# sp_wB97M-D3(BJ) 

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

%scf
maxiter 1000
end

%pal
nprocs 36 
end

* xyz 0 3
Cu     1.940262    2.972128   -1.326891
Cl     2.203568    1.360014    0.173035
Cl    -0.343261    3.165607   -1.337476
Cu    -0.212285    1.397736    0.111903
Cl     2.841503    4.375294   -2.699710
Cl    -1.056068    0.669846    2.036076
B     -1.472335   -1.693599    0.387147
N     -0.043817   -2.159998    0.676987
H      0.645470   -1.763628    0.040901
H      0.007510   -3.175766    0.555609
H     -2.252741   -1.791708    1.264331
H     -1.767091   -1.589504   -0.752478
H      0.263596   -1.971040    1.628709
H     -0.754310    0.204619   -0.758142
*
