From owner-chemistry@ccl.net Tue Nov 7 23:38:01 2023 From: "shivi Gupta shivigupta216[A]gmail.com" To: CCL Subject: CCL: How to generate .47 file for NBO analysis in orca-5.0.3 Message-Id: <-55030-231107024230-22353-Ovk+MVqsl0l6ZmSugkDIhw^-^server.ccl.net> X-Original-From: "shivi Gupta" Date: Tue, 7 Nov 2023 02:42:29 -0500 Sent to CCL by: "shivi Gupta" [shivigupta216#%#gmail.com] Dear CCL Members, I hope this email finds you well. I am writing to seek assistance in generating a .47 file for NBO (Natural Bond Orbital) analysis using ORCA 5.0.3 and understanding how to use this file with the gennbo tool. I am encountering difficulties in this process and would appreciate your guidance. Thank you for your time and support. Sincerely, Shivangi