# sp_wB97M-D3(BJ) 

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

%scf
maxiter 1000
end

%pal
nprocs 36 
end

* xyz 0 3
Cu    -7.922234   -1.108615  -12.338519
Cl    -8.807072   -0.126358  -14.458297
Cl    -9.464209   -2.874232  -12.725050
Cu   -10.666672   -1.026518  -13.442428
Cl    -5.911736   -2.457622  -12.774990
N    -11.052250    0.630712  -12.328896
C    -10.524110    1.242955  -11.497871
C     -9.835671    1.946058  -10.494486
C     -9.970026    3.336215  -10.401474
C     -9.276333    4.028280   -9.428806
C     -8.444854    3.346223   -8.551537
C     -8.297840    1.967024   -8.635973
C     -8.992252    1.267721   -9.601484
H    -10.618272    3.849179  -11.095635
H     -9.382359    5.100794   -9.356453
H     -7.898637    3.886343   -7.791460
H     -7.645126    1.446903   -7.951619
I     -8.779456   -0.823721   -9.701316
Cl   -12.673512   -1.940855  -13.662181
H     -7.110393    0.171349  -12.036300
B     -5.679696   -2.314026  -14.703437
H     -4.745163   -3.010563  -14.981318
H     -5.570290   -1.153329  -14.974497
N     -6.993061   -2.890484  -15.360609
H     -7.207193   -3.840818  -15.071078
H     -6.892993   -2.910587  -16.373426
H     -7.813992   -2.318525  -15.164595
*
