#P HF/6-31G(d) opt=Z-Matrix H2 + H rad substitution ts, HF/6-31G(d) pulling r4 0 2 H1 X2 1 1.0 H3 1 r3 2 90.0 H4 1 r4 2 90.0 3 180.0 r3=0.729971 r4=3.491454 S 27 -0.1