CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	820.06	kJ mol^-1	webbook
Hfg(0K)		kJ mol^-1	webbook
Entropy (298.15K)	237.27	J K^-1 mol^-1	webbook
Integrated Heat Capacity (0 to 298.15K)	0.01	kJ mol^-1	webbook
Heat Capacity (298.15K)	37.74	J K^-1 mol^-1	webbook

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	Σ_g	1225		webbook
2	Σ_u	2040		webbook
3	Π_u	63		webbook

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCC	1.277		1	2			1998Ord/Say:2313
aCCC	180		2	1	3		1998Ord/Say:2313

Atom	x (Å)	y (Å)	z (Å)
C1	0.0000	0.0000	0.0000
C2	0.0000	0.0000	1.2770
C3	0.0000	0.0000	-1.2770

	C1	C2	C3
C1		1.2770	1.2770
C2	1.2770		2.5540
C3	1.2770	2.5540

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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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	¹Σ_g	D_∞h	True	0.000	0.000	0.000	0.000			D_∞h	0	1
1	2	¹A₁	C_2v	False							C_2v	1	2

squib	reference	DOI
1998Ord/Say:2313	A Van Orden, RJ Saykally "Small Carbon Clusters, Spectroscopy, Structure and Energetics" Chem. Rev. 1998, 98, 2313-2357	10.1021/cr970086n
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for C3+ (carbon trimer cation)

Experimental data for C₃⁺ (carbon trimer cation)