SUPPLEMENTARY MATERIAL

Fig. S1: VUV-MATI spectrum of the C5H4N-35Cl molecule along with simulated spectra. Fig. S2: Three types of vibrational spectra obtained for the C5H4N-35Cl molecule, employing various IR resonant VUV-MATI/PI schemes. Fig. S3: HOMO and SOMO of 3-CP on the S0 and D0 states optimized at the B3LYP, M062X, BMK, B98, MP2, and CAM-B3LYP levels with the cc-pVDZ basis set, respectively.