# sp_wB97M-D3(BJ) 

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

%scf
maxiter 1000
end

%pal
nprocs 36 
end

* xyz 0 3
Cu    -7.611339   -2.030589  -11.348986
Cl    -7.746359   -1.953545  -13.651680
Cl    -9.716949   -1.522088  -10.890573
Cu    -9.230362   -0.204076  -13.010073
Cl    -5.630770   -2.622566  -10.723065
H    -11.233196    2.768246  -11.502285
N    -10.269583    1.378597  -12.599369
C    -10.371916    2.098741  -11.558716
C     -9.511461    2.129251  -10.384267
C    -10.093541    2.577305   -9.193076
C     -9.384172    2.592091   -8.007189
C     -8.059347    2.183613   -7.992751
C     -7.443717    1.765853   -9.165225
C     -8.169780    1.745295  -10.340251
H    -11.126282    2.897361   -9.212460
H     -9.862040    2.927723   -7.098042
H     -7.491074    2.194150   -7.073427
H     -6.407270    1.463813   -9.156866
I     -7.119267    1.182318  -12.078553
N    -12.291323    1.447829  -14.214451
H    -12.993608    1.977353  -13.711917
H    -12.090493    1.931727  -15.080892
B    -12.625457   -0.024498  -14.341586
H    -13.040475   -0.486928  -13.312171
Cl   -10.823010   -0.970932  -14.642470
H    -13.219163   -0.362419  -15.336592
H    -11.135601    1.495924  -13.364333
*
