From owner-chemistry@ccl.net Thu Feb 13 01:19:01 2025
From: "Muhammed Buyuktemiz mbtemiz3!^!gmail.com" <owner-chemistry#%#server.ccl.net>
To: CCL
Subject: CCL: Is there a tool to transfer Active Space from one complex to another
Message-Id: <-55290-250213011711-11822-/JfyXly3izeHuSu+D+8JXA#%#server.ccl.net>
X-Original-From: "Muhammed  Buyuktemiz" <mbtemiz3],[gmail.com>
Date: Thu, 13 Feb 2025 01:17:10 -0500


Sent to CCL by: "Muhammed  Buyuktemiz" [mbtemiz3_._gmail.com]
Hi, 

I am trying to study couple of metal-oxo complexes with CASSCF. Most of my structures resemble each other with minor changes on the substituents of the ligand framework. Designing the same active space from the start for each complex is quite tedious as you might guess. Since structural changes dont affect my active space (i.e ligand is not included in the AS) I am wondering if there is a tool to transfer the AS from one complex to another. Any suggestions on how to achieve this also quite welcomed. 

Bests,
Muhammed.