National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 18October 2016
NIST Standard Reference Database 101
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
XOlder CCCBDB versions
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers

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II.A.3. (XII.A.1.)

Listing of experimental geometry data for S2Cl2 (Disulfur dichloride)

Rotational Constants (cm-1)

See section I.F.4 to change rotational constant units
0.18457 0.04649 0.04112
Rotational Constants from 1979Mar/Bro:399
Calculated rotational constants for S2Cl2 (Disulfur dichloride).

Point Group C2

Internal coordinates

(distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rSS 1.931 1 2 JANAF
rSCl 2.057 1 3 JANAF
aSSCl 108.2 1 2 4 JANAF
dClSSCl 84.8 3 1 2 4 JANAF
picture of Disulfur dichloride

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 2

Atom x (Å) y (Å) z (Å)
S1 0.6120 0.7468 0.7434
S2 -0.6120 -0.7468 0.7434
Cl3 0.0000 2.0789 -0.6996
Cl4 0.0000 -2.0789 -0.6996

Atom - Atom Distances (Å)

  S1 S2 Cl3 Cl4

Calculated geometries for S2Cl2 (Disulfur dichloride).
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squib reference DOI
1979Mar/Bro:399 CJ Marsden, RD Brown, PD Godfrey "Microwave spectrum and Molecular Structure of Disulphur Dichloride, S2Cl2" J. Chem. Soc. Chem. Comm. 1979, 399 10.1039/c39790000399
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.  

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