Example: NMR Nucleus-independent chemical shifts (NICS): PF3
************************************************************

"Download NMR_NICS.run"

   #!/bin/sh


   # The NMR program enables the calculation of so-called nucleus-independent
   # chemical shifts (NICS). More details are available in the Properties Programs
   # User's Guide.

   # In the ADF run, the ElectrostaticEmbedding key is used to define points charges with zero
   # charge. The GHOSTS key in the nmr program then basically copies this block.
   # For the interpretation of the results we refer to the literature.


   AMS_JOBNAME=NICS $AMSBIN/ams <<eor
   System
     atoms
        P         1.000000    0.000000    0.000000
        F         1.813256    1.425667    0.000000
        F         1.813256   -0.712834    1.234664
        F         1.813256   -0.712834   -1.234664
     end
     ElectrostaticEmbedding
       MultipolePotential
         Coordinates
            3.0 4.0 5.0 0.0
            1.0 2.0 3.0 0.0
         end
       end
     end
   end

   Task SinglePoint

   Engine ADF
     title PF3 - scf
     basis
       core Large
       type TZP
       CreateOutput Yes
     end
     numericalquality Good
     save TAPE10
     symmetry NOSYM
     xc
       gga revPBE
     end
     Relativity
       Level None
     End
   EndEngine
   eor

   $AMSBIN/nmr <<eor
   adffile NICS.results/adf.rkf
   tape10file NICS.results/TAPE10
   NMR
     Out Iso Tens
     GHOSTS
        3.0 4.0 5.0
        1.0 2.0 3.0
     END
   END
   eor
