Table 1: Calculated wavelengths of electronic transitions to the three lowest allowed [1] ( 𝜋 , 𝜋 ) states of benzoic acid dimer.

Electronic stateExperiment [16, 18]CIS/6-311++G(d,p)CIS(D)/6-311++G(d,p)

S1 (Bu)280 nm (35724 cm−1)214 nm248 nm
S2 (Bu)230 nm211 nm204 nm
S3 (Au)190 nm178 nm182 nm