# sp_wB97M-D3(BJ) 

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

%scf
maxiter 1000
end

%pal
nprocs 36 
end

* xyz 0 3
Cu    -8.921646   -1.325429  -11.592096
Cl    -8.514484    0.310151  -13.297614
Cl   -10.821624   -2.067153  -12.527332
Cu   -10.740577    0.178043  -13.648664
Cl    -6.904764   -1.740313  -10.834018
N    -11.485286    1.369017  -12.296886
C    -10.998422    1.888335  -11.340893
C     -9.799430    2.361508  -10.696118
C     -9.256693    3.591742  -11.055220
C     -8.083368    4.022693  -10.460048
C     -7.451711    3.235241   -9.506906
C     -7.981305    2.004634   -9.144736
C     -9.157352    1.582619   -9.734129
H     -9.756995    4.194425  -11.798483
H     -7.661602    4.976721  -10.741819
H     -6.535460    3.571997   -9.043351
H     -7.479783    1.382480   -8.419267
I     -9.933117   -0.314138   -9.257168
Cl   -12.171879    0.073033  -15.327163
B    -13.127118    1.874033   -9.661411
H    -12.830974    1.736888   -8.507865
H    -13.843070    2.784632   -9.980524
N    -13.559925    0.530177  -10.341494
H    -13.006692   -0.261972  -10.024028
H    -13.450040    0.569597  -11.355957
H    -14.535891    0.307057  -10.163549
H    -12.002550    2.160955  -10.273892
*
