Figure depicts a full 360°scan of a dihedral angle of a 5-exo-tet cyclization reaction saddle point. The geometry of the saddle point and relative potential energy of the dihedral scan is shown in figure . The orange-highlighted bonds in figure indicate the dihedral angle that is being scanned, which includes several atoms involved in the reaction corresponding to this saddle point. This scan reveals that the structure found by Sella (the structure at zero degrees) is not the lowest-energy conformer for this reaction. This is not surprising, as our saddle point optimization algorithm tends to converge to the saddle point that is geometrically closest to the initial structure, and this may not be the lowest energy conformer.