CCCBDB listing of experimental data page 2

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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	717		2016Cor/Fer:551					FS s-str
2	A	615							SS stretch
3	A	301							FSS bend
4	A	183							torsion
5	B	681							FS a-str
6	B	320							FSS bend

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rSS	1.890	0.002	1	2			2016Cor/Fer:551
rFS	1.635	0.002	1	3			2016Cor/Fer:551
aSSF	108.3	0.2	1	2	4		2016Cor/Fer:551
dFSSF	87.7	0.4	3	1	2	4	2016Cor/Fer:551

Atom	x (Å)	y (Å)	z (Å)
S1	-0.3860	0.8626	-0.4030
S2	0.3860	-0.8626	-0.4030
F3	0.3860	1.7704	0.7165
F4	-0.3860	-1.7704	0.7165

	S1	S2	F3	F4
S1		1.8900	1.6350	2.8611
S2	1.8900		2.8611	1.6350
F3	1.6350	2.8611		3.6240
F4	2.8611	1.6350	3.6240

Bond Type	Count
S-S	1
F-S	2

	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	C₂	True				1.450	NSRDS-NBS10	MW	C₂	1	3

squib	reference	DOI
2016Cor/Fer:551	AC Coronel, LE Fernandez, EL Varetti "Trends in the Structural and Vibratioanl Properties of the Disulfanes S2X2 (X=H, Halogen, CH3, CF3)" Z. Anorg. Allg. Chem. 2016, 642, (7), 551-554	10.1002/zaac.201600056
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 FSSF (Difluorodisulfane)