The S-1 state geometry of phenol determined by simultaneous Franck-Condon and rotational constants fits

We describe a program for Franck-Condon simulations of dispersed fluorescence spectra obtained from excitation of single vibronic fundamental, overtone and combination levels. The S-1 state geometry of phenol has been determined by a simultaneous fit of the geometry to the vibronic intensities and effective rotational constants in the harmonic limit based on ab initio force constants.