Subject: Cadmium complex

From: "Teodorico Ramalho" <[email-masked]>
Date: Mon, 27 Mar 2000 12:25:08 -0300

Dear CCL:

    Which programs (commercial or not) are available for the calculation
of the cadmium complexes. I used semi-empirical pm3(tm), in PC Spartan
Pro. But it is distorce the tetraedric geometry. There is 60 atoms in my
complex. Can I use DFT ?  Which basic sets I can use. 

    I would appreciate any comments and hints to this problem and will
summarize the answers if possible.

With best regards

Teodorico C. Ramalho
IME