raw_expt_data.itx Raw data for the experimental result (delay dependence of time-of-flight spectra) as an Igor text file. CTMC_PIA_a.itx, CTMC_PIA_b.itx Lists of initial conditions (time, internuclear distance, polar angle, azimuth angle and conjugated angular velocities) of all the classical trajectories and results (index, initial polar angle, final polar and azimuth angles) of the dissociation trajectories as Igor text files. GAMESS.zip Input and output files for the quantum chemical calculations by GAMESS.