# sp_wB97M-D3(BJ) 

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

%scf
maxiter 1000
end

%pal
nprocs 36 
end

* xyz 0 1
Cu    -8.949300   -1.337512  -11.590766
Cl    -8.544465    0.250342  -13.354442
Cl   -10.881555   -2.063290  -12.461199
Cu   -10.773244    0.194304  -13.702035
Cl    -6.913730   -1.716927  -10.861950
N    -11.460415    1.349135  -12.309756
C    -10.971425    1.873991  -11.359733
C     -9.783871    2.352601  -10.699858
C     -9.248320    3.588823  -11.049844
C     -8.088081    4.031228  -10.437425
C     -7.462304    3.249561   -9.476075
C     -7.984429    2.012916   -9.122823
C     -9.148004    1.579767   -9.728349
H     -9.744186    4.187384  -11.799364
H     -7.672312    4.989843  -10.712354
H     -6.556777    3.595405   -8.998384
H     -7.487783    1.395934   -8.389639
I     -9.915909   -0.319989   -9.250330
Cl   -12.182965    0.071018  -15.388573
B    -13.110759    1.881565   -9.677182
H    -12.798623    1.755171   -8.525956
H    -13.841621    2.781801   -9.992885
N    -13.543882    0.526556  -10.336109
H    -12.951478   -0.249997  -10.051799
H    -13.497554    0.566585  -11.354220
H    -14.500675    0.276253  -10.098905
H    -11.998093    2.174503  -10.300675
*
