From owner-chemistry@ccl.net Sun Aug 28 22:27:37 2005 From: "CCL" To: CCL Subject: Gausssian 03 X-Original-From: ekin KARABIYIK Content-Transfer-Encoding: 8bit Content-Type: multipart/mixed; boundary="0-1497879622-1122821658=:92668" Date: Sun, 31 Jul 2005 07:54:18 -0700 (PDT) MIME-Version: 1.0 Sent to CCL by: ekin KARABIYIK [ekinkrbyk(a)yahoo.com] --0-1497879622-1122821658=:92668 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: 8bit Content-Id: Content-Disposition: inline Dear Mr. Hess; I use the licenced Gaussian03 programme and i work on a schiff-based molecule. I tried to have that molecule’s confirmation analyse done and i tried to observe its torsion angles’ eigenvalues (C3-N1-C2-C1)angle from 0. to 180. degree with 10 degree increases. At the end of this process the exception no: #2070 occurs. Can please inform me about this exception? I am enclosing an ins. file about my molecule an d an input file that i have converted to Z matrix. I wonder if you can correct my mistakes in these files or if you can prepare another file for me. ____________________________________________________ Start your day with Yahoo! - make it your home page http://www.yahoo.com/r/hs --0-1497879622-1122821658=:92668 Content-Type: application/x-internet-signup; name="ek.INS" Content-Transfer-Encoding: base64 Content-Description: 689067984-ek.INS Content-Disposition: attachment; filename="ek.INS" VElUTCAgaGwxDQpDRUxMICAwLjcxMDY5IDI0LjgzMCA5LjY0MiA5LjE3NiA5 MCA5MCA5MA0KWkVSUiAgNCAgIDAuMDAyIDAuMDAyICAwLjAwNiAgMC4wMCAg MC4wMCAgMC4wMA0KU0ZBQyBDIEggTiBPDQpVTklUIDkyIDEyMCA4IDE2DQpM LlMuIDENCldHSFQgICAgMC4wNTI3MDANCkZWQVIgICAgMC4xODI5OCAwLjUg MC41DQpNT0xFICAgMQ0KQzEyICAgICAgMSAgIDAuNzE3MTUgICAwLjI0OTUw ICAgMC43MDMzMCAgICAxMS4wMDAwMCAgICAgMC4wNTAwMA0KQzExICAgICAg MSAgIDAuNzQyMDIgICAwLjMzODYwICAgMC44MDA0MCAgICAxMS4wMDAwMCAg ICAgMC4wNTAwMA0KQzEwICAgICAgMSAgIDAuNzE2MzQgICAwLjQ1ODEwICAg MC44NDM3MCAgICAxMS4wMDAwMCAgICAgMC4wNTAwMA0KQzkgICAgICAgMSAg 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