#!/bin/bash
#PBS -l nodes=1:ppn=12
#PBS -l walltime=10:00:00
#PBS -N sjjob_triphenylamine_g03
#PBS -A nd
#PBS -r n
#PBS -j oe
#PBS -m bea
#PBS -M shourjya@thinkbiosolution.com

cd $PBS_O_WORKDIR

module load gaussian/03e01 

ulimit -Ss 1048576
ulimit -Sl 524288
ulimit -c 0

g03 < babelcent_gcrt.gjf > triphenylamine_g03.out