# sp_wB97M-D3(BJ) 

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

%scf
maxiter 1000
end

%pal
nprocs 36 
end

* xyz 0 3
Cu     1.780432    2.420830   -1.276694
Cl     1.796060    1.029303    0.474896
Cl    -0.376085    3.008994   -0.934697
Cu    -0.570583    1.129051    0.447709
Cl     2.585490    3.407793   -2.994519
Cl    -2.593922    1.806230    1.144633
B     -0.935005   -1.106980    0.399068
N      0.285960   -2.102851    0.344827
H      1.161335   -1.658104    0.081201
H      0.122061   -2.838046   -0.338757
H     -1.952309   -1.666548    0.699802
H     -1.030183   -0.526610   -0.669245
H      0.449308   -2.566756    1.234034
H     -0.722559   -0.336306    1.387741
*
