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*** ERROR, ILLEGAL POINT GROUP=D6H CHOSEN. In Coronene molecule

Siddheshwar Chopra
sidhusai@gmail.com


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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