CCL:G: problem with BSSE



 Sent to CCL by: Tanja van Mourik [tanja.vanmourik-$-st-andrews.ac.uk]
 Hi Eric,
 
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 Dear friends,
 I tried to calculate the BSSE in gaussian03. However,
 I failed to ran my *.com file. Would you please help
 me. I attach my *.com and *.log files.
 
Many thanks in advance.
 
I'd propose to use Gaussian's Counterpoise keyword, instead of the old-style Massage. In addition to being much easier to use, the "Counterpoise" option also ensures that proper (matching) integration grid points are used for the ghost atoms.
 Best wishes,
 Tanja
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    Tanja van Mourik
    Royal Society University Research Fellow
    School of Chemistry, University of St. Andrews
    North Haugh, St. Andrews
    Fife KY16 9ST, Scotland (UK)
    email: tanja.vanmourik]_[st-andrews.ac.uk
    web:   http://chemistry.st-and.ac.uk/staffmember.php?id=tvm
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