CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference	Comment
Hfg(298.15K)	29.20	0.73	kJ mol^-1	TRC
Hfg(0K)		0.73	kJ 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	2542		webbook
2	A	860
3	A	480
6	B	2542
7	B	860
8	B	480

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rSS	2.054	0.000	1	2			1997Lie/Yam:265-270	reI
rHS	1.344		1	2			1997Lie/Yam:265-270	assumed
aHSS	97.2	0.7	1	2	4		1997Lie/Yam:265-270
aSSS	107.02	0.02	2	1	3		1997Lie/Yam:265-270
dHSSS	87.7	0.4	2	1	3	5	1997Lie/Yam:265-270

Atom	x (Å)	y (Å)	z (Å)
S1	0.0000	0.0000	0.8363
S2	0.0000	1.6513	-0.3851
S3	0.0000	-1.6513	-0.3851
H4	-1.3318	1.7548	-0.5283
H5	1.3318	-1.7548	-0.5283

	S1	S2	S3	H4	H5
S1		2.0539	2.0539	2.5914	2.5914
S2	2.0539		3.3025	1.3435	3.6600
S3	2.0539	3.3025		3.6600	1.3435
H4	2.5914	1.3435	3.6600		4.4060
H5	2.5914	3.6600	1.3435	4.4060

	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 trans	True							C₂	1	3
1	2	¹A^'	CS cis	False							C_s	2	3

squib	reference	DOI
1997Lie/Yam:265-270	M Liedtke, KMT Yamada, G Winnewisser, J Hahn "Molecular structure of cis- and trans-H2S3" J. Mol. Struct. 413-414 (I 997) 265-270	10.1016/S0022-2860(97)00030-6
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
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	97.200		S1	S3	H5	97.200
S2	S1	S3	107.020

Bond Type	Count
H-S	2
S-S	2

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Experimental data for HSSSH (trisulfane)