From owner-chemistry@ccl.net Fri Dec 30 14:01:00 2011
From: "Johannes Poms poms|*|student.tugraz.at" <owner-chemistry|a|server.ccl.net>
To: CCL
Subject: CCL:G: Gaussian TDDFT calculations Ir(ppy)3 an Iridium complex for OLEDs
Message-Id: <-46095-111230135503-23778-CR2BFzwRdXc4iJNMGdDELQ|a|server.ccl.net>
X-Original-From: Johannes Poms <poms a student.tugraz.at>
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Date: Fri, 30 Dec 2011 19:55:06 +0100
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Sent to CCL by: Johannes Poms [poms__student.tugraz.at]

> Sent to CCL by: "Enrico  D Ortenzio" [enrico.dortenzio]^[hotmail.it]
>
>
>   *********************************************
>   Gaussian 03:  x86-Win32-G03RevB.01 3-Mar-2003
>                    30-Dec-2011
>   *********************************************
>   %chk=C:\Users\Enrico D\Desktop\Gaussian\Results\iRIDIUM OLED1.chk
>   Default route:  MaxDisk=4gb
>   -----------------------------------
>   # opt b3lyp/3-21g geom=connectivity
>   -----------------------------------

-> >   Ir                   -0.764     0.995    -1.7816

Iridium!

>   Number of steps in this run= 366 maximum allowed number of steps= 366.

Probably more steps needed
>   [snip]
>   ---------------------------------------------------------------------
>   Rotational constants (GHZ):      0.1309462      0.1155067      0.1031387

Really the end of your log file?

My logfile states:
  "Standard basis: 3-21G (6D, 7F)
  3-21G basis sets are only available up to Xe."

So you are requesting the 3-21G basis set but Iridium is not included.
Check the manual http://www.gaussian.com/g_tech/g_ur/m_basis_sets.htm

So use an appropriate basis set, preferable with an ECP. They are 
built-in or specified explicitly with the gen keyword. Do not mix pure 
and cartesian functions. Probably you will get a better geometry and 
starting point of the wavefunction. Than increase basis set size and 
level of theory of the calculation.

Good luck,
Johannes Poms