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Topic Title: big molecules - error in spectra + gaussian
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Created On: 10/10/2009 12:22 AM
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 10/10/2009 12:22 AM
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Joined: 10/8/2009

In chembio 3d when I try to get the spectrum (UV/Vis for example) with Gaussian regarding large molecules (for example beta-carotene) it errors out at some point. I'm using the default settings (Method: HF, Basis set 6-31G, Wave function: R-closed shell). Is there a way to get an approximation of the spectrum or not? Thanks in advance

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