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Release 18October 2016
NIST Standard Reference Database 101
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Experimental Barriers to Internal Rotation for CH3CH2CHO (Propanal)

Data from:
J Randell JA Hardy, AP Cox, "The microwave spectrum and potential function of propanal" J. Chem. Soc. Farad. Trans. 2 1988, 84(8), 1199-1212
torsion index Angle Energy (kJ mol-1) Energy (cm-1)
1 0 0.00 0
1 78.18 14.47 1210
1 135.99 5.77 482
1 180 9.50 794

Atoms in torsion 1 are 1, 2, 3, 4
The rotor type is CHO

picture of Propanal

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