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	2974		1956Hex/Che:1186-1195				crystal	CH stretch
2	A₁	426							CI₃ s-stretch
3	A₁	150							CI₃ s-bend
4	E	1064							CH bend
5	E	577							CI₃ d-stretch
6	E	108							CI₃ d-bend

Bond Type	Count
H-C	1
C-I	3

Atom 1	Atom 2
C1	H2
C1	I3
C1	I4
C1	I5

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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squib	reference	DOI
1956Hex/Che:1186-1195	RM Hexter, H Cheung "Infrared Absorption Anisotropy of Crystalline Iodoform" J. Chem. Phys. 24, 1186 (1956)	10.1063/1.1742738
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for CHI3 (Iodoform)

Experimental data for CHI₃ (Iodoform)