potential energy of interaction using DFT !!

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Hi,
I am trying to get the interaction-potential (hydrogen bond) between 2 monomers using DFT with BSSE correction.
For the above purpose I have designed the following code:
title 'bond_energy'
start dimer
geometry units angstrom
  #symmetry c1
  N 2.739 24.753 58.631
  H 2.603 25.170 59.371
  O 2.533 26.305 61.093
  C 2.375 27.069 62.059
end
basis "ao basis"
  N library 6-31g
  H library 6-31g
  O library 6-31g
  C library 6-31g
  bqN library N 6-31g
  bqH library H 6-31g
  bqO library O 6-31g
  bqC library C 6-31g
end
dft
  xc m06-2x
  direct
  #convergence energy 1e-8
  iterations 6000
end
bsse
  mon first 1 2
  mon second 3 4
end
task dft energy


So, from this code I'm getting an energy value of -1.42 kcal/mol.
Now, subtracting the sum of isolated energies of monomers from the total-bsse-energy, I got this energy value of 0.00226 Hartree.
Will anyone please tell me is it the right way or i'm heading the wrong way... ??
please reply...
Thank you.
Edited On 11:49:59 PM PST - Sun, Mar 1st 2015 by Neo


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