Secondly, the active space dependence of MC-PDFT may be larger than is comfortable in some sensitive systems. For example, previous work on H 2 dissociation has shown that the predicted dissociation energy of MC-PDFT can vary by over 10 kcal/mol increasing the active space size from a minimal (2,2) to (2,28). Nevertheless, this work has shown that cases such as this are more likely to be outliers than the norm; H 2 dissociation is a well-known failing of restricted HF and DFT, and thus the active space likely has an outsized impact on the performance of MC-PDFT in this case. The generally active-space-independent nature of APC-PDFT beyond a minimum size is further shown by recent studies calculating vertical excitation energies. Regardless of these remaining challenges, the throughput, automation, and robustness achieved here represent a milestone in applying multiconfigurational methods to main group reactivity and suggest further general-use implementations are possible. The next frontier involves extending this approach to encompass full reaction networks and larger compounds, promising a more comprehensive understanding of complex chemical processes.