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  • (cur | prev) 17:02, 9 December 2016Sfux (talk | contribs). . (2,166 bytes) (+2,166). . (Created page with "As an example for a Molpro job, we will perform a CCSD(T) calculation for a water molecule, using a quadruple-zeta basis set. We are using 4 cores for the calculation. For thi...")