# of_B97-3c 

! Opt
! Freq
! B97-3c SMD(Acetonitrile)

%geom
maxiter 200
end

%scf
maxiter 1000
end

%pal
nprocs 36 
end

* xyz 0 3
Cu       1.843036000      2.599405000     -1.352609000
Cl       1.817348000      0.912174000      0.158624000
Cl      -0.382967000      2.893089000     -1.169883000
Cu      -0.517628000      1.078153000      0.328078000
Cl       2.718772000      3.972117000     -2.727158000
Cl      -2.502347000      1.797280000      1.105315000
B       -0.967967000     -1.168067000      0.436880000
N        0.219089000     -2.201498000      0.396465000
H        1.068817000     -1.780266000      0.028722000
H        0.013375000     -3.008289000     -0.189060000
H       -1.968513000     -1.614884000      0.916010000
H       -1.135641000     -0.693358000     -0.679270000
H        0.431189000     -2.560666000      1.324964000
H       -0.636563000     -0.225189000      1.422923000
*
