CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	100.42	0.63	kJ mol^-1	JANAF
Hfg(0K)	104.39	0.63	kJ mol^-1	JANAF
Entropy (298.15K)	430.31	0.05	J K^-1 mol^-1	JANAF
Integrated Heat Capacity (0 to 298.15K)	31.32		kJ mol^-1	JANAF
Heat Capacity (298.15K)	156.04		J K^-1 mol^-1	JANAF

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	475		JANAF				reference obscure
2	A₁	218
3	B₁	411
4	B₂	243
5	E₁	471
6	E₁	191
7	E₂	475
8	E₂	152
9	E₂	56
10	E₃	437
11	E₃	248

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rSS	2.059	0.002	1	5			1972Cot/Wil
aSSS	107.9	0.6	1	5	4		1972Cot/Wil
dSSSS	98.9		1	8	2	7	1972Cot/Wil

Atom 1	Atom 2
S1	S5
S1	S8
S2	S7
S2	S8
S3	S6
S3	S7
S4	S5
S4	S6

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	D_4d	True							D_4d	0	1

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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squib	reference	DOI
1972Cot/Wil	FA Cotton, G Wilkinson "Advanced Inorganic Chemistry, Third edition" Interscience Publishers, New York 1972
JANAF	Chase, M.W., Jr.; Davies, C.A.; Downey, J.R., Jr.; Frurip, D.J.; McDonald, R.A.; Syverud, A.N., JANAF Thermochemical Tables (Third Edition), J. Phys. Chem. Ref. Data,Suppl. 1, 1985, 14, 1.
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for S8 (Octasulfur)

Experimental data for S₈ (Octasulfur)