CCL:G: Semi empirical method available for Zr Complex?
- From: "Ram Shankar S"
<ramchemistry2011-,-gmail.com>
- Subject: CCL:G: Semi empirical method available for Zr
Complex?
- Date: Thu, 2 Feb 2012 12:32:08 -0500
Sent to CCL by: "Ram Shankar S" [ramchemistry2011[a]gmail.com]
Dear CCL members,
My studies involve Zirconium complexes. I have studied in Cramer (Essentials of
Computational Chemistry Book) that the semi empirical parameters are available
for metal complexes, but if I run my calculation for Zr complex with PM3 or PM6
methods in Gaussian, it always end up with an following error. Could you please
suggest any other semi empirical methods for running Zr complexes in Gaussian
03/09?
Error in internal coordinate system.
Error termination via Lnk1e in C:\G09W\l103.exe at Thu Feb 02 22:54:56 2012.
Thanks in advance.
Raam