CNDO Molecular-Orbital Theory of Molecular Spectra. III. Calculations for the Fluorosulfate Radical

Calculations are presented for the four lowest doublet states of the fluorosulfate (SO3F) radical. The symmetries of these states were found to be, in order of increasing energy, 2A2, 2A1, 2E, and 2E. These results are consistent with the energies and intensities of the observed spectral absorption systems, especially the C̃2E ← X̃2A2 transition at 2.403 eV (5160 Å).