molec4 conformers by CAM-B3LYP-D3p3p: conformer dihedral E deg meV trans 0 g gauche d0 296 23 g1 gauche d1 296 25 s saddle d0 240 126 sH saddle dH 180 126 c cis d0 0 232 h hairpin 102 *Dihedrals: d0=[7,10,13,16], d1=[1,4,7,10], dH=[25,1,4,7] Detailed analysis of chain-length dependence of hairpin vs trans conformer energies is given in Refs.[Byrd14,Zhugayevych18]