program inputcage 
      parameter (nat0=5500)
      dimension r(nat0,3),ia(nat0)
c
      write(*,*)' This program takes a geometry in FILE.X'
      write(*,*)'and recommends cage dimensions for a cube'
      write(*,*)'with electron mapping; intended as a supplement'
      write(*,*)'to Gaussian 98'
      write(*,*)
      open(3,file='FILE.X')
      read(3,*)
      read(3,*)nat
      write(*,*)nat,' atoms'
      if(nat.gt.nat0)then
       write(6,*)'Too many atoms'
       stop
      endif
      do 1 i=1,nat
      read(3,*)ia(i),x,y,z
      r(i,1)=x
      r(i,2)=y
      r(i,3)=z
      if(ij.eq.1)then
       d=2.0
      else
       d=2.5
      endif
      if(i.eq.1)then
       xa=x
       xi=x
       yi=y
       ya=y
       zi=z
       za=z
       xac=x+d
       xic=x-d
       yac=y+d
       yic=y-d
       zac=z+d
       zic=z-d
      else
       if(x.lt.xi)xi=x
       if(y.lt.yi)yi=y
       if(z.lt.zi)zi=z
       if(x.gt.xa)xa=x
       if(y.gt.ya)ya=y
       if(z.gt.za)za=z
       if(x-d.lt.xic)xic=x-d
       if(y-d.lt.yic)yic=y-d
       if(z-d.lt.zic)zic=z-d
       if(x+d.gt.xac)xac=x+d
       if(y+d.gt.yac)yac=y+d
       if(z+d.gt.zac)zac=z+d
      endif
1     continue
      close(3)
      write(*,6000)
      write(*,6001)xi,xa,yi,ya,zi,za
      write(*,6002)
      write(*,6001)xic,xac,yic,yac,zic,zac
6000  format(
     1'Found range       X                    Y                    Z')
6001  format(f8.2,' to',F8.2,f10.2,' to',f8.2,f10.2,' to',f8.2,' A',/)
6002  format(
     1'Recommended cage  X                    Y                    Z')
      d=0.5
      nx=int((xac-xic)/d)
      ny=int((yac-yic)/d)
      nz=int((zac-zic)/d)
      write(*,6003)d,nx,ny,nz
6003  format('Grid ',f7.3,' A: ',I4,' x ',I4,' x ',I4)
      d=0.25
      nx=int((xac-xic)/d)
      ny=int((yac-yic)/d)
      nz=int((zac-zic)/d)
      write(*,6003)d,nx,ny,nz
      open(4,file='CAGE')
      open(45,file='CAGE.PAR')
      write(4,4001)
4001  format('#HF/6-31G** Geom=(NoDistance,NoAngle) ',/,
     1'cube=(density,cards) nosymm',/,/,
     2'example of density calculation',/,/,
     3'0 1')
      do 100 i=1,nat
100   write(4,4002)ia(i),(r(i,j),j=1,3)
4002  format(I3,3F15.6)
      write(4,*)
      write(4,4003)
4003  format('DENSITY.BBB')
      write(4,4004)-2,xic,yic,zic
      write(45,4004)-2,xic,yic,zic
4004  format(I5,3f12.6)
      write(4,4004)nx,  d,0.0,0.0
      write(4,4004)ny,0.0,  d,0.0
      write(4,4004)nz,0.0,0.0,  d
      write(45,4004)nx,  d,0.0,0.0
      write(45,4004)ny,0.0,  d,0.0
      write(45,4004)nz,0.0,0.0,  d
      write(4,*)
      close(4) 
      close(45) 
      stop
      end