Comparison of the results of ab initio analysis and inverse vibrational problem solution for glyoxal

The vibration frequencies and their assignments for glyoxal conformers obta ined by solving the direct vibrational problem with a scaled ab initio forc e field in an MP2/6-31G*//MP2-6-31G* approximation are compared with the re sults of inverse vibrational problem solution using the so-called Badger mo del of force field as an initial approximation. The latter approach is inap plicable to polyatomic molecules.