CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	377.40	kJ mol^-1	webbook
Hfg(0K)		kJ mol^-1	webbook
Entropy (298.15K)		J K^-1 mol^-1
Integrated Heat Capacity (0 to 298.15K)		kJ mol^-1

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'	2914		1974sve/kov
2	A₁'	2265		1974sve/kov
3	A₁'	1381		1974sve/kov
4	A₁'	1228		1974sve/kov
5	A₁'	554		1974sve/kov
7	A₂''	2914		1974sve/kov
8	A₂''	2163		1974sve/kov
9	A₂''	1379		1974sve/kov
10	A₂''	941		1974sve/kov
11	E'	2947		1974sve/kov
12	E'	1472		1974sve/kov
13	E'	1030		1974sve/kov
14	E'	353		1974sve/kov
16	E''	2953		1974sve/kov
17	E''	1428		1974sve/kov
18	E''	1027		1974sve/kov
19	E''	475		1974sve/kov
20	E''	246		1974sve/kov

Bond Type	Count
H-C	6
C-C	3
C#C	2

Atom 1	Atom 2
C1	C2
C1	C3
C2	C4
C3	C5
C4	C6
C5	H7
C5	H8
C5	H9
C6	H10
C6	H11
C6	H12

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^'	D_3h	True				0.000	NSRDS-NBS10		D_3h	0	1
1	2	¹A_1G	D_3d	False							D_3d	0	1
1	3	¹A₁	D₃	False							D₃	0	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
1974sve/kov	L.M. Sverdlov, M. A. Kovner, E. P. Krainov, "Vibrational Spectra of Polyatomic Molecules" Wiley, New York 1974
NSRDS-NBS10	R. D. Nelson Jr., D. R. Lide, A. A. Maryott "Selected Values of electric dipole moments for molecules in the gas phase" NSRDS-NBS10, 1967	10.6028/NBS.NSRDS.10
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for C6H6 (2,4-Hexadiyne)

Experimental data for C₆H₆ (2,4-Hexadiyne)