#!/bin/sh 

# Example for an ESR A-tensor calculation.

# Be aware that the calculation must be spin unrestricted and the ATENSOR
# keyword must be present, too.

$AMSBIN/ams <<eor

Task SinglePoint

System
   Atoms
      Ti  0.0     0.0               0.0 
      F   1.78    0.0               0.0
      F  -0.89    1.541525218736    0.0
      F  -0.89   -1.541525218736    0.0
   end 
End

Engine Band 
   Title TiF3

   Unrestricted True

   EFG
      Enabled True
   End

   ATensor
      Enabled True
   End

   Basis
      Type TZP
      Core None
   End
EndEngine
eor