From owner-chemistry@ccl.net Wed Feb 27 16:34:01 2008
From: "Nihan Aldis naldis/./gmail.com" <owner-chemistry*server.ccl.net>
To: CCL
Subject: CCL:G: Gaussian excited state calculation error
Message-Id: <-36377-080227163227-6539-gJADWNu+w7lV7UmDzyF2rQ*server.ccl.net>
X-Original-From: "Nihan  Aldis" <naldis#%#gmail.com>
Date: Wed, 27 Feb 2008 16:32:23 -0500


Sent to CCL by: "Nihan  Aldis" [naldis(!)gmail.com]
Hi
I am trying to run a TD-DFT job using gaussian 03, and I got the following error.
my command line is:   #p TD-B3LYP/6-31G* opt gfinput iop(6/7=3)


 WARNING| EIGENVALUE 11 TOO LARGE. REPLACED BY    25.000000
 WARNING| EIGENVALUE 10 TOO LARGE. REPLACED BY    25.000000
 WARNING| EIGENVALUE  9 TOO LARGE. REPLACED BY    25.000000
 WARNING| EIGENVALUE  8 TOO LARGE. REPLACED BY    25.000000
 WARNING| EIGENVALUE  7 TOO LARGE. REPLACED BY    25.000000
 WARNING| EIGENVALUE  6 TOO LARGE. REPLACED BY    25.000000
 WARNING| EIGENVALUE  5 TOO LARGE. REPLACED BY    25.000000
 WARNING| EIGENVALUE  4 TOO LARGE. REPLACED BY    25.000000
 WARNING| EIGENVALUE  3 TOO LARGE. REPLACED BY    25.000000
 HESSIAN DOES NOT HAVE THE DESIRED LOCAL STRUCTURE
 TAKING SIMPLE RFO STEP
 SEARCHING FOR LAMDA THAT MINIMIZES ALONG ALL MODES


 *****************************************
 *** UNABLE TO DETERMINE LAMDA IN FmD114 **
 *****************************************


 Error termination via Lnk1e in /usr/local/g03C02_testing/g03/l114.exe at Wed Feb 27 07:15:22 2008.
 Job cpu time:  0 days 15 hours 43 minutes 57.3 seconds.


Does anyone know how to resolve this error or give suggestions?

Thanks