We note that while each of the four alternative algorithms resulted in some of the structures failing to converge, we do not consider this to be an appropriate metric for comparison, as the molecules in the test set were specifically chosen to be those that converge in Sella with its default parameters. Consequently, any structures that would It is common in computational studies of molecules to perform scans over specific internal coordinates. These scans are a series of constrained optimizations, which are straightforward when the goal is to minimize the energy with respect to the unconstrained degrees of freedom, e.g., when the scan is done on a minimum energy structure.