CCL: Too many resonance structures in NRT

 David Eisenberg david.eisen]~[gmail.com wrote:
The job fails because there are more resonance structures than what the computer memory can cope with. I've increased the alloted memory to the maximum, and it crashes still. But I don't need all these structures! I only want to look at the major ones. Is there a way of increasing the threshold, so the program ignores the structures that contribute less than so-and-so, and thus saves on memory? And if it's not possible, any suggestions on what I might try to find the major structures anyway?
You must up the delocalisation threshold. Since the default is 1 kcal/mol you could try something like NRTTHR=10 or 20 and then go down as you please to get more resonance structures. 
 Cheers,
 Nuno
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 Nuno A. G. Bandeira, AMRSC
 Graduate researcher and molecular sculptor
 Inorganic and Theoretical Chemistry Group,
 Faculty of Science
 University of Lisbon - C8 building, Campo Grande,
 1749-016 Lisbon,Portugal
 http://cqb.fc.ul.pt/intheochem/nuno.html
 Doctoral student % IST,Lisbon
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