Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)

Property	Value	Uncertainty	units	Reference	Comment
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

Information can also be found for this species in the NIST Chemistry Webbook

Vibrational levels (cm^-1)

Mode Number	Symmetry	Frequency (cm-1)	Frequency Reference	Intensity (km mol-1)	Int. unc.	Intensity Reference	Comment
1	A'	662	VEEL5
2	A'	450	VEEL5
3	A'	196

vibrational zero-point energy: 654.0 cm^-1
Calculated vibrational frequencies for ClS₂ (Sulfur chloride).

Rotational Constants (cm^-1)
See section I.F.4 to change rotational constant units

A	B	C	reference	comment
0.61108	0.09432	0.08159	1994Fuj/Hir:1043

Calculated rotational constants for ClS₂ (Sulfur chloride).

Product of moments of inertia
1018771	amu3Å6		4.66492188011175E-114	gm3 cm6

Geometric Data

Point Group C_s

Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees

Description	Value	unc.	Connectivity				Reference	Comment
			Atom 1	Atom 2	Atom 3	Atom 4
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

Cartesians

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

Atom - Atom Distances
Distances in Å

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

Calculated geometries for ClS₂ (Sulfur chloride).

Experimental Bond Angles (degrees) from cartesians

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	S2	S3	110.300

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond

Bond Type	Count
S-S	1
S-Cl	1

Connectivity

Atom 1	Atom 2
Cl1	S2
S2	S3

Electronic energy levels (cm^-1)

Energy (cm-1)	Degeneracy	reference	description
0	2		2A"
23000	2

Dipole, Quadrupole and Polarizability
Electric dipole moment
Calculated electric dipole moments for ClS₂ (Sulfur chloride).
Electric quadrupole moment
Calculated electric quadrupole moments for ClS₂ (Sulfur chloride).

References
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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)

Got a better number? Please email us at cccbdb@nist.gov