Example: Mobile Block Hessian: CH4
**********************************

"Download MBH_CH4.run"

   #! /bin/sh

   # A frequency calculation is performed using the mobile block Hessian
   # (MBH)method. The coordinates in the ATOMS section should be the partially
   # optimized coordinates (or the fully optimized coordinates would work too).

   # Such geometry optimization will not be discussed here any further. The next
   # input for ADF shows how to perform a frequency calculation with MBH.


   $AMSBIN/ams <<eor
   System
     atoms
        C         0.000000    0.000000    0.000000
        H         0.634671    0.634671    0.634671
        H        -0.634671   -0.634671    0.634671
        H        -0.634671    0.634671   -0.634671
        H         0.634671   -0.634671   -0.634671
     end
   end

   Task SinglePoint
   Properties
       NormalModes True
   End

   NormalModes
     Displacements Block
     BlockDisplacements
       BlockAtoms 1 2 3 4
       RadialDisplacement 0.001
     End
   End

   Engine ADF
     title Methane
     basis
       core None
       type DZ
       CreateOutput Yes
     end
     numericalquality verygood
     symmetry nosym
   EndEngine
   eor

   # The quality of the frequencies/modes depends largely on the block choice. Best
   # results are obtained when grouping atoms in a block if those atoms are known
   # to form rather rigid structures. For instance, grouping the 11 atoms of
   # benzene side group into a block, will usually result in representative
   # frequencies. In this example the block choice is only illustrative for the
   # methodology.

