CCL: dissociation problem

 Dear Elmar,
 I would say the issue you are refering to has nothing to do with PCM,
 but is probably due to a DFT artifact, which is the wrong dissociation
of NaCl, even in the gas phase. Your asymptotic system is a singlet open shell, with two electrons, alone in their orbitals. DFT poorly addresses this situation, 
 because of the approximative cancelation of the self interaction.
 To check this:
 1- verify that at the crude HF level, your long range PCM energy is the sum
 of the PCM energies of the fragments.
 2-  check if your (gas phase) long range B3LYP calculation yields
 fragments with 0 charges. If not, DFT is of no help to you.
 P.
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 Pierre Archirel
 Groupe de Chimie Thiorique
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 France                   pierre.archirel !! lcp.u-psud.fr
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