CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	15.50	kJ mol^-1	TRC
Hfg(0K)	21.20	kJ mol^-1	TRC
Entropy (298.15K)	252.40	J K^-1 mol^-1	TRC
Integrated Heat Capacity (0 to 298.15K)		kJ mol^-1
Heat Capacity (298.15K)	49.21	J K^-1 mol^-1	TRC

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	2556		VEEL5
2	A	882		VEEL5
3	A	515		VEEL5
4	A	417		VEEL5
5	B	2559		VEEL5
6	B	878		Shim

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rSS	2.056		1	2			1991Beh/Mit:99
rSH	1.342		1	3			1991Beh/Mit:99
aHSS	97.88		1	2	4		1991Beh/Mit:99
dHSSH	90.3		3	1	2	4	1991Beh/Mit:99

Atom	x (Å)	y (Å)	z (Å)
S1	0.0000	1.0282	-0.0552
S2	0.0000	-1.0282	-0.0552
H3	0.9425	1.2122	0.8824
H4	-0.9425	-1.2122	0.8824

	S1	S2	H3	H4
S1		2.0564	1.3421	2.6051
S2	2.0564		2.6051	1.3421
H3	1.3421	2.6051		3.0710
H4	2.6051	1.3421	3.0710

	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			1.170	1.170	1940Smy/Lew:1219		C₂	1	3

squib	reference	DOI
1940Smy/Lew:1219	CP Smyth, GL Lewis, AJ Grossman, FB Jennings III "The Dipole Moments and Structures of Certain Compounds of Sulfur, Selenium and Phosphorus" J. Am. Chem. Soc. 1940, 62, 5, 1219-1223	10.1021/ja01862a067
1991Beh/Mit:99	Behrend, J.; Mittler, P.; Winnewisser, G.; Yamada, K.M.T. "Spectra of Deuterated Disulfane and Spectroscopic Determination of Its Molecular Structure." Journal of Molecular Spectrosopy. 150, 99-119 (1991)	10.1016/0022-2852(91)90196-H
Shim	Shimanouchi, T. , Tables of Molecular Vibrational Frequencies, Consolidated Volu	10.6028/NBS.NSRDS.39
TRC	Frenkel, M; Marsh, K.N.; Wilhoit, R.C.; Kabo, G.J.; Roganov, G.N.,Thermodynamics of Organic Compounds in the Gas State,Thermodynamics Research Center, College Station, TX, 1994
VEEL5	M.E. Jacox, Vibrational and Electronic Energy Levels of Polyatomic Transient Molecules, J. Phys. Chem.Ref. Data, Monograph 3 (1994) (updated data in NIST Chemistry Webbook - http://webbook.nist.gov/chemistry/
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
H-S	2
S-S	1

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Experimental data for H2S2+ (hydrogen disulfide cation)

Experimental data for H₂S₂⁺ (hydrogen disulfide cation)