Example: Numerical Frequencies, accurate Hartree-Fock: H2O
**********************************************************

"Download H2O_HF_freq.run"

   #!/bin/sh

   # Example shows a Hartree-Fock frequency calculation with an accurate basis set.
   # Note that numerical issues may be present in ADF with large basis sets icw
   # Hartree-Fock or (range-separated) (meta-)hybrids.
   # An RIHartreeFock  VeryGood fit set is recommended in those cases.

   # First a geometry optimization is performed.


   AMS_JOBNAME=GO $AMSBIN/ams <<eor
   System
     atoms
        O         0.000000    0.000000   -0.007124
        H         0.000000    0.751933    0.556531
        H         0.000000   -0.751933    0.556531
     end
   end

   Task GeometryOptimization

   Engine ADF
     title accurate HF geometry optimization with large QZ4P basis set
     basis
       type QZ4P
       core None
     end
     numericalquality Good
     rihartreefock
       quality verygood
     end
     xc
       hartreefock
     end
   EndEngine
   eor


   # Next the frequency calculation is done.


   AMS_JOBNAME=Freq $AMSBIN/ams <<eor

   LoadSystem 
     File GO.results/adf.rkf
   End

   Task SinglePoint

   Properties
     NormalModes Yes
   End

   Engine ADF
     title accurate HF frequency calculation with large QZ4P basis set
     basis
       type QZ4P
       core None
     end
     numericalquality Good
     rihartreefock
       quality verygood
     end
     xc
       hartreefock
     end
   EndEngine
   eor
