#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      -8.066428000     -1.141840000    -12.367383000
Cl      -8.931835000      0.100239000    -14.199455000
Cl      -9.550712000     -2.833935000    -12.720504000
Cu     -10.849236000     -0.931276000    -13.350664000
Cl      -6.060775000     -0.273331000    -12.162337000
N      -11.343335000      0.540151000    -12.040859000
C      -10.712371000      1.144260000    -11.276484000
C       -9.876317000      1.842515000    -10.388718000
C       -9.975946000      3.233783000    -10.287387000
C       -9.115811000      3.924157000     -9.454931000
C       -8.148544000      3.241504000     -8.730695000
C       -8.031597000      1.860833000     -8.826065000
C       -8.896469000      1.163969000     -9.645285000
H      -10.726631000      3.751262000    -10.865038000
H       -9.197407000      4.998247000     -9.375351000
H       -7.471832000      3.782210000     -8.084715000
H       -7.274060000      1.337198000     -8.263465000
I       -8.746061000     -0.928557000     -9.734440000
Cl     -13.099437526     -1.672423901    -14.445831970
*
