# sp_wB97M-D3(BJ) 

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

%scf
maxiter 1000
end

%pal
nprocs 36 
end

* xyz 0 3
Cu    -8.850104   -1.162991  -11.281747
Cl    -8.470103    0.529458  -12.876990
Cl   -10.909592   -1.755603  -11.931426
Cu   -10.797766    0.521504  -13.153701
Cl    -6.811409   -1.838013  -10.807093
N    -11.611497    1.332391  -11.593072
C    -11.163930    1.870456  -10.531138
C     -9.775129    2.326225  -10.390644
C     -9.347449    3.466343  -11.059478
C     -8.046015    3.917158  -10.901014
C     -7.161750    3.231704  -10.078897
C     -7.566522    2.080520   -9.421224
C     -8.871579    1.649756   -9.579538
H    -10.038554    3.992959  -11.701790
H     -7.720715    4.803586  -11.426858
H     -6.146301    3.581792   -9.958536
H     -6.873592    1.518792   -8.813515
I     -9.450831   -0.206412   -8.769725
Cl   -10.971644   -0.001184  -15.256985
H    -12.599429    1.092748  -11.531346
H    -11.830738    2.025503   -9.685659
*
