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

%irc
 maxiter 600
 inithess read
 hess_filename "reaction-29_qcits_freq.hess"
 DE_Init_Displ 1.0
end

%maxcore 2000

*xyzfile 0 1 reaction-29_qcits_TS.xyz