From owner-chemistry@ccl.net Mon Dec 13 07:34:01 2010 From: "Justin Finnerty justin.finnerty~!~uni-oldenburg.de" To: CCL Subject: CCL:G: Problem in Guassian freq calculation Message-Id: <-43363-101213070346-13601-L1U5r0UD2KXMMwXAru7CAQ],[server.ccl.net> X-Original-From: Justin Finnerty Content-Transfer-Encoding: 7bit Content-Type: text/plain Date: Mon, 13 Dec 2010 13:03:36 +0100 Mime-Version: 1.0 Sent to CCL by: Justin Finnerty [justin.finnerty=-=uni-oldenburg.de] Dear Vijay, > Internal consistency error detected in FileIO for unit 1 I= 7 J= 0 IFail= 1. > > > dumping /fiocom/, unit = 1 NFiles = 88 SizExt = 32768 WInBlk = 512 > defal = F LstWrd = -1962280960 FType=2 FMxFil=10000 Gaussian errors like this indicate missing information in your input or checkpoint file. > --------------------------------------------------------------- > # freq=noraman cphf=noread b3lyp/6-311+g(d,p) geom=connectivity > --------------------------------------------------------------- In this case I am guessing it is because you specify "geom=connectivity" but have not put a connectivity section in your input, you only put the geometry. Now you may say "it has worked before!" and I say "welcome to the wonderful world of gaussian input files!". I say this because the connectivity section of an input file can be *empty* and gaussian will detect this depending on the number of empty lines after the geometry! So simply adding a few blank lines to the end of your input file can be the difference between a failed or successful calculation.