Ab-initio SCF investigation ofγ-aminobutyric acid.

The potential energy surface of the neutral form ofγ-aminobutyric acid was investigated by means of ab-initio 4-31 G SCF calculations. Geometries, energies, and selected wave numbers of all 62 symmetry unique local minima are reported. Intramolecular interactions and all reactions, which involve the intramolecular hydrogen bond, are discussed and compared with those present in the homologuesβ-alanine and glycine.