CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference	Comment
Hfg(298.15K)	141.80	2.00	kJ mol^-1	Gurvich	see JCP 111(14), 6350, 1999
Hfg(0K)	144.45	2.00	kJ mol^-1	Gurvich	see JCP 111(14), 6350, 1999
Entropy (298.15K)	239.01		J K^-1 mol^-1	Gurvich	see JCP 111(14), 6350, 1999
Integrated Heat Capacity (0 to 298.15K)	10.37		kJ mol^-1	Gurvich	see JCP 111(14), 6350, 1999
Heat Capacity (298.15K)	39.37		J K^-1 mol^-1	Gurvich	see JCP 111(14), 6350, 1999

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	1110	1135	1966Herzberg	1.0	0.2	1985Adl/Lan:255		OOO s-stretch
2	A₁	705	716	1966Herzberg	3.9	0.4	1985Adl/Lan:255		OOO bend
3	B₂	1042	1089	VEEL5	84.1	4.3	1985Adl/Lan:255		OOO a-stretch

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rOO	1.278		1	2			1966Herzberg
aOOO	116.8		2	1	3		1966Herzberg

Atom	y (Å)	z (Å)
O1	0.0000	0.0000
O2	1.0885	0.6697
O3	-1.0885	0.6697

	O1	O2	O3
O1		1.2780	1.2780
O2	1.2780		2.1770
O3	1.2780	2.1770

	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	¹A₁	C_2v	True				0.530	NSRDS-NBS10	MW	C_2v	1	2

squib	reference	DOI
1966Herzberg	Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966
1974Hel/Hel(II/6)	Hellwege, KH and AM Hellwege (eds.). Landolt-Bornstein: Group II: Volume 6 Molecular Constants from Microwave, Molecular Beam, and Electron Spin Resonance Spectroscopy Springer-Verlag. Berlin. 1974.	10.1007/b19951
1985Adl/Lan:255	SM Adler-Golden, SR Langhoff, CW Bauschlicher Jr., GD Carney "Theoretical calculation of ozone vibrational infrared intensities" J. Chem. Phys. 83(1), 255, 1985	10.1063/1.449818
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
Gurvich	Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989
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
VEEL5	M.E. Jacox, Vibrational and Electronic Energy Levels of Polyatomic Transient Molecules, J. Phys. Chem.Ref. Data, Monograph 3 (1994) (updated data in NIST Chemistry Webbook - http://webbook.nist.gov/chemistry/
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
O=O	1
O-O	1

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Experimental data for O3 (Ozone)

Experimental data for O₃ (Ozone)