Gaussian is the most popular general purpose electronic structure program. Recent versions can perform density functional theory, Hartree-Fock, Möller-Plesset, coupled-cluster, and configuration interaction calculations among others. Geometry optimizations, vibrational frequencies, magnetic properties, and solution modeling are available. It performs well as black-box software on closed-shell ground state systems.
The XDMoD tool at xdmod.osc.edu can be used to get an overview of how accurate the requested wall-time of jobs are with the actual wall-time of jobs.
The requested wall-time is the amount of time that one wants to reserve resources.
#PBS -l walltime=xx:xx:xx
The actual walltime is how long the job held the reserved resources before completing. It will be related to one in the job output file with filename