# sp_wB97M-D3(BJ) 

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

%scf
maxiter 1000
end

%pal
nprocs 36 
end

* xyz 0 5
Cu    -4.073209   -4.367389   -0.704865
Cl    -3.599751   -1.346415    1.636671
Cl    -2.949473   -4.737805    1.316902
Cl    -2.661385   -2.738313   -1.442785
Cu    -4.429860   -1.586491   -0.501698
Cl    -6.142724   -0.102355   -0.278521
Cl    -5.890135   -3.095900   -1.744333
Cu    -7.230774   -2.127746    0.042292
Cl    -9.329054   -2.729140   -0.241888
Cl    -6.738912   -2.852503    2.174492
Cu    -4.512987   -3.373394    2.356200
Cl    -4.670345   -4.420210    4.363886
N     -5.308571   -5.839726   -0.389587
C     -6.236239   -6.123842    0.243565
C     -7.390615   -6.405570    0.987728
C     -8.635989   -6.212469    0.391063
C     -7.320678   -6.809487    2.335453
C     -9.789907   -6.415072    1.130461
C     -8.479147   -6.999784    3.069112
C     -9.711072   -6.805215    2.459399
H     -8.686172   -5.893675   -0.637578
I     -5.486617   -7.141220    3.243826
H    -10.751389   -6.258863    0.664391
H     -8.421305   -7.298899    4.104099
H    -10.612687   -6.956846    3.034682
*
