#! /bin/bash

module load gaussian16

g16 << eor

%chk=$SGE_O_WORKDIR/$JOB_NAME
%nproc=$NSLOTS
%mem=4GB
# m06/cc-pvdz opt freq=noraman scrf=(pcm,solvent=toluene) empiricaldispersion=gd3

CO opt freq

0 1
6        0.000000000      0.000000000     -0.666565000
8        0.000000000      0.000000000      0.499924000

eor

