# 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      -8.219273000     -2.679754000    -13.619735000
Cl      -8.408323000     -0.569195000    -14.417913000
Cl     -10.310982000     -2.824081000    -12.896077000
Cu      -9.738057000     -0.520464000    -12.430015000
Cl      -6.268287000     -3.553110000    -13.807071000
H      -10.567836000     -0.590676000    -11.111737000
N      -10.629468000      1.573267000    -12.967706000
C      -10.188311000      1.788992000    -11.906873000
C       -9.725163000      2.224782000    -10.645385000
C      -10.356162000      3.350154000    -10.103766000
C       -9.904330000      3.890507000     -8.918207000
C       -8.832865000      3.307394000     -8.257070000
C       -8.219137000      2.168933000     -8.763423000
C       -8.663231000      1.627524000     -9.953843000
H      -11.187466000      3.785181000    -10.637450000
H      -10.385803000      4.769718000     -8.517049000
H       -8.466627000      3.735749000     -7.335509000
H       -7.397532000      1.713999000     -8.231028000
I       -7.690684000     -0.090372000    -10.687646000
*
