My NBO related input keywords are: pop=nbo6read and $NBO archive file=jobname $end
I use the same input keywords with small molecules and it works, but doesnt work on a much bigger one.
I tried running a single point calculation before and it works without the NBO keywords.
Francisco Franco Jr
I was doing counterpoise correction together with NBO analysis and somehow, they don't work.
I removed the counterpoise correction and the run with NBO analysis terminated normally.
I guess this problem is solved.
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