Hello everyone, Is it possible to locate transition states using free energy rather than electronic energy? I am looking for a flat transition structure. 1 post - 1 participant Read full topic

I experience problems with the detected molecular symmetry when I copy the optimized geometry from an output to a new input. I would like to ask for a recommendation on how to get the symmetry treated consistently. I believe that it has to do with the numerical symmetry thresholds, but perhaps someone has worked through this problem before and can suggest an elegant solution? Than…