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CAM-B3LYP

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Forum >> NWChem's corner >> General Topics >> CAM-B3LYP

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6:08:02 PM PDT - Mon, Oct 24th 2011
Hi Pablo,

Gaussian could be using different default parameters for CAM-B3LYP. Our parameters are given in the documentation.

If you know how CAM-B3LYP is defined in Gaussian 09, you should be able to reproduce those results with NWChem.

Best,
-Niri


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