#!/bin/sh
rm -f tempuff1 tempuff2 tempuff3 tempuff4
cat $2 | awk '{
if(NR==1) {
  printf "# uff force nosym test units=au\n\ntest\n\n%3d%3d\n",$3,$4
  n = $1 }
if(NR!=1) print $1,$2,$3,$4 
if(NR==(n+1)) printf " \n \n \n" }' > tempuff1
g16 < tempuff1 > tempuff2
awk '{if($1=="Energy=") printf "%20.12e%20.12e%20.12e%20.12e\n", $2,0.0,0.0,0.0}' tempuff2 > tempuff3
awk '/Center     Atomic                   Forces/,/Cartesian Forces/' tempuff2 | awk '{if((NR-3)==$1) printf "%20.12e%20.12e%20.12e\n",-$3,-$4,-$5}' > tempuff4
cat tempuff3 tempuff4 > $3
rm tempuff1 tempuff2 tempuff3 tempuff4
