I am trying to run a geometry optimisation and frequency calculation using Gaussian and I get the following error:
Problem with coordinate system.
Error termination via Lnk1e in /opt/gaussian03/g03/l103.exe at Wed Feb 5 16:49:25 2014.
Does anyone have an idea of what this means and how to solve it?
My input file can be found as an attachment.
Hello! Zaouris
I have been found the error in internal coordinates of your Gaussian Input file. GaussView program have HELPful to encounter and resolve these kinds of issues.
Thanks
I had similar problems concerning transition state optimization and solved using:
OPT=(TS,READFC,NOEIGENTEST,CARTESIAN) Geom=(CheckPoint, NewDefinition) Guess=Read symmetry=none
Note that you don't need to specify the coordinates since they are taken from the checkpoint file.
Good luck!
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