! DLPNO-CCSD(T) DKH2 DKH-def2-TZVP def2-tzvp/c CPCM(acetonitrile) RIJCOSX
%pal nprocs=24 end
%maxcore 3000 
%scf
 maxiter 300
 autotrahiter 100
end

* xyzfile 1 5 /hsnfs/users/bandeira/bento/mab18+NCMe.xyz