# sp_wB97M-D3(BJ) 

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

%scf
maxiter 1000
end

%pal
nprocs 36 
end

* xyz 0 3
Cu    -9.510911   -1.826976  -11.231801
Cl    -8.808787   -2.122752  -13.364551
Cl   -11.734850   -1.914060  -11.628384
Cu   -10.797267   -0.845614  -13.531448
Cl    -6.699499    1.287597  -11.814601
H    -12.110865   -0.591864  -14.303343
N    -10.078347    0.993482  -13.168598
C     -9.654758    1.563563  -12.250292
C     -9.165526    2.204070  -11.102697
C    -10.057466    2.860367  -10.244701
C     -9.591883    3.427663   -9.076784
C     -8.242796    3.345885   -8.756240
C     -7.347164    2.697557   -9.595021
C     -7.807715    2.128037  -10.763574
H    -11.102920    2.904834  -10.509212
H    -10.279776    3.931327   -8.413894
H     -7.876689    3.787587   -7.840597
H     -6.301131    2.632143   -9.337443
I     -8.563395   -1.253677   -9.075600
*
