Example: Resonance VROA: H2O2
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"Download VROA_RESO.run"

   #! /bin/sh

   # Example shows a calculation of resonance vibrational Raman optical activity
   # (resonance VROA).

   # For accuracy reasons 'NumericalQuality Good' and EXACTDENSITY are used. 


   $AMSBIN/ams <<eor
   System
     atoms
        O        -0.750254   -0.034490    0.015133
        O         0.750254    0.034490    0.015133
        H        -0.943532    0.744006    0.580040
        H         0.943532   -0.744006    0.580040
     End
   End

   UseSymmetry NO

   Task SinglePoint

   Properties
     VROA True
   End

   Raman
     IncidentFrequency 5.15462 [eV]
     Lifetime 0.0037
   End

   Engine ADF
     Title VROA-RESO TEST H2O2

     NumericalQuality Good

     ExactDensity

     Basis
       Core None
       Type TZP
     End

     SCF
       Converge 1.0e-10
     End

     XC
       GGA BLYP
     End
   EndEngine

   eor

   # Note that used basis set is too small to get accurate results. Better is to
   # use larger basis sets for such a small molecule, like one of the even
   # tempered basis sets (for example Type ET/ET-QZ3P-1DIFFUSE), or use augmented
   # basis sets (for example Type AUG/ATZ2P).
