CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	78.60	8.40	kJ mol^-1	JANAF
Hfg(0K)	79.50	8.40	kJ mol^-1	JANAF
Entropy (298.15K)	291.69		J K^-1 mol^-1	JANAF
Integrated Heat Capacity (0 to 298.15K)	12.47		kJ mol^-1	JANAF
Heat Capacity (298.15K)	50.82		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'	662		VEEL5
2	A'	450		VEEL5
3	A'	196

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rSS	1.906		2	3			1994Fuj/Hir:1043
rSCl	2.071		1	2			1994Fuj/Hir:1043
aSSCl	110.3		1	2	3		1994Fuj/Hir:1043

Atom	x (Å)	y (Å)
Cl1	-1.5694	-0.5810
S2	0.0000	0.7703
S3	1.6675	-0.1529

	Cl1	S2	S3
Cl1		2.0710	3.2651
S2	2.0710		1.9060
S3	3.2651	1.9060

	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	²A^"	C_s	True							C_s	2	3

squib	reference	DOI
1994Fuj/Hir:1043	Fujitake, M.; Hirota, E. "The microwave spectrum of the ClS2 free radical." Can. J. Phys. 72, 1043 (1994)	10.1139/p94-136
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.
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
S-S	1
S-Cl	1

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Experimental data for ClS2 (Sulfur chloride)

Experimental data for ClS₂ (Sulfur chloride)