Diffuse Basis set error

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Quote:Btam125 Mar 25th 4:09 am
Thank you. Now it is working. Can I ask one more question? Is there any reason that aug-cc-pVDZ doesn't work with DFT calculation but work with HF and MP2?

I am not able to reproduce any DFT failure with the geometry you reported and the aug-cc-pVDZ basis set.
Could you post the input and output files your got?


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