[molpro-user] problem with popt option

rsb20 at uakron.edu rsb20 at uakron.edu
Fri Jun 5 17:07:51 BST 2009

Hi molpro users,

I tried to do partial optimization of methylamine using molpro2006.1 
and compare the result with one obtained using g03. I found 
differences. I used same level and basis. I put 'opt=tight' while using 
g03. But, I could not figure it out the equivalent opt option for 
molpro. Could you please suggest me the optimization option for molpro 
which is equivalent to "opt=tight for g03"?

Thank you very much


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