# sp_wB97M-D3(BJ) 

! wB97M-D3BJ def2-QZVP SlowConv SMD(Acetonitrile)

%scf
maxiter 1000
end

%pal
nprocs 36 
end

* xyz 0 3
Cu    -8.947344    2.895164  -13.334748
Cl    -9.100195    0.881901  -12.465523
Cl    -6.978230    3.526151  -12.358691
Cu    -7.882061    2.322498  -10.561767
Cl    -9.633143    4.430393  -14.687910
H    -10.107604    0.357126   -7.981034
N     -8.760651    1.416056   -9.062612
C     -9.959574    1.055330   -8.801355
C    -11.167256    1.432211   -9.506207
C    -11.363008    2.578859  -10.281867
C    -12.547124    2.808446  -10.953102
C    -13.579071    1.884211  -10.853255
C    -13.427953    0.750803  -10.070050
C    -12.241503    0.538972   -9.395129
I     -9.918923    4.105311  -10.420213
H    -12.672325    3.700725  -11.547722
H    -14.502975    2.065830  -11.383927
H    -14.234917    0.038326   -9.978002
Cl    -5.883109    1.345996  -10.037996
H     -8.069478    1.015090   -8.436680
H    -12.116878   -0.341628   -8.780188
*
