#!/bin/bash
for (( i=1; i<=$NOF; i++))
do
echo $i
mkdir tmp 
cp $i.fr.x tmp/FILE.X
cp *TXT tmp
cd tmp
#make gaussian input:
xinp
g09 FILE.INP FRE.OUT
gg FRE.OUT z
echo AUTO > AUTO
#fix windows version of gaussian:
sed -i 's/|/\\/g' FRE.OUT
#extract gradient:
gar9
cp FILE.GR ../$i.fr.gr
cd ..
rm -rf tmp
done