How to fix when encountering some errors in optimizing methane structure?

4 weeks ago 1 5K Report

Hello I am trying to optimize the methane structure to find the Free Energy and apparently there is something wrong. I included my input file as well as a log file and would like to know how to solve it.

Bartosz Trzaskowski

The command line is wrong, it shoudl read:

# rwb97xd/def2svp opt freq=noraman

(Also adding "int=ultrafine" is always a good idea).

Also, make sure that there is at least one empty line at the very end of the file.

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