The (2) atomic mode is also characterized mainly by the participation of protons, (Fig. , L 2 (2) ), with the significant, but small, maximum for the N1, O3 atoms, and to some extent also C2 atom around TS. At the initial stage, H4 and H5 atoms contribute equally to (2) mode, in the similar manner as they do in (1), but there is no share of H6 here. There is striking alteration of the structure of this mode in its way to PS: at the end of the process the H6 atom will dominate (70%). The initial symmetry in the contributions from H4 and H5 atoms and unique position of H6 atom in two lowest atomic modes is in harmony with the chemical character of the formamide molecule.