Subject: Re: CCL:Spartan sigma bond crashes

From: "Wayne Huang" <[email-masked]>
Date: Wed, 15 Nov 1995 09:30:09 -0800

On Nov 14,  5:45pm, Sarah Schofield wrote:
> Subject: CCL:Spartan sigma bond crashes
> 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]

Regarding your question:

Hard to image any MO program would crash on H_2 HOMO calculation. I have
tried both AM1 and 3-21G which gave expected HOMO pictures. I could not
reproduce your "crash". Please contact [email-masked] with more
specific details of your calculation.

Thanks!

--Wayne
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