From owner-chemistry@ccl.net Tue Feb 16 02:28:01 2021
From: "Lu s Sobral lsobral^_^hovione.com" <owner-chemistry_+_server.ccl.net>
To: CCL
Subject: CCL:G: Error on total polarization charges
Message-Id: <-54279-210216022533-30649-pOeIlBCNyuXqUn7PUXLjkw_+_server.ccl.net>
X-Original-From: "Lu  s  Sobral" <lsobral**hovione.com>
Date: Tue, 16 Feb 2021 02:25:31 -0500


Sent to CCL by: "Lu  s  Sobral" [lsobral,,hovione.com]
During optimization PCM (IEFPCM) solvent calculations of a molecule whose 
geometry was previously optimized in the gas phase, the error on total 
polarizations charges repeatedly came up in the output file. The calculations 
are being performed at the B3LYP/6-31G(d) level of theory, with the software 
Gaussian 16. Can someone give suggestions on how to overcome this error?