Apparent bug in MP3 portion of MP4 calculation

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Gets Around

7:52:13 AM PST - Mon, Nov 30th 2015
Ok, you appear to not have spent much time thinking about how to use NWChem. CCSD(T) and CCSDT are different methods. If you want to compare NWChem CCSD(T) against GAMESS CCSD(T), you need to run CCSD(T), not CCSDT.