|Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology|
|You are here: Calculated > Energy > Internal Rotation > Rotational barrier and dipole|
Please enter the chemical formula or click on an entry below.
Species with internal rotation data and dipole data.
The listed barrier is from computations at HF/6-31G*
and represents the maximum barrier.
Barrier is in kJ mol-1.
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|Hill||Species||Name||Approx. rotor type||Barrier|