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

%geom
maxiter 200
end

%scf
maxiter 1000
end

%pal
nprocs 36 
end

* xyz 0 3
Cu      -8.858690000     -1.274350000    -11.299766000
Cl      -8.536790000      0.342591000    -13.021507000
Cl     -10.905073000     -1.937823000    -11.930287000
Cu     -10.840590000      0.325112000    -13.201734000
Cl      -6.796783000     -1.848310000    -10.806349000
N      -11.509032000      1.203580000    -11.639725000
C      -11.072801000      1.890419000    -10.671868000
C       -9.697234000      2.351896000    -10.486155000
C       -9.272910000      3.541388000    -11.060779000
C       -8.000044000      4.018833000    -10.791861000
C       -7.153444000      3.317305000     -9.943799000
C       -7.564361000      2.124563000     -9.367709000
C       -8.838809000      1.662917000     -9.638907000
H       -9.945230000      4.086135000    -11.708483000
H       -7.673233000      4.945015000    -11.242449000
H       -6.163876000      3.693936000     -9.730291000
H       -6.906183000      1.564546000     -8.721488000
I       -9.468453000     -0.188857000     -8.855207000
Cl     -11.538975000     -0.002783000    -15.235214000
H      -12.505586000      0.977577000    -11.514543000
H      -11.766553000      2.183001000     -9.882253000
*
