NBO plotting files

NBO plotting files

Postby Smin » Tue Aug 23, 2016 10:10 pm

Dear all,

I am using Gaussian 09 and NBO6 with $NBO PLOT FILE=jobname $END keyword.
But it gives me only file 31 to 41 except for file 46.
How could I get NBO plotting file 46.

Thanks
Smin
 
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Re: NBO plotting files

Postby ericg » Thu Aug 25, 2016 9:17 pm

Are you sure that you're using NBO6 with Gaussian09? Ensure that you include "pop=nbo6read" in the Gaussian route, not "pop=nboread". The latter would execute G09's old NBO 3.1 that won't write FILE46.

If you are using pop=nbo6read but still don't get FILE46, I'd appreciate seeing a copy of your input file so that I could try the calculation myself.

Eric
ericg
 
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