From chemistry-request@ccl.net Wed Aug 5 13:08:43 1992 Date: Wed, 5 Aug 92 10:48:45 -0400 From: friedman@tammy.harvard.edu (Dawn Friedman) To: chemistry@ccl.net Subject: just one more thing... Status: R Ah, yes. In my previous G90 reply summary, I left out one question: If I do go to MCSCF, what becomes of the simple orbital picture I'm trying to substantiate? Is it possible for me to say whether the odd electron is in a pi or a sigma orbital? Is there a projection I can do over the determinants? --Dawn --- Administrivia: This message is automatically appended by the mail exploder. CHEMISTRY@ccl.net --- everybody; CHEMISTRY-REQUEST@ccl.net --- coordinator only OSCPOST@ccl.net : send something from chemistry; FTP: www.ccl.net ---