- From: "sikander azam"
- Subject: CCL:G: g03
- Date: Fri, 4 May 2007 11:20:38 +0200
My problem is when I use
the g03 for the geometry optimization using the command job line:
# opt b3lyp/3-21g**
results are not much different from the starting structure even when I
give a high energy geometry structure, the gaussian does not change it
to the lowest energy structure just few changes in the bonds lengths.
In other words the Gaussian does not change the geometry to the lowest
energy structure, although it gaves me the energy. why?
And what is the keywords available
for getting the lowest energy structure??
can you help me please?