Re: CCL:problem with geometry optimization on G03

Hi
 Probably your system reach te highest group of symmetry
 Gaussian than stop calculations by default
 try to add NOSYMM option to your input
 > Dear all,
 >
 > I have been doing optimization of silver and copper
 > open shell complexes using DFT(b3lyp), and I often get
 > the following error message:
 >
 >
 >
 >  Stoichiometry    C20H20CuN4(2+,2)
 >  Framework group
 > D2H[O(Cu),C2(HCN.NCH),C2'(HCN.NCH),SG(C8H8),SG"(C8H8)]
 >  Deg. of freedom    22
 >  Full point group                 D2H     NOp   8
 >  Omega: Change in point group or standard orientation.
 >
 >  Old FWG=D02H
 > [O(Cu1),C2(H1C1N1.N1C1H1),C2'(H1C1N1.N1C1H1),SG'(C8H8),SG"(C8H8)
 >  New FWG=D02H
 > [O(Cu1),C2(H1C1N1.N1C1H1),C2'(H1C1N1.N1C1H1),SG(C8H8),SG"(C8H8)]
 >  Error termination via Lnk1e in
 > /usr/local/g03/l202.exe at Wed Jun 15 13:48:21 2005.
 >  Job cpu time:  0 days  0 hours 25 minutes  6.9
 > seconds.
 >  File lengths (MBytes):  RWF=    188 Int=      0 D2E=
 >     0 Chk=     22 Scr=      1
 >
 > Does anyone know how to avoid this?
 >
 > Thanks
 >
 > Ricardo O Esplugas
 > Chemistry Dept
 > Sussex University
 > UK
 >
 >
 >
 >
 > ____________________________________________________
 > Yahoo! Sports
 > Rekindle the Rivalries. Sign up for Fantasy Football
 > http://football.fantasysports.yahoo.com
 >
 >
 > -= This is automatically added to each message by the mailing script =-
 > To send e-mail to subscribers of CCL put the string CCL: on your
 > Subject: line and send your message to:  CHEMISTRY *o* ccl.net
 >
 > Send your subscription/unsubscription requests to:
 > CHEMISTRY-REQUEST *o* ccl.net  HOME Page: http://www.ccl.net   | Jobs Page:
 > http://www.ccl.net/jobs
 >
 > If your is mail bouncing from ccl.net domain due to spam filters, please
 > use the Web based form from CCL Home Page
 > -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+
 --
 Krzysztof Zborowski
 Faculty of Chemistry
 Jagiellonian University
 3 Ingardena Street
 30-060 Krakow
 Poland
 phone: +48(12)632-4888 ext. 2064 or 2067
 fax:  +48(12)634-05-15
 email: zborowsk *o* chemia.uj.edu.pl
 ICQ 158385743
 gg 3817259
 skype kzys70