! DLPNO-CCSD(T) DKH2 DKH-def2-TZVP def2-tzvp/c CPCM(acetonitrile) RIJCOSX noautostart
%pal nprocs=24 end
%maxcore 6000 

%scf
 maxiter 300
 autotrahiter 100
end

* xyzfile -1 3 /hsnfs/users/bandeira/bento/mab18-NCMe+Cl-2e.xyz