Vibrational frequencies and structural determination of fluorine nitrate

The vibrational frequencies and corresponding normal mode assignments of fluorine nitrate are examined theoretically using the gaussian98 set of quantum chemistry codes. All normal modes were successfully assigned to one of six types of motion (NO stretch, N-O stretch, F-O stretch, O-F-O bend, F-O-N bend, and F-O-N-O torsion) utilizing the Cs symmetry of the molecule. Uniform scaling factors were derived for each type of motion. Predicted infrared and Raman intensities are reported. Molecular orbitals and bonding are examined.