National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 17bSeptember 2015
NIST Standard Reference Database 101
IIntroduction
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
IXFeedback
XOlder CCCBDB versions
XIIGeometries
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers
XXIOddities

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II.B.6.

Experimental Barriers to Internal Rotation for S2Cl2 (Disulfur dichloride)

torsion index Angle Energy (kJ mol-1) Energy (cm-1)
1 0 43.93 3672
1 15 41.65 3482
1 30 35.15 2938
1 45 25.50 2132
1 60 14.64 1224
1 75 5.21 436
1 90 0.00 0
1 105 1.07 89
1 120 8.79 734
1 135 21.36 1785
1 150 35.15 2938
1 165 45.79 3828
1 180 49.79 4162
1 195 45.79 3828
1 210 35.15 2938
1 225 21.36 1785
1 240 8.79 734
1 255 1.07 89
1 270 0.00 0
1 285 5.21 436
1 300 14.64 1224
1 315 25.50 2132
1 330 35.15 2938
1 345 41.65 3482
1 360 43.93 3672

Atoms in torsion 1 are 3, 1, 2, 4
The rotor type is SCl

picture of Disulfur dichloride

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