#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     -10.256101194      2.250015777    -12.891468839
Cl      -9.505253183      0.318642675    -12.033759456
Cl      -8.169003794      3.201503894    -12.619507675
Cu      -8.092877903      1.802750634    -10.727814871
Cl     -11.264447609      3.506488894    -14.344941381
H      -10.088091107      0.457074765     -7.646799202
N       -8.679632687      1.036156561     -9.015324253
C       -9.881210161      0.929167143     -8.603065488
C      -10.990894221      1.409988529     -9.417869393
C      -10.901214610      2.661510380    -10.024545063
C      -11.845861188      3.063111346    -10.958205847
C      -12.909468654      2.216036803    -11.271644352
C      -13.041557954      0.994951154    -10.633745188
C      -12.092997499      0.602277619     -9.702305237
I       -9.333123073      3.957045846     -9.502360432
H      -11.790272186      4.051703769    -11.387828401
H      -13.644015453      2.518312309    -12.003246838
H      -13.870754746      0.345903472    -10.870914150
Cl      -6.561480348      3.120981120     -9.680472077
H       -7.966725716      0.705509102     -8.372337604
H      -12.208338093     -0.341362684     -9.189821552
*
