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

%geom
	maxiter 200
end

%scf
        maxiter 1000
end

%pal
nprocs 36
end

*xyz 0 5
  Cu    -4.087873   -4.369449   -0.686216
  Cl    -3.651503   -1.293120    1.694146
  Cl    -2.929058   -4.755973    1.295211
  Cl    -2.687929   -2.704781   -1.371203
  Cu    -4.442925   -1.536662   -0.476021
  Cl    -6.213085   -0.149862   -0.348179
  Cl    -5.884738   -3.197412   -1.746540
  Cu    -7.242506   -2.258505   -0.056782
  Cl    -9.434358   -2.432565   -0.160251
  Cl    -6.705211   -3.053734    2.019944
  Cu    -4.445476   -3.353574    2.403580
  Cl    -4.646218   -4.395273    4.372688
  N     -5.284383   -5.878429   -0.376134
  C     -6.220038   -6.146459    0.253396
  C     -7.379234   -6.416644    0.988823
  C     -8.623389   -6.198253    0.391331
  C     -7.317234   -6.824592    2.336006
  C     -9.776600   -6.385919    1.130940
  C     -8.475021   -7.008517    3.068907
  C     -9.702214   -6.791484    2.456316
  H     -8.660140   -5.871893   -0.635940
  I     -5.479278   -7.152078    3.252900
  H    -10.739260   -6.208463    0.674738
  H     -8.425390   -7.315949    4.101592
  H    -10.605934   -6.938737    3.029715
*
