How to do DFT calculatation for Raman and IR for organic molecules like PDI C5,PDI C8?

Now, I have been running Gaussian 9.0 for PDI C5 DFT Raman calculation, but it is showing the text below repeatedly. Petite list used in FoFCou. Requested convergence on RMS density...

24 October 2024 6,721 0 View