CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	-543.92	kJ mol^-1	webbook
Hfg(0K)		kJ mol^-1	webbook
Entropy (298.15K)	279.13	J K^-1 mol^-1	webbook
Heat Capacity (298.15K)	57.08	J K^-1 mol^-1	webbook

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	A'	1335		1972Luc/Smi:327
2	A'	808		1972Luc/Smi:327
3	A'	530		1972Luc/Smi:327
4	A'	378		1972Luc/Smi:327
5	A"	747		1972Luc/Smi:327
6	A"	393		1972Luc/Smi:327

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rOS	1.413	0.000	1	2			1972Luc/Smi:327	r0
rFS	1.585	0.000	1	3			1972Luc/Smi:327	r0
aFSF	92.83	0.02	3	1	4		1972Luc/Smi:327	r0
aOSF	106.82	0.03	2	1	3		1972Luc/Smi:327	r0

Atom	x (Å)	y (Å)	z (Å)
S1	0.2465	0.3814	0.0000
O2	-1.0476	0.9488	0.0000
F3	0.2465	-0.7607	1.0990
F4	0.2465	-0.7607	-1.0990

	S1	O2	F3	F4
S1		1.4130	1.5850	1.5850
O2	1.4130		2.4093	2.4093
F3	1.5850	2.4093		2.1980
F4	1.5850	2.4093	2.1980

	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	¹A^'	C_s	True							C_s	2	3

squib	reference	DOI
1972Luc/Smi:327	NJD Lucas, JG Smith "The microwave spectrum and harmonic force field of thionyl fluoride" J. Mol. Spect. 43, 327-341 (1972)	10.1016/0022-2852(72)90044-6
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
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.820		O2	S1	F4	106.820
F3	S1	F4	87.794

Bond Type	Count
O=S	1
F-S	2

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Experimental data for F2SO (Thionyl Fluoride)

Experimental data for F₂SO (Thionyl Fluoride)