[molpro-user] NBO with CC density

Jose A. Gamez joseantonio.gamez at uam.es
Fri Feb 5 14:34:55 GMT 2010

Hi, all,

I know that in other packages (like Gaussian) it is possible to perform an NBO 
analysis using the MP2 or CC density instead of the HF one. Can this be done 
in MOLPRO as well? I've been trying but the NBO routine always uses the HF 

Thanks for your help.


Jose A. Gamez

Departamento de Química, C-13
Universidad Autonoma de Madrid
Cantoblanco, 28049-Madrid. Spain
Phone: +34-91-497-3854
FAX: +34-91-497-5238

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