From owner-chemistry@ccl.net Wed Jan 25 05:50:00 2006
From: "Joop van Lenthe joop[A]chem.uu.nl" <owner-chemistry||server.ccl.net>
To: CCL
Subject: CCL:G: comparable software to Gaussian
Message-Id: <-30616-060125052012-17079-+PuBWMeW6n3BXZDYsiUzyw||server.ccl.net>
X-Original-From: Joop van Lenthe <joop]-[chem.uu.nl>
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Date: Wed, 25 Jan 2006 10:18:00 +0100
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Sent to CCL by: Joop van Lenthe [joop{}chem.uu.nl]
GAMESS-UK (http://www.cfs.dl.ac.uk) is available, though it might be  
difficult to spend so much money on it (:))
There is a graphical interface; though not as smooth yet;
GAMESS-US is also possible; MOLDEN can handle both (aLso GAUSSIAN)
Joop

On Jan 25, 2006, at 2:04, H J Fan hjfan(_)pvamu.edu wrote:

> Sent to CCL by: "H J Fan" [hjfan||pvamu.edu]
> Hi, I once was a fan of Gaussian. Due to recent headache of License  
> terms and extra long delay from Gaussian, I am seeking the advice on  
> comparable software that I can purchase to do the similar calculations  
> with a decent graphic interface.
>
> I am aware of free GAMESS but it lacks of graphic interface. Does  
> MWCHEM have an interface? From Gaussian website, it has a price tag  
> about 7,000 total for site license of both Gaussian and GView  
> together. With that price, what kind of software can I buy? even  
> better with site license though not necessary.
>
> Not to offend other Gaussian fan, here is the story: Gaussian  
> basically reject my purchase order because there are some typical  
> words on the back of the purchase order, called terms. They want my  
> school to sign a blank agreement about license terms, and I am sure  
> that freaks out my officials since normally, when they put in an  
> order, nobody makes such a big fuss about what's written behind the  
> purchase order, since the terms behind has no conflict with whatever  
> the company wants. With this blank term asked by Gaussian, my purchase  
> order has been stuck somewhere since Nov 26, last year. Unlike  
> Spartan, once I scan the order to them, I got the software two days  
> later, no questions asked. And I can assure everyone out there, I have  
> no intention to do anything illegal about Spartan with or without  
> terms behind the purchase order.
>
> Remembered a big hot discussion about Gaussian not so far ago. SIGH...  
> I really should have listened. So I am looking for advice on the  
> softare to spend this 7,000, probably more. Thanks in advance.> To recover the email address of the author of the message, please  
> change>
> Search Messages: http://www.ccl.net/htdig  (login: ccl, Password:  
> search)>
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>
=========================================
Joop van Lenthe
Theoretical Chemistry Group
Debye Institute,  Utrecht University
Padualaan 8 3584 CH Utrecht
-31-30-2532733
joop++chem.uu.nl
=========================================