# neb ts search

! NEB-TS 
! Freq 
! B97-3c SMD(Acetonitrile)

%pal
	nprocs 36
end

%NEB 
	NEB_END_XYZFILE "/mnt/irongiant/users/home/fmg/lbrandon/mechano/ORCA/orca6.0/B97-3c/products_TS-0.5.xyz" 
	PREOPT_ENDS TRUE
END

* XYZFILE 0 3 /mnt/irongiant/users/home/fmg/lbrandon/mechano/ORCA/orca6.0/B97-3c/reactants_TS-0.5.xyz 


