National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
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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III.F.1. (I.A.4.)

List of which barriers to internal rotation calculations are completed at MP2=FULL /cc-pV(T+d)Z

Species Name Rotor type
H2S2 Disulfane SH
CH3SH Methanethiol SH
FSSF Difluorodisulfane SF
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- CH2F
CH2ClCH2Cl Ethane, 1,2-dichloro- CH2Cl