Abstract
The barrier to internal rotation around the C-C bond in glyoxal, and the energy difference between the cis and the trans form of the molecule have been estimated using (7, 3 4 ) and (9, 5 4 ) Gaussian basis sets including polarization functions. The predicted energy of the cis form relative the ground state trans form was found to be substantially higher (4.9–6.3 kcal mol −1) than the experimental value of 3.2 kcal mol −1.
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