In this work, we have conducted such conformational sampling with AutoMeKin package , with some modifications to ensure an efficient and complete as possible search. We note that a reliable screening is essential to reduce as much as possible to the computation of vibrational frequencies for the clusters, which consume most of the computational time and represent by far the computational bottleneck of the entire procedure. The specific strategy employed to minimize the computational cost of conformational exploration is described in detail in the SI (Section B).