input deck is missing gfprint
On Thu, Apr 15, 2010 at 8:03 AM, rspinney <[email protected]
> wrote:
> I was just playing with displaying MOs from a Gaussian output file (freq
> and pop=full) and get an error message:
>
>
>
> Error reading file at line 1394:
>
> DENSITY MATRIX.
>
> Null
>
> For file …..
>
> Type Gaussian
>
>
>
> So Jmol is recognizing the file type correctly but has a read error. I
> thought it might be due to using G09 so repeated the calculation using G03
> but get the same error message. I tried this with both 11.8.18 and 11.8.22
> with the same result.
>
>
>
> I just tried 12.0.RC4 which reads the file ok, but does not seem to
> associate any MO info to any of the models, but does read the vibration info
> correctly.
>
>
>
> Bob I sent you the output files off list.
>
>
>
> Thanks, Rick
>
>
>
> --------------------------------------
>
> Dr. Richard Spinney
>
> The Ohio State University
>
> Department of Chemistry
>
> 160 B Celeste Laboratory
>
> 120 West 18th Ave
>
> Columbus, Ohio 43210
>
>
>
> email: [email protected]
>
>
>
> Phone: (614) 247 - 6847
>
> Fax: (614) 292 - 1685
>
>
>
>
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------------------------------------------------------------------------------
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