We now turn to the discrepancy between the predicted ezDyson curves and the experimental trends. Due to the similarity of the () curves for each of the X 3 Σ  , a 1 , and b 1 Σ  neutral states, the calculations discussed in the remainder of this section will focus on the X 3 Σ  state. Unless indicated otherwise, we focus our discussion on the EOM-IP Dyson orbitals computed with the aug-cc-pVTZ+5s5p5d5f basis set.