The first explanation is unlikely, because Dyson orbitals were computed using correlated EOM-CCSD wave functions with the standard triple- basis augmented with 20 additional diffuse functions. To confirm that the basis set is not an issue, we carried out calculations using four different basis sets. Specifically, the aug-cc-pVTZ+5s5p5d5f results were compared with aug-cc-pVTZ, aug-cc-pVQZ, and aug-cc-pVQZ+2s2p1d1f1g basis set calculations. The latter is constructed by supplementing aug-cc-pVQZ with two s, two p, and one of each d, f, and g additional diffuse functions, with the exponents decreasing by a factor of 3. The results (Fig. )