From owner-chemistry@ccl.net Fri Dec 30 08:12:00 2011 From: "Johannes Poms poms[]student.tugraz.at" To: CCL Subject: CCL:G: Gaussian TDDFT calculations Ir(ppy)3 an Iridium complex for OLEDs Message-Id: <-46091-111230062642-25890-rXdqdtMnKkLZzJg9IdbP4A[-]server.ccl.net> X-Original-From: Johannes Poms Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-15; format=flowed Date: Fri, 30 Dec 2011 12:26:50 +0100 MIME-Version: 1.0 Sent to CCL by: Johannes Poms [poms|student.tugraz.at] > Sent to CCL by: "Enrico D Ortenzio" [enrico.dortenzio/a\hotmail.it] > Hello, > i'm new in computational chemistry and i'm learning to use Gaussian03. > For simplest calculations, i.e for smallest molecules, there is no problem... > but when I try to do TDDFT calculations on bigger molecules such as > poly(p-phenylene vinylene)or Iridium complexes such as Ir(ppy)3 i get > the following error: > > severe error message 2070 > Post your full input/error log Normally this is just the generic error message "Severe error message #2070 The processing of the last link ended abnormally. All processing has been aborted." So the actual error is in the link before this message! And the next time please post your request just once best Johannes