| 1:33:46 PM PST - Tue, Nov 29th 2016 |
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While in general CCSD(T) upon DFT is not a well-defined theory, in this particular case that is not the problem because the requested XC function is simply the HF exchange, making the DFT calculation exactly equivalent to the HF calculation. The much bigger issue here is that CCSD(T) with a reference wave function with fractional occupation numbers is not a well-defined theory regardless of whether you are using DFT or HF.
If you remove the fon keyword from your input, your calculation will run without issue.
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