CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference	Comment
Hfg(298.15K)	440.00	10.00	kJ mol^-1	webbook
Hfg(0K)		10.00	kJ 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	A₁	3094		webbook
2	A₁	3071		webbook
3	A₁	1860		webbook
4	A₁	1415		webbook
5	A₁	1271		webbook
6	A₁	1055		webbook
7	A₁	1010		webbook
8	A₁	982		webbook
9	A₁	600		webbook
10	A₂
11	A₂
12	A₂
13	A₂
14	B₁	838		webbook
15	B₁	737		webbook
16	B₁	388		webbook
17	B₂	3086		webbook
18	B₂	3049		webbook
19	B₂	1451		webbook
20	B₂	1394		webbook
21	B₂	1307		webbook
22	B₂	1094		webbook
23	B₂	849		webbook
24	B₂	472		webbook

Bond Type	Count
C#C	1
C=C	2
C-C	3
H-C	4

Atom 1	Atom 2
C1	C2
C1	C3
C2	C4
C3	C5
C3	H7
C4	C6
C4	H8
C5	C6
C5	H9
C6	H10

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_2v	True							C_2v	1	2

	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
2002Rie/Tsc:231	JC Rienstra-Kiracofe, GS Tschumper, HF Schaefer III, S Nandi, GB Ellison "Atomic and Molecular Electron Affinities: Photoelectron Experiments and Theoretical Computations" Chemical Reviews 2002, 102, 231-282	10.1021/cr990044u
NISThydrocarbon	NIST Hydrocarbon spectral database (http://www.physics.nist.gov/PhysRefData/MolSpec/Hydro/index.html)	10.18434/T4PC70
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for C6H4 (Benzyne)

Experimental data for C₆H₄ (Benzyne)