CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-395.90	0.70	kJ mol^-1	Gurvich
Hfg(0K)	-390.16	0.70	kJ mol^-1	Gurvich
Entropy (298.15K)	256.54		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	11.69		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	50.62		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'	1065		Shim					SO₃ s-stretch
2	A₂"	498		Shim					OPLA
3	E'	1391		Shim					SO₃ d-stretch
4	E'	530		Shim					SO₃ d-bend

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rSO	1.418		1	2			1991Mey/Sut:710
aOSO	120		2	1	3		1991Mey/Sut:710

Atom	x (Å)	y (Å)
S1	0.0000	0.0000
O2	0.0000	1.4175
O3	1.2276	-0.7088
O4	-1.2276	-0.7088

	S1	O2	O3	O4
S1		1.4175	1.4175	1.4175
O2	1.4175		2.4552	2.4552
O3	1.4175	2.4552		2.4552
O4	1.4175	2.4552	2.4552

	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^'	D_3h	True	0.000	0.000	0.000	0.000	NSRDS-NBS10		D_3h	0	1

squib	reference	DOI
1991Mey/Sut:710	Meyer, V.; Sutter, D.; Dreizler, H. "The Centrifugally Induced Pure Rotational Spectrum and the Structure of Sulfur Trioxide. A Microwave Fourier Transform Study of a Nonpolar Molecule." Z. Naturforsch. 46a, 710-714 (1991)	10.1515/zna-1991-0811
2015Tha/Wu:144302	AJ Thakkar, T Wu "How well do static electronic dipole polarizabilities from gas-phase experiments compare with density functional and MP2 computations?" J. Chem. Phys. 143, 144302 (2015)	10.1063/1.4932594
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
Shim	Shimanouchi, T. , Tables of Molecular Vibrational Frequencies, Consolidated Volu	10.6028/NBS.NSRDS.39
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	O3	120.000		O2	S1	O4	120.000
O3	S1	O4	120.000

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Experimental data for SO3-- (Sulfate dianion)

Experimental data for SO₃^-- (Sulfate dianion)