I am optimizing a structure at the HF / 6-31G (df, p) level but since it contains an iodine atom and therefore I must use a second base of functions. I have tried the Gen keyword and an external base I found but the .log stops with the following: General basis read from cards: (6D, 7F) End of file reading basis center. Error termination via Lnk1e in /opt/apps/manually/gaussian/g09/l301.exe at Wed Mar 18 10:40:27 2020.
Below I attach the .com employee
Dear Argenis Soutelo ,
The following video has good content about mixed basis sets for DFT calculations in Gaussian:
https://www.youtube.com/watch?v=mi2DERG_3Eo
Also, the basis set exchange website is:
https://www.basissetexchange.org/
I hope it helps and one more thing that I mentioned in your file was that at the end of your input you have to have more than two blank lines.
Thank you very much professor Mohammad, I gave it two spaces at the end of the .com file and right now the calculation is running, we'll see if it ends correctly. I also downloaded the videos. Greetings and reiterate my thanks.
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