CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-296.81	0.20	kJ mol^-1	CODATA
Hfg(0K)	-294.30	0.20	kJ mol^-1	CODATA
Entropy (298.15K)	248.22	0.05	J K^-1 mol^-1	CODATA
Integrated Heat Capacity (0 to 298.15K)	10.55	0.01	kJ mol^-1	CODATA
Heat Capacity (298.15K)	39.84		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	A₁	1151	1168	1982vibint	25.0		1982vibint		SO₂ s-str
2	A₁	518	526	1982vibint	25.2		1982vibint		bend
3	B₂	1362	1381	1982vibint	189.0		1982vibint		SO₂ a-str

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rSO	1.432		1	2			1966Herzberg
aOSO	119.5		2	1	3		1966Herzberg

Atom	y (Å)	z (Å)
S1	0.0000	0.0000
O2	1.2371	0.7215
O3	-1.2371	0.7215

	S1	O2	O3
S1		1.4321	1.4321
O2	1.4321		2.4742
O3	1.4321	2.4742

	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				1.633	1979Pat/Mar:2740-2747	MW μ₀ μ_e=1.62673	C_2v	1	2

Vibrational Quantum numbers	Dip x	Dip y	Dip z	Dip total	Squib
equil				1.627	1979Pat/Mar:2740-2747
000	0.000	0.000	0.000	1.633	1979Pat/Mar:2740-2747
100	0.000	0.000	0.000	1.633	1979Pat/Mar:2740-2747
010	0.000	0.000	0.000	1.626	1979Pat/Mar:2740-2747
001	0.000	0.000	0.000	1.652	1979Pat/Mar:2740-2747
200	0.000	0.000	0.000	1.633	1979Pat/Mar:2740-2747
110	0.000	0.000	0.000	1.626	1979Pat/Mar:2740-2747
020	0.000	0.000	0.000	1.619	1979Pat/Mar:2740-2747
011	0.000	0.000	0.000	1.645	1979Pat/Mar:2740-2747

squib	reference	DOI
1951LB1.3:509	Landolt-Bornstein Vol 1 part 3 p509 (1951)
1966Herzberg	Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966
1979Pat/Mar:2740-2747	D Patel, D Margolese, TR Dyke "Electric dipole moment of SO2 in ground and excited vibrational states" J. Chem. Phys. 70, 2740 (1979)	10.1063/1.437860
1982vibint	"Vibrational Intensities in Infrared and Raman Spectroscopy" WB Person, G Zerbi, ed. Elsevier, Amsterdam, 1982
1984Gra/Gub	CG Gray, KE Gubbins "Theory of molecular fluids. Volume 1:Fundamentals" Clarendon Press, Oxford 1984
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
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for SO2- (Sulfur dioxide anion)

Experimental data for SO₂^- (Sulfur dioxide anion)