Two neighboring capping groups are merged to form a socalled concap fragment (c 1 -c 2 in step 2) to remove the double counting introduced by the capping. Hydrogens shown as "Hc" mark where heavier atoms have been replaced by hydrogens. Here the direction of the bond is maintained, but the bond length is scaled, e.g., to 1.09 Å and 1.01 Å for C-H and Fragmentation N-H, respectively. Distributed/localized properties (e.g., multipoles and polarizabilities) are then calculated for the individual capped fragments and concaps (step 3). For F capped fragments and C concaps, a property P a centered on an atom a is calculated as