# translate the outfile to xyzfile

s=`grep -n "Standard orientation" $1|tail -1|cut -d: -f1`
r=`grep -n "Rotational constants" $1|tail -1|cut -d: -f1`
size=$((r-s-6))
gout=$1
gxyz=$2

echo $size>$gxyz
echo "Generate by out-xyz">>$gxyz
getxyz $gout>>$gxyz

/Users/lhr/lhrkits/labkit//bin/out2xyz /var/folders/4z/5s255jgx2ln21lq24j5p0f2r0000gp/T/tmpUwpxxz /var/folders/4z/5s255jgx2ln21lq24j5p0f2r0000gp/T/tmpO1WoqN