A Microsoft Excel file containing the data that forms the figures in the main text of the publication. The Microsoft Excel file contains the ultrafast transient absorption and photoluminescence data for TXO-TPA and 4CzIPN, presented in wavelength (nm) and time (ps). Also included is the steady state Raman and impulsive vibrational spectra of TXO-TPA and 4CzIPN at 0.5, 3, and 10 ps (in wavenumbers). The full datasets for the quantum-chemical molecular dynamics simulations of TXO-TPA are also presented. See the main manuscript for more details.