# of_B97-3c
! Opt
! Freq	
! B97-3c SMD(Acetonitrile) 

%geom
	maxiter 200
end

%scf
	maxiter 1000
end

%pal
nprocs 36 
end

*xyz 0 4
Cu      -2.188875208      0.906866388     -2.554959144
Cl      -0.075126414     -0.131145364     -0.780053936
Cl      -4.016512445      0.777143100     -1.422495195
Cl      -1.799051085     -1.108832329     -3.521008382
Cu       0.337065174     -1.424443050     -2.736157563
Cl       0.538963798     -3.305622074     -3.954757096
Cl      -0.536304972      2.213769777     -3.402022826
Cu       0.881218639      1.729427420     -1.619539198
Cl       2.420606286      3.193526231     -1.260773037
N        2.236479067     -1.029876413     -2.644682085
C        3.092537511     -0.373177095     -3.056438187
C        4.073125911      0.501587355     -3.552454492
C        5.412891830      0.257251972     -3.241077217
C        3.726557072      1.618577053     -4.333931213
C        6.390235425      1.117110223     -3.707453729
C        4.713985776      2.473527430     -4.792852845
C        6.040825547      2.217987602     -4.479013516
H        5.667731026     -0.600082047     -2.636993375
I        1.687849178      1.927886977     -4.622965950
H        7.425925603      0.928170284     -3.466593721
H        4.450102131      3.331848419     -5.391569470
H        6.805627169      2.889727831     -4.841281941
*
