Gaussian, NWchem, among others, can run countless number of jobs in one run:
optimization followed by frequency calculation followed by single point
followed by... I bet right now only first (or the last) job
coordinates can be manipulated by OpenBabel. Would be useful to have a drop down box
(or better yet some sort of job layout summary), where one could pick a job
from a multistep job and manipulate this particular job coordinates