Dear Sir, This is in regard to the error message "*** ERROR, ILLEGAL POINT GROUP=D6H CHOSEN." when I try to run calculations for the Coronene molecule. As suggested by the website: http://astrochemistry.ca.astro.it/database/coronene/coronene_gen.html, I was trying to optimize the Coronene with D6h Symmetry. But I get this error. Please help. I can use C1 symmetry, but I want the calculations to be faster, so I want the actual symmetry to be used here.
Regards,
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Wed Dec 19 '12 12:14pm
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