From chemistry-request #at# ccl.net Thu Jan 13 00:27:30 2005 Received: from smtp110.mail.sc5.yahoo.com (smtp110.mail.sc5.yahoo.com [66.163.170.8]) by server.ccl.net (8.12.8/8.12.8) with SMTP id j0D5RTg5005179 for ; Thu, 13 Jan 2005 00:27:29 -0500 Received: from unknown (HELO yahoo.com.cn) (yanliangren?2002 {*at*} 61.183.207.52 with plain) by smtp110.mail.sc5.yahoo.com with SMTP; 13 Jan 2005 05:27:27 -0000 Message-ID: <41E604EB.6080101$at$yahoo.com.cn> Date: Thu, 13 Jan 2005 13:19:39 +0800 From: yanliangren_2002 User-Agent: Mozilla/5.0 (X11; U; Linux i686; zh-CN; rv:1.2.1) Gecko/20030225 X-Accept-Language: zh-cn,zh MIME-Version: 1.0 To: chemistry$at$ccl.net Subject: How to get z-matrix coordination in chk file Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Spam-Status: No, hits=3.1 required=7.5 tests=BAD_YAHOOMSGID, FROM_ENDS_IN_NUMS,RCVD_IN_SORBS autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Hi, everybody: How are u, I meet one problem, I want to read the z-matrix form geom coordination from .chk file when I do --Link1-- calculations, who can give me some advice? For instance, the first step I do opt for one molecular and then I want do freq calculations(I didn`t want to do OPT and FREQ by using together opt and freq) by --Link1-- keyword for which I must read the optmized in first step, and in this step I want to read the z-matrix form coordinates other than cartesian form from .chk file, and how we should to do? In addition to, I mainly intend to do it by setting in gaussian input file. Thanks best wish to u!