# sp_wB97M-D3(BJ) 

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

%scf
maxiter 1000
end

%pal
nprocs 36 
end

* xyz 0 4
Cu    -2.342541    0.681202   -2.210006
Cl     0.158667    0.333714   -1.170023
Cl    -3.727080    0.331874   -0.594530
Cl    -1.987115   -1.340891   -3.207017
Cu     0.262452   -1.407510   -2.739934
Cl     0.361088   -3.599602   -3.232224
Cl    -1.411898    2.131116   -3.659634
Cu     0.634688    2.187054   -2.624856
Cl     2.141733    3.223092   -1.413393
N      2.092653   -0.964963   -3.236451
C      3.029672   -0.337164   -3.485311
C      4.119425    0.504247   -3.759236
C      5.413297    0.109014   -3.409524
C      3.911597    1.772007   -4.326338
C      6.474113    0.967269   -3.631765
C      4.973390    2.626119   -4.541496
C      6.255096    2.216124   -4.194774
H      5.565717   -0.862124   -2.963799
I      1.993550    2.390959   -4.918968
H      7.473513    0.660782   -3.360397
H      4.809802    3.601278   -4.973719
H      7.084038    2.887633   -4.365680
*
