# of_B97-3c 

! TightOpt
! Freq
! B97-3c SMD(Acetonitrile)

%geom
maxstep 0.1
maxiter 200
end

%scf
maxiter 1000
end

%pal
nprocs 36 
end

* xyz 0 3
Cu      -7.868082000     -2.929624000    -13.410858000
Cl      -7.849368000     -1.099605000    -14.800989000
Cl      -9.873616000     -2.607260000    -12.437328000
Cu      -9.241457000     -0.401052000    -13.122281000
Cl      -6.194515000     -4.433040000    -13.717884000
H      -11.764107000      2.227303000    -11.897007000
N      -10.453792000      0.902060000    -12.631296000
C      -10.785748000      1.747664000    -11.765790000
C      -10.058059000      2.214437000    -10.581663000
C      -10.723006000      3.165656000     -9.793590000
C      -10.153438000      3.683207000     -8.646835000
C       -8.889930000      3.260430000     -8.259047000
C       -8.204455000      2.322140000     -9.018864000
C       -8.782732000      1.806054000    -10.167951000
H      -11.708144000      3.491255000    -10.101406000
H      -10.692094000      4.413258000     -8.058277000
H       -8.426717000      3.655632000     -7.364981000
H       -7.219913000      1.999041000     -8.712336000
I       -7.581242000      0.404408000    -11.208059000
*
