autorun: true
define:
  func: B3LYP
  bset: 6-31G(d)
  scrf: 
  DFT-D: em=gd3bj

$opt
  %source origin
  %control
    totcore 4
    totmem 4000
  %keywords "opt freq [func]/[bset] [scrf] [DFT-D] out=wfn"
    %extrakeywords
N.wfn
  end exkwd
  %process
    formchk [inputname].chk [inputname].fchk
    copy [inputname].out [inputname].log 

$N-1
  %source opt
  %control
    totcore 4
    totmem 4000
  %keywords "[func]/[bset] [scrf] [DFT-D] out=wfn"
  %mod   
      spin    add  1
      charge  add  1
  %extrakeywords
N-1.wfn
  end exkwd
  %process
    formchk [inputname].chk [inputname].fchk
    copy [inputname].out [inputname].log 

$N+1
  %source opt
  %control
    totcore 4
    totmem 4000
  %keywords "[func]/[bset] [scrf] [DFT-D] out=wfn"
  %mod
      spin    add      1
      charge  subtract 1
  %extrakeywords
N+1.wfn
  end exkwd
  %process
    formchk [inputname].chk [inputname].fchk
    copy [inputname].out [inputname].log 

$CDFT
  %source opt,N+1,N-1
  %program script
  %keywords "123"
  %control 
      totcore 4
      totmem 4000 
  %extrakeywords
copy "..\opt\opt_[originname].fchk" . 
copy "..\opt\N.wfn" . 
copy "..\N-1\N-1.wfn" . 
copy "..\N+1\N+1.wfn" .
  end exkwd
  %process
    banewfn cdft opt_[originname].fchk