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Topic: Geometry Optimization of oxi-methylphenantrene using DFT in GAMESS  (Read 4847 times)

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Offline Orcio_87

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Re: Geometry Optimization of oxi-methylphenantrene using DFT in GAMESS
« Reply #15 on: May 17, 2021, 07:30:39 PM »
I think that optimalization of geometry could also be omitted, as initial geometry looks good enough.

I mean - optimization is waste of time if you need only IR spectra.
« Last Edit: May 17, 2021, 08:22:40 PM by Orcio_Dojek »
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