Example: Water-MeOH - DODSCAN
*****************************

"Download Water_MeOH_DODSCAN.run"

   #! /bin/sh

   # Calculation on the bonding energy of the Water-methanol dimer using
   # the meta-hybrid based, dispersion corrected double-hybrid functional DOD-SCAN. 

   # the AO-based algorithm is employed here by default, 8 numerical quadrature points
   # are used for the numerical Laplace transform (as opposed to 9, which is the default). 
   # For the MP2 calculation only, the Normal fitset is used, while during the SCF 
   # default numerical settings are used together with the VeryGood fitset. 


   $AMSBIN/ams <<eor
   System
     atoms
        O     -0.525330     -0.050971     -0.314517
        H     -0.942007      0.747902      0.011253
        H      0.403697      0.059786     -0.073568
        O      2.316633      0.045501      0.071858
        H      2.684616     -0.526577      0.749387
        C      2.781638     -0.426129     -1.190301
        H      2.350821      0.224965     -1.943415
        H      3.867602     -0.375336     -1.264613
        H      2.453296     -1.445999     -1.389381
     End
   End

   Task SinglePoint

   Engine ADF
     basis
       core None
       type DZP
     End

     XC
       DoubleHybrid DODSCAN
     End
     
     MBPT
       nTime 8
       FitSetQuality Normal  
     END
     RIHartreeFock
       FitSetQuality VeryGood
     End
   EndEngine

   eor
