From owner-chemistry@ccl.net Thu Feb 8 21:16:00 2007 From: "neeraj misra misraneeraj###gmail.com" To: CCL Subject: CCL:G: ERROR in running gaussian Message-Id: <-33567-070208192944-12345-WS5oSwDEm5oVnQ30WBzhUw,server.ccl.net> X-Original-From: "neeraj misra" Date: Thu, 8 Feb 2007 15:33:45 -0800 Sent to CCL by: "neeraj misra" [misraneeraj(0)gmail.com] I AM REPEATEDLY GETTING AN ERROR FOR THE FOLLOWING STRUCTURE WHOSE INPUT FILE I AM SENDING AS AN ATTACHMENT.THE GAUSSIAN PROCESSING SIMPLY CANNOT PROCEDD AFTER A FEW SECONDS.PLEASE HELP ME IN LOCATING THE ERROR. The Gaussian input file can be looked at: http://www.ccl.net/temp/TAN2OPTAMP1-inp.txt while the PDB file at: http://www.ccl.net/temp/TAN2-PDB.txt -- neeraj misra ab initio research lab department of physics lucknow university 226006 india