CCL: Wavefunction file for GAMESS

Years ago I was working with GAMESS it had a keyword for making wfn files. It was simply Bader. But honestly I haven't worked with GAMESS for years. I hope it's still there. 

Good luck, 
Cina

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From:"Tymofii Nikolaienko tim_mail..ukr.net" <owner-chemistry[A]ccl.net>
Date:Sun, 19 Apr, 2015 at 21:40
Subject:CCL: Wavefunction file for GAMESS

You may try using some options of GAMESS to print MO coefficients into its output file,
then take MOLDEN to open it and save in a .molden format.
Finally, use Molden2AIM ( http://people.smu.edu/wzou/program/ ) to convert .molden file to .wfn.
Some quantum chemistry codes may have different basis function normalization
conventions. To check that your .molden file is OK, JANPA program can help ( http://janpa.sf.net ) -
it checks for basis function normalization and orthogonality at the beginning of calculations.

Tymofii


19.04.2015 7:24, Kaushik Hatua kaushikhatua[]yahoo.in wrote:
G09 has straight forward keyword for generation .wfn file. Can anybody know similar keyword for GAMESS
or FIREFLY

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