Subject: SCIPCM for solvation of cluster Au10

From: Pilar Carro <[email-masked]>
Date: Fri, 09 Mar 2001 13:18:31 +0000

Dear CCL'ers,
    I am trying to calculate the solvation of a cluster of 10 atoms of
gold with G98W employing the IPCM method. My route section is:
#P B3LYP/Gen Pseudo=Read SCF=tight  Nosymm SCRF(SCIPCM)

Before it begins L502 appear the following error message:
 A solvent integration origin lies outside the cavity!

Would anybody know where is the problem?
Thanks in advance for your help,
P. Carro