Sent to CCL by: "m gh" [mahnaz271163(~)yahoo.com] I want to get the SCF energy of a molecule. I have the X-ray structure of the molecule, so I do not wnat to optimize the structure. How can I get the SCf energy? -= This is automatically added to each message by the mailing script =- E-mail to subscribers: CHEMISTRY~~ccl.net or use: http://www.ccl.net/cgi-bin/ccl/send_ccl_message E-mail to administrators: CHEMISTRY-REQUEST~~ccl.net or use http://www.ccl.net/cgi-bin/ccl/send_ccl_message Subscribe/Unsubscribe: http://www.ccl.net/chemistry/sub_unsub.shtml Before posting, check wait time at: http://www.ccl.net Job: http://www.ccl.net/jobs Conferences: http://server.ccl.net/chemistry/announcements/conferences/ Search Messages: http://www.ccl.net/chemistry/searchccl/index.shtml http://www.ccl.net/spammers.txt RTFI: http://www.ccl.net/chemistry/aboutccl/instructions/