From owner-chemistry@ccl.net Thu Nov 10 15:51:00 2011 From: "Jakub Lang jakub.lang,gmail.com" To: CCL Subject: CCL:G: Gaussian CASSCF configurations list Message-Id: <-45869-111110134628-31968-ATFRtM6U9SIKoNCZnEShYQ=-=server.ccl.net> X-Original-From: "Jakub Lang" Date: Thu, 10 Nov 2011 13:46:23 -0500 Sent to CCL by: "Jakub Lang" [jakub.lang*gmail.com] Hi does anybody know a keyword to print out the list of the configurations in G03/G09? I have an eigenvalue for each config. but i dont know how configs look like. I want to do a BWCC calculation but to do that i need to know most important configs. My input to Gauss. #P CAS(16,12)/6-311G(d) Pop=full NoSymm Z-MAT etc. Best Regards Jakub Lang, Charles Uni Prague jakub[dot]lang[at]gmail[dot]com