From owner-chemistry@ccl.net Mon Jan 21 17:57:01 2013
From: "Leonardo Viana Lima leonardovc.lima],[gmail.com" <owner-chemistry*server.ccl.net>
To: CCL
Subject: CCL:G: Problem with Hindered Rotor analysis in Gaussian 09
Message-Id: <-48104-130121175554-6780-tQhlV0G4U8YjCAzABbsooA*server.ccl.net>
X-Original-From: "Leonardo Viana Lima" <leonardovc.lima{=}gmail.com>
Date: Mon, 21 Jan 2013 17:55:53 -0500


Sent to CCL by: "Leonardo Viana Lima" [leonardovc.lima{:}gmail.com]
Dear CLL members,

I was trying to run some opt freq(HinderedRotor) calculations with Gaussian 03 
but in almost every job ended up with the same error: "Problem with the number 
of degrees of freedom".

Searching for some solution I found some people suggesting , even in CCL, to 
run this calculation with Gaussian 09, so I fortunately got access to G09 and 
run my opt freq(HinderedRotor) calculations. In fact almost every job end just 
fine using G09 but some of them end up with the same error I faced before.

I got the problem solved just reordering the Z-matrix (changing the order of 
the atoms getting the atoms involved in the internal rotations in sequence) 
after a opt calculations and then submitting the freq(HinderedRotor) job, 
unfortunately few molecule still ending up with the same error "Problem with 
the number of degrees of freedom".

Does anyone knows any possible solution for this or why this happened?

Thanks in advance!
Leonardo.
Chemistry graduation student.
leonardovc.lima()gmail.com