From owner-chemistry@ccl.net Thu Nov 21 11:50:01 2024
From: "Joseane Santos Almeida joseanealmeida%a%id.uff.br" <owner-chemistry * server.ccl.net>
To: CCL
Subject: CCL: Gaussian error - TDA calculation
Message-Id: <-55255-241121052441-17232-c8d8l/Bo03H63g2eX8Wdmg * server.ccl.net>
X-Original-From: "Joseane Santos Almeida" <joseanealmeida,+,id.uff.br>
Date: Thu, 21 Nov 2024 05:24:34 -0500


Sent to CCL by: "Joseane Santos Almeida" [joseanealmeida~!~id.uff.br]
Hello, everyone

It is my first time doing TDA calculations and I got this warning:
 Warning!!: The largest alpha MO coefficient is  0.13799188D+03

My system is a Iron complex and the TD calculation converged in the end. 
However, I did not understand if I should worry about it. The basis set I am 
using is 6-311+g(d,p). 

Please, Could someone explain it to me?

SANTOS ALMEIDA, Joseane. <joseanealmeida a id.uff.br>