# IRC with smaller step size + very low convergence criteria to prevent
# premature convergence near the TS

! PBE0 D3BJ def2-SVP def2/J RIJCOSX TightSCF defgrid3 IRC pal16

%irc
 maxiter 70
 inithess read
 hess_filename "reaction-19_qcits_freq.hess"
 Init_displ length
 Scale_init_displ 0.1
 Scale_displ_SD 0.1
 TolMaxG 1.e-6
end

%maxcore 2500

*xyzfile 0 1 reaction-19_qcits_TS.xyz