CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	0.00	0.00	kJ mol^-1	CODATA
Hfg(0K)	0.00	0.00	kJ mol^-1	CODATA
Entropy (298.15K)	205.15	0.00	J K^-1 mol^-1	CODATA
Integrated Heat Capacity (0 to 298.15K)	8.68	0.00	kJ mol^-1	CODATA
Heat Capacity (298.15K)	29.38		J K^-1 mol^-1	Gurvich

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	1556	1580	1979HUB/HER

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rOO	1.208		1	2			1979HUB/HER	re

Atom	x (Å)	y (Å)	z (Å)
O1	0.0000	0.0000	0.0000
O2	0.0000	0.0000	1.2075

	O1	O2
O1		1.2075
O2	1.2075

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Energy (cm^-1)	Degeneracy	reference	description
0	3	1979HUB/HER	³Σ_g
7918.1	2	1979HUB/HER	¹Δ_g
13195.1	1	1979HUB/HER	¹Σ_g⁺
33057.3	1	1979HUB/HER	¹Σ_u^-

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	³Σ_g	D_∞h	True				0.000	NSRDS-NBS10		D_∞h	0	1
2	1	¹Δ_g	D_∞h	False							D_∞h	0	1
3	1	¹Σ_g⁺	D_∞h	False							D_∞h	0	1
4	1	¹Σ_u^-	D_∞h	False							D_∞h	0	1

squib	reference	DOI
1979HUB/HER	Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules, Van Nostrand Reinhold Co., 1979	10.1007/978-1-4757-0961-2
1997Oln/Can:59	TN Olney, NM Cann, G Cooper, CE Brion, Absolute scale determination for photoabsorption spectra and the calculation of molecular properties using dipole sum-rules, Chem. Phys. 223 (1997) 59-98	10.1016/S0301-0104(97)00145-6
2007Iri:389	KK Irikura "Experimental Vibrational Zero-Point Energies: Diatomic Molecules" J. Phys. Chem. Ref. Data 36(2), 389, 2007	10.1063/1.2436891
2014Cou/Nto:41	VW Couling, SS Ntombela "The electric quadrupole moment of O2" Chem. Phys. Lett. 614 (2014) 41-44	10.1016/j.cplett.2014.09.006
CODATA	Cox, J.D.; Wagman, D.D.; Medvedev, V.A.CODATA Key Values for Thermodynamics. Hemisphere, New York, 1989	10.1002/bbpc.19900940121
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
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for O2+ (diatomic oxygen cation)

Experimental data for O₂⁺ (diatomic oxygen cation)