Subject: W:Double bond problem on transition metals

From: "Chenk, , Huncu" <che_hun(at)yahoo.com>
Date: Tue, 19 Apr 2005 05:16:02 -0400

Hello All,

I do SP+FREQ calculations of some transition metals on B3lYP/LANL2DZ level with Gaussian03.

For some of the compounds i.e. Cu2M=O, CuHM=O or Cu=M=O (M=Ti,Zr,Si...) I cannot produce double bond between M and O or Cu and M. 
What should I do to fix this problem?

Many Thanks,
Chenk Huncu

che_hun(at)yahoo.com
Osmangazi University
Chemical Engineering Department
Eskisehir