anchor.diff:    DEALLOCATE(  ROOH_pred_freq )
     DEALLOCATE(  ROOR_pred_freq )
     DEALLOCATE(  peroxy_pred_freq )
  +  DEALLOCATE(  Rings_pred_freq ) 
   
   END SUBROUTINE calc_predicted_freq
   !------------------------------------------------------------------------------
  
positive.code:   ROOR      = bond_info(23)
    Peroxy    = bond_info(24)
  
  
  ! Useful for debugging
   WRITE(*,*) ' RsCH3 = ', RsCH3
  
negative.code:  WRITE(*,*) ' ROOH = ', ROOH
   WRITE(*,*) ' ROOR = ', ROOR
   WRITE(*,*) ' Peroxy = ', Peroxy
   WRITE(*,*) ' Rings = ', Rings
  
  
  !------------------------------------------------------------------------------
  