From owner-chemistry@ccl.net Fri Sep 5 12:20:01 2014 From: "Abrash, Samuel sabrash{=}richmond.edu" To: CCL Subject: CCL:G: G09 Keyword: Freq Message-Id: <-50479-140905114601-12704-UpOvAv3pUx4OZIgXcZ0gZg~!~server.ccl.net> X-Original-From: "Abrash, Samuel" Content-Language: en-US Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset="us-ascii" Date: Fri, 5 Sep 2014 15:45:54 +0000 MIME-Version: 1.0 Sent to CCL by: "Abrash, Samuel" [sabrash]_[richmond.edu] Could you show your full command line? -----Original Message----- > From: owner-chemistry+sabrash==richmond.edu!=!ccl.net [mailto:owner-chemistry+sabrash==richmond.edu!=!ccl.net] On Behalf Of Andy Wong andy.wong%a%monash.edu Sent: Friday, September 05, 2014 9:10 AM To: Abrash, Samuel Subject: CCL:G: G09 Keyword: Freq Sent to CCL by: "Andy Wong" [andy.wong[-]monash.edu] I am trying to use the Freq=(anharmonic,readanharm) keyword with the command PT2Model=GVPT2 in Gaussian 09. However the log file says that this is not a recognised command. Any help is appreciated. Regards Andy Wong andy.wong\a/monash.eduhttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt