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August 23, 2019

NBO Calculations in GAMESS? Log Out | Topics | Search
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Author Message
Bob Gotwals
Unregistered guest
Posted on Monday, July 30, 2007 - 3:42 pm:   

Can this be done? I tried adding $NBO $END to the generated output, but didn't see anything in the raw output. If this DOES work, I'd like to add this to the pulldown menu and the MOViewer capabilities.
JR Schmidt
Moderator
Username: Schmidt

Post Number: 21
Registered: 11-2006
Posted on Monday, July 30, 2007 - 3:48 pm:   

NBO is not built into GAMESS. If you purchase NBO 5 (which is sold at a low cost by the University of Wisconsin) I believe that support for NBO can be linked into GAMESS.

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