I have multiple Q-Chem output files for TS search starting and finishing with frequency calculations (two sets of calculated IR data in total). To parse and plot spectra I use cclib and a script discussed recently. But when cclib parses output, it combines both frequency calculations. Is there a way to parse only one (the second) selectively?
I think the easiest way to parse multiple-job files from Q-Chem is if you just manually split the output file into the parts that pertain to the individual jobs. Just locate where the first job ends and the second one starts and save the output in individual files. If you have lots of those jobs to split, then I am sure this could be done with the