The program will then locate the transition structure connecting the reactants and products closest to the specified initial geometry. It differs from the operation of the Scan keyword in that a constrained geometry optimization is performed at each point. If you are forming a bond whose length is to be 1. For example, the following input is appropriate for a potential energy surface scan involving the N1-N2-N3-N4 dihedral angle:. If at least 3 such pairs are found, then no angles or dihedrals involving both fragments are added.
nest...