Frequently Asked Questions & Tips & How can I get a breakdown of the SCF or DFT energy into all its component parts? How can I restart a job that was interrupted? I optimized a structure, then calculated the frequencies for it. The frequency calculation showed the structure was not converged even though the optimization completed. Is my structure reliable? How do I generate Natural Transition Orbitals? Quiz: Name that Link 0 Command! GaussView Tip: Adding Hydrogens Selectively to a Protein GaussView Tip: Modifying Spectra Displays Gaussian Tip: Finding Out What’s in a Checkpoint File Last updated on: 14 August 2016.