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

%geom
maxiter 200
end

%scf
maxiter 1000
end

%pal
nprocs 36 
end

* xyz 0 3
I       -7.752879000     -2.498731000    -11.142745000
Cu      -9.167998000     -0.618739000     -7.462708000
Cl      -8.722849000     -2.732895000     -6.624174000
Cl     -10.538106000     -1.570088000     -9.134188000
Cu      -8.861865000     -3.119339000     -8.937942000
Cl     -10.182050000      1.335262000     -7.221099000
*
