CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	71.10	2.50	kJ mol^-1	1991Hud/Joh:4400
Hfg(0K)	69.90	2.50	kJ mol^-1	1991Hud/Joh:4400
Entropy (298.15K)	303.23		J K^-1 mol^-1	1991Hud/Joh:4400
Integrated Heat Capacity (0 to 298.15K)	13.96		kJ mol^-1	1991Hud/Joh:4400
Heat Capacity (298.15K)	63.52		J K^-1 mol^-1	1991Hud/Joh:4400

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
2	A₁	251		webbook
3	E	898		webbook

Atom 1	Atom 2
C1	Cl2
C1	Cl3
C1	Cl4

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	²A₁	C₃	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	²A₁	C₃	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
1991Hud/Joh:4400	JW Hudgens, RD Johnson, RS Timonen, JA Seetula, D Gutman "Kinetics of the reaction of CCl3 + Br2 and Thermochemsitry of CCl3 radical and cation" J. Phys. Chem. 1991, 95, 4400-4405	10.1021/j100164a043
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for CCl3- (Trichloromethyl anion)

Experimental data for CCl₃^- (Trichloromethyl anion)