# sp_wB97M-D3(BJ) 

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

%scf
maxiter 1000
end

%pal
nprocs 36 
end

* xyz 0 3
Cu    -7.947554   -2.861583  -13.356651
Cl    -7.935919   -1.125965  -14.870878
Cl   -10.059873   -2.659755  -12.678547
Cu    -9.314862   -0.423994  -13.178528
Cl    -6.042843   -3.858109  -13.150910
H    -11.774518    2.230362  -11.888986
N    -10.492842    0.890016  -12.642538
C    -10.802300    1.736558  -11.770670
C    -10.053317    2.187436  -10.595124
C    -10.688019    3.150184   -9.798139
C    -10.093931    3.651740   -8.657964
C     -8.836747    3.200009   -8.285820
C     -8.181358    2.249659   -9.055032
C     -8.783658    1.750959  -10.197867
H    -11.668848    3.496905  -10.093465
H    -10.609003    4.391262   -8.061743
H     -8.355175    3.582062   -7.396743
H     -7.201560    1.904428   -8.760296
I     -7.628087    0.329790  -11.256542
*
