G94 Methods and basis for coordination compounds

[Pablo Vitoria Garcia <qibvigap-0at0-lg.ehu.es>]

 Dear colleagues,
 I've been using G94 and GAMESS for a while now, and I'm more or less
 familiar with their methods, but only for organic molecules. Now I need
 to do some energy calculations on diethylentriamine complexes of Co(III),
 Ni(II) and several other metals, and I am quite lost, due to SCF
 convergence problems.
 Could anybody give mesom einformation about the 'best' methods and basis
 for these kind of chemical compounds? Or point me to some literature
 about it? I've read the books by Tim Clark and Hehre, but since they are
 quite 'old' they deal mostly with small organic molecules.
 Thanks a lot
 Pablo
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 Pablo Vitoria Garcia
 Departamento de Quimica Inorganica, Facultad de Ciencias
 Universidad del Pais Vasco (UPV/EHU)
 Apartado 644, E-48080 Bilbao
 SPAIN
 e-mail: qibvigap-0at0-lgdx02.lg.ehu.es
 Phone: +34 4 4647700 Ext. 2450
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