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	684		webbook					CCl₃ s-stretch
2	A₁	390							CI str
3	A₁	224							CCl₃ s-deform
4	E	755							CCl₃ d-stretch
5	E	284							CCl₃ d-deform
6	E	188							CI bend

Bond Type	Count
C-Cl	3
C-I	1

Atom 1	Atom 2
C1	I2
C1	Cl3
C1	Cl4
C1	Cl5

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 CCl3I (trichloroiodomethane)

Experimental data for CCl₃I (trichloroiodomethane)