#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      -8.082800000     -1.143791000    -12.389358000
Cl      -8.949625000      0.160577000    -14.203110000
Cl      -9.608591000     -2.762988000    -12.848386000
Cu     -10.865720000     -0.856362000    -13.490720000
Cl      -5.991165352     -1.609413565    -12.831664184
N      -11.319650000      0.596099000    -12.137644000
C      -10.702475000      1.189473000    -11.354808000
C       -9.883058000      1.862851000    -10.435169000
C       -9.963846000      3.253356000    -10.314396000
C       -9.112657000      3.916194000     -9.451088000
C       -8.172633000      3.207040000     -8.715423000
C       -8.073375000      1.826615000     -8.830168000
C       -8.930879000      1.156925000     -9.679379000
H      -10.691756000      3.791557000    -10.901877000
H       -9.179065000      4.990037000     -9.356653000
H       -7.503305000      3.727104000     -8.045476000
H       -7.337227000      1.282281000     -8.258990000
I       -8.811447000     -0.934406000     -9.792079000
Cl     -12.810685000     -1.813727000    -13.879973000
H       -8.443770014      0.544209137    -11.723883592
B       -5.730218344     -2.213466487    -14.474809560
H       -4.790568695     -2.777253406    -14.433396865
H       -5.601823094     -1.414167929    -15.214504524
N       -6.716301109     -2.989194790    -15.366086006
H       -7.651304991     -3.190133823    -14.833270946
H       -6.295318684     -3.953197041    -15.669358329
H       -6.956139148     -2.422713523    -16.272065610
*
