COSMO calculations were carried out for the second excited state of AZO-3 (the chargetransfer transition). The effect of three solvents was examined; C 6 H 12 , CHCl 3 , and DMSO. These solvents represent both polar and nonpolar ones. The NSCD signals from gas-phase and COSMO calculations are plotted in Figure . The results are plotted as bars in the order of increasing polarity, i.e., gas phase < C 6 H 12 < CHCl 3 < DMSO. Numerical data are collected in Table and NTOs can be found in Figure .