From owner-chemistry@ccl.net Tue Sep 26 09:49:01 2006 From: "Orlin Blajiev blajiev- -vub.ac.be" To: CCL Subject: CCL:G: Link in Gaussian Message-Id: <-32625-060926092155-19585-wwp8ngrHlYsoWuc4MhYpEw.:.server.ccl.net> X-Original-From: Orlin Blajiev Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Tue, 26 Sep 2006 14:28:15 +0200 MIME-Version: 1.0 Sent to CCL by: Orlin Blajiev [blajiev^_^vub.ac.be] Hi, I will very much appreciate if somebody lets me know what is wrong with the input for a multistep work so that I got the given error message. It is not memory as both steps work separately. The input: %chk=/u/blajiev/gauss/amtd/amtd.chk #T B3LYP/6-31G* opt=(maxcyc=200) gfprint pop=(full) XX amtd.pdb 0 1 N 3.157313 2.400971 0.000000 C 1.840648 2.280898 0.000000 N 1.570839 0.875138 0.000000 N -0.345408 -0.822575 0.000000 C -1.732359 -0.842589 0.000000 S -2.197813 -2.520605 0.000000 S 0.000000 0.744727 0.000000 H 3.793522 1.597308 0.000000 H 3.575380 3.321957 0.000000 H -3.532824 -2.309817 0.000000 --Link1-- %chk=/u/blajiev/gauss/amtd/amtd.chk %mem=200MW #T B3LYP/6-31G* freq Geom=Check iop(7/33=1) Freq The error: Redundant internal coordinates taken from checkpoint file: /u/blajiev/gauss/amtd/amtd.chk End of file in GetChg. Error termination via Lnk1e in /usr/local/products/g03/exe/l101.exe at Tue Sep 26 14:01:26 2006. Job cpu time: 0 days 0 hours 0 minutes 1.9 seconds. File lengths (MBytes): RWF= 8 Int= 0 D2E= 0 Chk= 7 Scr= 1 -- Orlin Blajiev Department of Metallurgy, Electrochemistry and Materials Science Faculty of Applied Science Vrije Universiteit Brussel Pleinlaan 2, B-1050 Brussels Belgium http://www.vub.ac.be/META/ tel.: 32-(0)2-6293538 fax : 32-(0)2-6293200