How can I calculate CHELPG charges using Breneman and Wiberg method for my schiff base metal complexes involving 3d metal ions?

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Bartosz Trzaskowski

You just need to add one keyword to the gaussian input line, namely: Pop=CHelpG. See gaussian03 population keyword help at http://www.lct.jussieu.fr/manuels/Gaussian03/g_ur/k_population.htm.

Avni Berisha

Here you find a Gaussian input file for this type of calc.

http://www.cup.uni-muenchen.de/ch/compchem/pop/chelpg.html

Kind regards,

Avni