! B3LYP D3BJ TightOpt Freq def2-TZVPP def2/J RIJCOSX VeryTightSCF defgrid3
%maxcore 3200

%pal nprocs 8 
end

%scf HFTyp UKS
end

%geom
	Calc_Hess true
	Recalc_Hess 20
	maxIter 200
	maxStep 0.2
end

*xyzfile -1 1 PFPeS_P3A_S_Reactant.xyz