbook					CH₃ d-deform
6	E	409		webbook					CLi bend

Bond Type	Count
Li-C	1
H-C	3

Atom 1	Atom 2
Li1	C2
C2	H3
C2	H4
C2	H5

State	Config	State description	Conf description	Exp. min.	Dipole (Debye)				Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	x	y	z	total	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A₁	C_3v	True							C_3v	1	1

State	Config	State description	Conf description	Exp. min.	Quadrupole (D Å)			Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	xx	yy	zz	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A₁	C_3v	True						C_3v	1	1

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Experimental data for CH3Li (methyl lithium)

Experimental data for CH₃Li (methyl lithium)