anchor.diff:    implicit none
     character(len=36)        :: filename 
     integer                  :: i,j
  +  character(len=3)         :: reference
   
     filename = trim(mol_name) // ".xyz"
   
  
positive.code:   enddo
    nel = nel - charge
  
    write(*,*) ""
    write(*,*) "  1e Dimension    = ", dim_1e
    write(*,*) "  2e Dimension    = ", dim_2e
    write(*,*) "  No of electrons = ", nel 
    write(*,*) "  No of electrons = ", nel 
    write(*,*) ""
  
  
  
negative.code:   read(10,*) natoms
    call allocate_geo
  
    read(10,*) charge, mult, reference
  
    if(reference == "rhf")then
      calctype = "rhf"
      spins = 1
    elseif(reference == "uhf")then
      calctype = "uhf"
      spins = 2
    endif
  
    do i=1,natoms
      read(10,*) atom(i),xyz(i,1),xyz(i,2),xyz(i,3)
  