#P Becke3LYP/6-31G(d) scf=(tight) opt=(Z-Matrix,tight) Becke3LYP/6-31G(d) opt min ammonium cation +1 1 H1 N2 1 r3 H3 2 r3 1 a3 H4 2 r3 1 a3 3 +120. H5 2 r3 1 a3 3 -120. r3=1.02943891 a3=109.47228211