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Do you have any suggestion about how I can create and run = a G09 batch file on Linux ( Fedora 13 or Mandriva 2010 power= pack). I am using a PC not a cluster.

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Thanks in advance=0A

Mehdi

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&nb= sp;

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-----------------------------------------------------------------------= ------------------------------------------------------- <= /DIV>=0A

`The ma= n who makes no mistakes does not usually make anything.'

=0A = &nb= sp; = Edward John Phelps (1822-1900)

= =0A

------------= ---------------------------------------------------------------------------= ---------------------------------------
Mehdi D. Esrafili

= =0A

Assistant Pr= ofessor of Physical Chemistry
Current address:&nb= sp;Department of Chemistry,

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Faculty of Basic Sciences,University of=

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Marghe= h, Iran.

=0A

E-mail 1: m_es= rafili:yahoo.com
E-mail 2: <= A href=3D"mailto:mesrafili:maragheh.ac.ir" target=3D_blank rel=3Dnofollow><= FONT face=3D"times new roman, new york, times, serif" color=3D#0060bf>esraf= ili:maragheh.ac.ir

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=0A=0A=0A=0A=0A=0A= =0A=0A --0-1417610999-1298104723=:81674-- From owner-chemistry@ccl.net Sat Feb 19 20:28:01 2011 From: "Eli Lam elizabeth.shlam!A!gmail.com" To: CCL Subject: CCL: Gaussian03 optimisation problems Message-Id: <-43986-110219202705-2397-ZTFeaxj2ITJ434XfiGOpww~~server.ccl.net> X-Original-From: "Eli Lam" Date: Sat, 19 Feb 2011 20:27:03 -0500 Sent to CCL by: "Eli Lam" [elizabeth.shlam() gmail.com] Hi, Recently when I do optimisation of a organometallic molecules, I've found an imaginary frequency in the optimized structure, I know it would mean that the structure is not a minima in the PES. But how should I optimise again to find the true minimum? Thanks! Eli From owner-chemistry@ccl.net Sat Feb 19 21:02:00 2011 From: "Eli Lam elizabeth.shlam%%gmail.com" To: CCL Subject: CCL:G: Absolute zero in orbital energies Message-Id: <-43987-110219202824-9751-9pM+WR8BOeLJOLKh6eneBw**server.ccl.net> X-Original-From: "Eli Lam" Date: Sat, 19 Feb 2011 20:28:23 -0500 Sent to CCL by: "Eli Lam" [elizabeth.shlam.:.gmail.com] Hi, I would like to ask about the physical meaning of the absolute zero in orbital energies calculated by gaussian03. I know the orbital energy is of relative meaning, but could I compare the orbital energies of different molecules simply by viewing their energies calculated from gaussian03? Thank you very much! Eli