[Gausssum-help] problem parsing a file

[Larsen, R. <Ros...@nr...>]

Hello,

I have just installed GaussSum and I am trying to evaluate the PDOS from a log file that is the output from a Gaussian 09 calculation with the following input (using an optimized geometry and guess from a previous run):


#P b3lyp/6-31g(d) geom=check guess=check pop=full iop(3/33=1,3/36=-1)


When I try to open the output file I get the error message:


"Problems parsing the logfile:


cclib has problems parsing file.log.

If you think it shouldn't, please send and email...."


Any suggestions on what I should do to troubleshoot this? Thanks,


Ross

--
Ross Larsen
Computational Science Center
National Renewable Energy Laboratory
(303)275-4422 | Ros...@nr... (email preferred)