From owner-chemistry;at;ccl.net Tue Dec 11 12:54:01 2007 From: "elsa costa elsa.costa*_*infarmed.pt" To: CCL Subject: CCL:G: FW: [Fwd: Transition state optimization] Message-Id: <-35802-071210061012-11316-Ufm1F5HKOx0D0MaBCE04uQ(!)server.ccl.net> X-Original-From: "elsa costa" Content-class: urn:content-classes:message Content-Type: multipart/mixed; boundary="----_=_NextPart_001_01C83B18.FF50FC62" Date: Mon, 10 Dec 2007 10:39:52 -0000 MIME-Version: 1.0 Sent to CCL by: "elsa costa" [elsa.costa.:.infarmed.pt] This is a multi-part message in MIME format. ------_=_NextPart_001_01C83B18.FF50FC62 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Dear sirs, Can you help me ? I would like to calculate and optimize the transition state of compound = in the gaussview software. I used the funtions: OPT=3D(ModRedundant, TS) = and Opt=3D(CalFC,TS) Freq, but exist the following error in both = situations. Error termination request processed by link 9999.ror termination request = processed by link 9999. > Error termination via Lnk1e in = /opt/Gaussian_03-D.01-AN-pgi5.2-3/g03/l9999.exe at Fri Dec 7 16:44:29 = 2007 How can I resolve this problem ? Many thanks, Elsa Costa -----Mensagem original----- De: ccl]*[ccl.net [mailto:ccl]*[ccl.net]=20 Enviada: s=E1bado, 8 de Dezembro de 2007 02:16 Para: elsa costa Assunto: [Fwd: Transition state optimization] Dear Elsa, You addressed your email to the CCL Administrator rather than CCL = Subscribers. Please read the instructions available from CCL Home Page = (top left navigation bar entry), or just use the Web Form available from = CCL Home Page, or send it to chemistry]*[ccl.net Jan ---------------------------- Original Message = ---------------------------- Subject: Transition state optimization > From: "elsa costa" Date: Fri, December 7, 2007 9:17 am To: chemistry-request]*[ccl.net -------------------------------------------------------------------------= - ------_=_NextPart_001_01C83B18.FF50FC62 Content-Type: text/html; name="untitled-[2]" Content-Transfer-Encoding: base64 Content-Description: untitled-[2] Content-Disposition: attachment; filename="untitled-[2]" PCFET0NUWVBFIEhUTUwgUFVCTElDICItLy9XM0MvL0RURCBIVE1MIDMuMi8vRU4iPg0KPEhUTUw+ DQo8SEVBRD4NCjxNRVRBIEhUVFAtRVFVSVY9IkNvbnRlbnQtVHlwZSIgQ09OVEVOVD0idGV4dC9o dG1sOyBjaGFyc2V0PWlzby04ODU5LTEiPg0KPE1FVEEgTkFNRT0iR2VuZXJhdG9yIiBDT05URU5U PSJNUyBFeGNoYW5nZSBTZXJ2ZXIgdmVyc2lvbiA2LjUuNzYzOC4xIj4NCjxUSVRMRT5UcmFuc2l0 aW9uIHN0YXRlIG9wdGltaXphdGlvbjwvVElUTEU+DQo8L0hFQUQ+DQo8Qk9EWT4NCjwhLS0gQ29u dmVydGVkIGZyb20gdGV4dC9wbGFpbiBmb3JtYXQgLS0+DQoNCjxQPjxGT05UIFNJWkU9Mj5EZWFy IHNpcnMsPEJSPg0KPEJSPg0KQ2FuIHlvdSBoZWxwIG1lID88QlI+DQo8QlI+DQpJIHdvdWxkIGxp a2UgdG8gY2FsY3VsYXRlIGFuZCBvcHRpbWl6ZSB0aGUgdHJhbnNpdGlvbiBzdGF0ZSBvZiBjb21w b3VuZCBpbiB0aGUgZ2F1c3N2aWV3IHNvZnR3YXJlIGFuZCBJIHVzZWQgdGhlIGZ1bnRpb246IE9Q VD0oTW9kUmVkdW5kYW50LCBUUyksIGJ1dCBleGlzdCBhbiBlcnJvci4gSG93IGNhbiBJIHJlc29s dmUgdGhpcyBwcm9ibGVtID88QlI+DQo8QlI+DQpNYW55IFRoYW5rcyw8QlI+DQo8QlI+DQpFbHNh IENvc3RhPEJSPg0KPEJSPg0KPEJSPg0KPC9GT05UPg0KPC9QPg0KDQo8L0JPRFk+DQo8L0hUTUw+ ------_=_NextPart_001_01C83B18.FF50FC62--