EQUILIBRIUM GEOMETRIES, INTERNAL-ROTATION POTENTIALS, AND SPECTROSCOPIC CONSTANTS IN NH2OH, NH2OF, NHFOH, AND NHFOF

Optimized geometries, harmonic force fields, vibrational frequencies a nd intensities, and molecular constants have been determined at the MP 2 level with a 6-311G* basis set for the molecules NH2OH, NH2OF, NHFO H, and NHFOF. Vibrational frequencies for several isotopically substit uted species were also determined to assist in the frequency assignmen ts. The internal rotation potentials about the N-O bond have been dete rmined for each of the molecules.