#of_B97-3c
! Opt
! Freq
! B97-3c SMD(Acetonitrile)

%geom
maxstep 0.1
maxiter 200
end

%scf
maxiter 1000
end

%pal
nprocs 36 
end

*xyz 0 3
Cu      -2.552888000     -1.245790500     -0.375648500
Cl      -1.678240000      0.673599000     -1.299854000
Cl      -3.721484500     -0.775701500      1.376848000
Cl      -1.502011500     -2.558359000     -1.855980500
Cu      -0.398730000     -0.661912500     -2.570622000
Cl       1.160091500     -1.343834500     -3.895505000
*


