CCL:G: Problem with Gaussian opt(EF,TS)

 Sent to CCL by: "Sten Nilsson Lill" [stenil*_*chem.gu.se]
 Dear Shina,
 I think your problem is due to the size of your molecule. The EF-algorithm
 has a dimensioning limit of 50 active variables, i.e. degrees of freedom.
 A system of 39 atoms has 3*39-6=111 degrees of freedom (as reported in
 your error message) which thus are too many for the current version of EF.
 Hope this helps,
 Sten Nilsson Lill
 > Hi, I think you should use # B3LYP/6-31+G* opt=(ef,ts,calcall).
 >
 > "Shina Kamerlin skamerli:_:usc.edu"
 <owner-chemistry===ccl.net> wrote:
 > Sent to CCL by: "Shina Kamerlin" [skamerli],[usc.edu]
 >
 > Hello all,
 >
 > I am having problems using Gaussian's opt(EF,TS), in that I get the
 > following error message:
 >
 > ************************************************
 > ** ERROR IN INITEF. NUMBER OF VARIABLES (111) **
 > ** INCORRECT (SHOULD BE BETWEEN 1 AND 50) **
 > ************************************************
 >
 > I have gotten variations of this before for other structures where then I
 > got NUMBER OF VARIABLES (0) instead of 111. This is a problem I have only
 > had with G03 (which my new research group uses), never with G98, and it
 > occurs mainly with larger structures, in this case 40 atoms. I'm using
 > B3LYP/6-31+G*. I did a More O'Ferrall-Jencks plot in solution, so I am
 > fairly sure that this structure is almost at the transition state. Someone
 > posted this previously and it was suggested that they use ZMAT rather than
 > Cartesian coordinates. I have tried both and get the same error message. I
 > have tried other alternatives, like for instance using just TS or trying
 > GDIIS, but its a difficult structure and I am fairly sure the only way to
 > get this TS is using EF. Has anyone had this problem before, and does
 > anyone know what is going on? I have never had this problem using EF
 > before.
 >
 > Thanks,
 >
 > Shina Lynn
 > Kamerlinhttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp-:-//www.ccl.net/chemistry/sub_unsub.shtmlhttp-:-//www.ccl.net/spammers.txt__________________________________________________
 > Do You Yahoo!?
 > Tired of spam?  Yahoo! Mail has the best spam protection around
 > http://mail.yahoo.com
 Ph. D. Sten Nilsson Lill
 Dep. of Chemistry
 Göteborg University
 Kemigården 4
 S-412 96 Göteborg, Sweden
 Phone: +46-31-772 2901
 Fax: +46-31-772 3840
 E-mail: stenil-.-chem.gu.se
 Alternative e-mail: slill1-.-lsu.edu