National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
IIntroduction
IIExperimental data
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XIXIndex of properties
XXH-bond dimers
XXIOddities

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II.B.6.

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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