Subject: Spartan sigma bond crashes

From: [email-masked] (Sarah Schofield )
Date: Tue, 14 Nov 1995 17:45:07 -0600 (CST)

Hi Netters: 
I send in this question on behalf of an organic professor here at U. Texas
who has been using Spartan to generate illustrations for his sophmore 
class.  He has a problem related to his upcoming presentation 11am Wed. 
Central US time.  A reply before 10am would be very appreciated.  
Here is the question.  Why does Spartan crash when asked for the HOMO 
of H_2?  He has tried several AM1 and ab initio basis sets.  He has also 
tried other molecules.  Whenever he gets to the point of a sigma bond 
the programs crashes.  Any advice? 
    
-----------------------------------------------------------------
Sarah Ann Schofield                [email-masked]  

Department of Chemistry and Biochemistry       (512) 471-1023  
University of Texas at Austin             fax: (512) 471-8696  
Austin, Texas 78712             
----------------------------------------------------------------- 

>From [email-masked] Tue Nov 14 06:28 EST 1995
X400-Received: by /PRMD=surf/ADMD=400net/C=nl/; Relayed;
               Tue, 14 Nov 1995 12:27:48 +0100
X400-Received: by mta relay.surfnet.nl in /PRMD=surf/ADMD=400net/C=nl/;
               Relayed; Tue, 14 Nov 1995 12:27:48 +0100
X400-Received: by /PRMD=SURF/ADMD=400NET/C=NL/; converted (ia5-text); Relayed;
               Tue, 14 Nov 1995 11:25:15 +0100
Date: Tue, 14 Nov 1995 11:25:15 +0100
X400-Originator: [email-masked]
X400-Recipients: non-disclosure:;
X400-MTS-Identifier: [/PRMD=SURF/ADMD=400NET/C=NL/;G00000E1A14NOV199510185902]
X400-Content-Type: P2-1984 (2)
Content-Identifier: Contents-Alert F
Alternate-Recipient: Allowed
From: Egbert van Wezenbeek <[email-masked]>
To: [email-masked]
Subject:  Contents-Alert Fullerenes

**************************************************************************

CONTENTS-ALERT FULLERENES: a FREE alerting service

Dear Subscribers,

Elsevier Science provides a FREE alerting service in the field of Fullerenes.
CONTENTS-ALERT FULLERENES can assist you in carrying out time-saving literature
searches on a regular basis. It is an awareness service which delivers,
PRE-PUBLICATION, through e-mail, bibliographic information (authors, titles,
journal title, volume & issue nos and publication dates) on fullerene papers
>from the following journals:
	Carbon
	Chemical Physics
	Chemical Physics Letters
	International Journal of Mass Spectrometry and Ion Processes
	Journal of Chromatography: A
	Journal of Crystal Growth 
	Journal of Molecular Structure
	Journal of Molecular Strcuture: THEOCHEM
	Journal of Physics and Chemistry of Solids
	Physica B
	Physica C
	Physics Letters A
	Solid State Communications
	Surface Science
	Synthetic Metals
	Tetrahedron Letters
	Thin Solid Films

Once every month subscribers receive an e-mail with the latest information.

CONTENTS-ALERT FULLERERES also welcomes information from Conference Organisers
to be distributed to the subscribers.

If you wish to receive this free pre-publication service, please send your
full details (Name, Institute, P.O. Box, City, Country, e-mail address and 
tel/fax numbers) to   [email-masked]   or to

Ms. Margreet Runge
Elsevier Science BV
P.O. Box 103, 1000 AC Amsterdam
The Netherlands
Fax: +31 20 485 2425

--------------------------------------------
Dr. Egbert M. van Wezenbeek
Publishing Editor
Elsevier Science BV
Chemistry & Chemical Engineering Department
P.O. Box 330                 	 
1000 AH Amsterdam          	
The Netherlands         	Phone:	(+31-20) 485 2475
[email-masked]		Fax:	(+31-20) 485 2845

Elsevier WWW server:        	http://www.elsevier.nl
Elsevier Gopher server:      	gopher.elsevier.nl
-----------------------------------------------------------------