#!/bin/csh
# usage: runlist base_file_name output_name <distances>

set base = $1
set out  = $2
set i=3
 while ( $i <=  $#argv )
   set  x=$argv[$i]

#  First use RHF 6-311G** to get the MO's
   rm nene6-311GSS.dat
   sed "s/variable_r/$x/" < nene6-311GSS.base > nene6-311GSS.inp
   rungms nene6-311GSS >& nene6-311GSS.log

   sed "s/variable_r/$x/" < $base.base > $base.inp
#  copy the MO's for CI calculation
   cat nene6-311GSS.dat | block ' $VEC' ' $END' >> $base.inp
   rm $base.dat
   rungms $base >& $base.log

   echo $x >> num
   grep " STATE #    1  ENERGY =" $base.log | cut -b 27-40 >> dat
   echo "Job R=$x done"
   @ i++ 
 end
paste num dat > $out.OUT
rm num dat nene6-311GSS.dat $base.dat core