#!/bin/bash
#PBS -A PAA0009
#PBS -N M2_Leu121
#PBS -S /bin/sh
#PBS -r n
#PBS -l walltime=00:59:00
#PBS -l nodes=1:ppn=1
#PBS -l mem=2000MB
NPROCS=`wc -l < $PBS_NODEFILE`
cd $PBS_O_WORKDIR

#--------------------------------------------------------------#
# Molcas settings
#--------------------------------------------------------------#

module load gaussian/g09e01
g09 gly12.com>gly12.run.log