Problem with BSSE calculation at DFT level

[dzd]

Hello,

I'm trying to perform geometry optimization of a trimer including BSSE. Every time I get something like this:

Error in Gradient/post-HF/post-DFT step ... please check:monomer3/dftgrad.out.monomer3

 ========================
  internal module stack:
 ------------------------
    bsseenergy
 ========================

 Gradient/post-HF/post-DFT program failed!
 bsseenergy ended abnormally
error in evaluation step... aborting
 

And dftgrad.out.monomer3 ends with:

 what should i do ?
 you specified neither cartesian nor basis set gradients !
 therefore i say bye bye and wait for better seasons ....


 MODTRACE: no modules on stack

 fatal error in grad.
 grad ended abnormally

I would be grateful for any clue.

dzd

[uwe]

Hi,

is one a the monomers a single atom?

Uwe

[dzd]

Yes, monomer 3 is a Xe atom.

dzd