National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 17bSeptember 2015
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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Experimental Barriers to Internal Rotation for CH3OCH3 (Dimethyl ether)

torsion index Angle Energy (kJ mol-1) Energy (cm-1)
1 0 11.38 951

Atoms in torsion 1 are 2, 1, 3, 5
The rotor type is CH3
A2 mode

picture of Dimethyl ether

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