From owner-chemistry- at -ccl.net Tue Oct 23 16:48:01 2007
From: "Alexandre Carli Freitas acf##quimica.ufpr.br" <owner-chemistry!=!server.ccl.net>
To: CCL
Subject: CCL: Thermochemistry at GAMESS
Message-Id: <-35460-071023151013-2674-nI48yTErbUYtcbcbbuPJcQ!=!server.ccl.net>
X-Original-From: "Alexandre Carli  Freitas" <acf(a)quimica.ufpr.br>
Date: Tue, 23 Oct 2007 15:10:09 -0400


Sent to CCL by: "Alexandre Carli  Freitas" [acf%x%quimica.ufpr.br]
Hello. I'm working whit vibrational analisys at GAMESS, and I'd like to get thermochemical data at several temperatures in the same calculation. When I use the keyword TEMP= in the $FORCE group, I get these data for one temperature only. If I try to use the same keyword more than once, for more than one value, the program prints back thermochemistry only for the last one. Have somebody already successfully done this kind of calculation? Thank you