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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