From owner-chemistry@ccl.net Tue Jul 17 05:26:00 2012
From: "Javier Cerezo jcb1-*-um.es" <owner-chemistry%x%server.ccl.net>
To: CCL
Subject: CCL: GaussView Error : CConnectionGFCHK::ParseGFCHK()
Message-Id: <-47214-120717052458-25226-KTChv6AzWioYzKZ4lOnbVg%x%server.ccl.net>
X-Original-From: Javier Cerezo <jcb1#um.es>
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Date: Tue, 17 Jul 2012 11:24:52 +0200
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Sent to CCL by: Javier Cerezo [jcb1- -um.es]
It seems to be a bug in your gv version (I also have the same problem). 
The workaround I'm using is:

1) Convert your chk in fchk: formchk yourfile.chk

2) Inspect the fchk file. Near the header you have info about number of 
basis set. The problem (at least in my case) arises when "Number of 
basis functions" is not the same as "Number of independent basis 
functions". To make it work you need to edit the file making Number of 
basis functions=Number of independent basis functions.

The edited fchk file should be opened with no problems by gv.

Javier


El 17/07/12 09:48, Hyunbok Lee mutebeat!^!gmail.com escribió:
> Sent to CCL by: "Hyunbok  Lee" [mutebeat||gmail.com]
> Deal all,
>
> I opened chk file on GaussView, but it showed following error message:
>
> CConnectionGFCHK::Parse_GFCHK()
> Missing or bad data: Alpha Ortbial Energies
> Line Number 1737
>
> I think the calculation is done without a problem.
> What is the problem? and what is the meaning of this error message?
> Any advise will be appreciated.
>
> Thanks in advance.
>
> Hyunbok Lee>
>



-- 
Javier CEREZO BASTIDA
PhD Student
Physical Chemistry
Universidad de Murcia
Murcia (Spain)
Tel: (+34)868887434