National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 19April 2018
NIST Standard Reference Database 101
IIExperimental data
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XIXIndex of properties
XXH-bond dimers

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Experimental Barriers to Internal Rotation for C6H5CHO (benzaldehyde)

Data from:
RK Kakar, EA Rinehart, CR Quade, T Kojima "Microwave Spectrum of Benzaldehyde" J. Chem. Phys. 52(7), 3803, 1970
torsion index Angle Energy (kJ mol-1) Energy (cm-1)
1 0 0.00 0
1 90 20.50 1714
picture of benzaldehyde

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