# set convergence RMSG to very low to prevent convergence at TS
# maxiter set to low, does not need to fully converge, smaller step
# sizes to avoid energy increase near the TS

! PBE0 D3BJ def2-SVP def2/J RIJCOSX TightSCF defgrid3 IRC pal8

%irc
 maxiter 100
 inithess read
 hess_filename "reaction-9-ieip_irc.hess"
 Init_Displ length
 Scale_Init_Displ 0.1
 Scale_Displ_SD 0.1
 TolRMSG 1.e-6
end 

%maxcore 4000

*xyzfile 0 1 reaction-9-ieip-optts.xyz