#of_B97-3c

! wB97M-D3BJ def2-QZVP SMD(Acetonitrile)

%scf
	maxiter 1000
end

%pal
	nprocs 36
end

* xyz 0 3
Cu      -8.855548000     -1.273627000    -11.309020000
Cl      -8.535326000      0.273286000    -13.057071000
Cl     -10.882473000     -1.979501000    -11.965351000
Cu     -10.859943000      0.319862000    -13.159749000
Cl      -6.785461000     -1.870152000    -10.828501000
N      -11.559246000      1.208821000    -11.664389000
C      -11.119868000      1.877494000    -10.713912000
C       -9.749117000      2.363789000    -10.454776000
C       -9.309688000      3.545993000    -11.036891000
C       -8.033684000      4.017679000    -10.780512000
C       -7.183139000      3.318197000     -9.933096000
C       -7.602315000      2.128775000     -9.353502000
C       -8.892604000      1.681210000     -9.611765000
H       -9.964859000      4.077411000    -11.712472000
H       -7.697744000      4.939395000    -11.233922000
H       -6.184768000      3.682111000     -9.735044000
H       -6.934086000      1.551263000     -8.733147000
I       -9.495137000     -0.151029000     -8.776451000
Cl     -11.610397000      0.056932000    -15.222071000
B      -13.720316000      1.653523000     -9.379611000
H      -13.267316000      1.058173000     -8.450103000
H      -13.969875000      2.824092000     -9.345018000
N      -13.911023000      0.896610000    -10.653542000
H      -14.128430000     -0.102177000    -10.535719000
H      -12.835176000      0.838862000    -11.248343000
H      -14.561748000      1.298724000    -11.325150000
H      -11.841215000      2.198085000     -9.875156000
*
