CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	-120.00	kJ mol^-1	webbook
Hfg(0K)		kJ mol^-1	webbook
Heat Capacity (298.15K)	107.39	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	A_g	3062		1965Ann:932
2	A_g	1686		1965Ann:932
3	A_g	1667		1965Ann:932
4	A_g	1147		1965Ann:932
5	A_g	770		1965Ann:932
6	A_g	443		1965Ann:932
7	A_u
8	A_u
9	B_1g	745		1965Ann:932				B2G in ref
10	B_1u	3062		1965Ann:932				B2G in ref
11	B_1u	1668		1965Ann:932				B2G in ref
12	B_1u	1354		1965Ann:932				B2G in ref
13	B_1u	944		1965Ann:932				B2G in ref
14	B_1u	728		1965Ann:932				B2G in ref
15	B_2g	998		1965Ann:932				B3G in ref
16	B_2g	794		1965Ann:932				B3G in ref
17	B_2g	241		1965Ann:932				B3G in ref
18	B_2u	3062		1965Ann:932				B3U in ref
19	B_2u	1592		1965Ann:932				B3U in ref
20	B_2u	1299		1965Ann:932				B3U in ref
21	B_2u	1066		1965Ann:932				B3U in ref
22	B_2u	408		1965Ann:932				B3U in ref
23	B_3g	3044		1965Ann:932				B1G in ref
24	B_3g	1374		1965Ann:932				B1G in ref
25	B_3g	1211		1965Ann:932				B1G in ref
26	B_3g	600		1965Ann:932				B1G in ref
27	B_3g	476		1965Ann:932				B1G in ref
28	B_3u	882		1965Ann:932				B1U in ref
29	B_3u	505		1965Ann:932				B1U in ref
30	B_3u	109		1965Ann:932				B1U in ref

Bond Type	Count
C-C	4
C=C	2
C=O	2
H-C	4

Atom 1	Atom 2
C1	C3
C1	C4
C1	O7
C2	C5
C2	C6
C2	O8
C3	C6
C3	H9
C4	C5
C4	H10
C5	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	¹A_g	D_2h	True							D_2h	0	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
1965Ann:932	T Anno "Molecular Vibrations of Quinones. V. Normal Coordinate Analysis of p-Benzoquinone and Its Isotopic Derivatives" J. Chem. Phys. 42(3) 932, 1965	10.1063/1.1696084
1998Gus/Rui:163	M Gussoni, R Rui, G Zerbi "Electronic and relaxation contribution to linear molecular polarizability. An analysis of the experimental values" J. Mol. Struct. 447 (1998) 163-215	10.1016/S0022-2860(97)00292-5
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
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for C6H4O2 (parabenzoquinone)

Experimental data for C₆H₄O₂ (parabenzoquinone)