Dear Zohre, tell me what do you mean by: counterpoise correction?

This stackexchange thread has a concise answer and some links to other resources, including the original paper by Boys and Bernardi.

https://scicomp.stackexchange.com/questions/3/what-is-counterpoise-correction

I think most quantum chemistry packages should give you the relevant energies right away in their output, no need to calculate them yourself.

Hi,

There is an excellent short tutorial for Counter poise correction by Prof. David Sherrill

http://vergil.chemistry.gatech.edu/notes/cp.pdf

The following link gives how CP correction is performed in common  QM package like gaussian.

http://timn.ho.ua/ccs/bsse.htm