CCL: How to generate .47 file for NBO analysis in orca-5.0.3
- From: "shivi Gupta"
<shivigupta216*o*gmail.com>
- Subject: CCL: How to generate .47 file for NBO analysis in
orca-5.0.3
- 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