CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference	Comment
Hfg(298.15K)	-293.19	10.00	kJ mol^-1	Gurvich	-289.3 +- 6.2 From 1995Iri:5357
Hfg(0K)	-291.00	10.00	kJ mol^-1	Gurvich	-289.3 +- 6.2 From 1995Iri:5357
Entropy (298.15K)	257.60	0.10	J K^-1 mol^-1	1995Iri:5357
Integrated Heat Capacity (0 to 298.15K)	11.22	0.01	kJ mol^-1	1995Iri:5357
Heat Capacity (298.15K)	44.41		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	839		webbook
2	A₁	355		webbook
3	B₂	813		webbook

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rSF	1.587	0.000	1	2			1998Kuc
aFSF	98.048	0.013	2	1	3		1998Kuc

Atom	y (Å)	z (Å)
S1	0.0000	0.5511
F2	1.1985	-0.4899
F3	-1.1985	-0.4899

	S1	F2	F3
S1		1.5875	1.5875
F2	1.5875		2.3970
F3	1.5875	2.3970

	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			1.050	1.050	NISTtriatomic	MW μ₀	C_2v	1	2

squib	reference	DOI
1995Iri:5357	KK Irikura " STRUCTURE AND THERMOCHEMISTRY OF SULFUR FLUORIDES SFN (N=1-5) AND THEIR IONS SFN+ (N=1-5)" JOURNAL OF CHEMICAL PHYSICS 102, 5357-5367, 1995	10.1063/1.469263
1998Kuc	K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998	10.1007/978-3-642-45748-7
Gurvich	Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989
NISTtriatomic	NIST Triatomic Spectral Database (http://www.physics.nist.gov/PhysRefData/MolSpec/Triatomic/index.html)	10.18434/T4DW2S
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for SF2+ (sulfur difluoride cation)

Experimental data for SF₂⁺ (sulfur difluoride cation)