%nprocshared=8
%mem=20GB
#p opt=(modredundant,maxstep=7) genecp scf=xqc scrf=(solvent=tetrahydrofuran,smd) nosymm guess=always Int=(grid=UltraFine) empiricaldispersion=gd3 b3lyp

geom_87

0 1
 C	 0.472430000	 3.304040000	 0.821960000
 H	 1.544920000	 3.207570000	 1.007920000
 N	 0.178040000	 2.635320000	-0.472390000
 O	-0.409300000	 4.765270000	-0.832540000
 Cu	 0.131770000	 0.592070000	-0.601780000
 C	 0.085810000	 4.779880000	 0.539580000
 H	-0.715710000	 5.156730000	 1.178140000
 H	 0.938270000	 5.459920000	 0.575780000
 N	-0.725530000	 0.804200000	-2.461180000
 O	-1.133030000	 1.726310000	-4.463790000
 C	-0.309370000	 3.502350000	-1.280430000
 C	-0.756040000	 3.321360000	-2.719200000
 C	-0.854800000	 1.873520000	-3.156690000
 C	-1.225000000	 0.293770000	-4.726050000
 H	-0.518370000	 0.056280000	-5.519130000
 H	-2.240900000	 0.087030000	-5.068740000
 C	-0.901470000	-0.367800000	-3.364740000
 H	-1.756330000	-0.943020000	-2.999280000
 C	 0.544370000	-0.811310000	 0.543350000
 C	 0.778430000	-1.749980000	 1.335680000
 C	 0.961180000	-2.807550000	 2.196920000
 C	-0.147560000	-3.238330000	 3.064620000
 C	 2.358180000	-3.249230000	 2.470820000
 O	 3.327050000	-2.773770000	 1.583080000
 H	 2.390600000	-4.342840000	 2.405640000
 H	 2.637020000	-3.021720000	 3.499590000
 O	 2.863440000	-4.676970000	 0.427350000
 C	 3.645010000	-3.677600000	 0.501740000
 O	 4.623560000	-3.325990000	-0.156310000
 C	-0.019580000	-4.347810000	 3.925660000
 C	-2.266650000	-4.001620000	 4.759300000
 C	-1.050500000	-4.696220000	 4.803160000
 C	-1.313140000	-2.442840000	 3.177630000
 C	-2.352340000	-2.811760000	 4.022600000
 H	-1.382740000	-1.523060000	 2.610390000
 H	 0.913360000	-4.895080000	 3.999560000
 H	-0.932540000	-5.538250000	 5.482460000
 H	-3.084510000	-4.300410000	 5.408900000
 H	-3.230080000	-2.181090000	 4.109740000
 C	-0.287240000	 2.626550000	 1.944010000
 C	 0.398430000	 1.943400000	 2.956600000
 C	-1.689560000	 2.598410000	 1.933240000
 C	-0.303870000	 1.245340000	 3.946160000
 H	 1.483760000	 1.948530000	 2.963520000
 C	-2.391190000	 1.929430000	 2.934480000
 H	-2.235570000	 3.106770000	 1.141590000
 C	-1.699000000	 1.241880000	 3.937090000
 H	 0.239950000	 0.707270000	 4.715540000
 H	-3.479730000	 1.939080000	 2.930860000
 H	-2.245920000	 0.697450000	 4.703120000
 C	 0.342020000	-1.231080000	-3.314180000
 C	 0.314590000	-2.465470000	-2.654450000
 C	 1.568220000	-0.746670000	-3.795340000
 C	 1.494580000	-3.182930000	-2.423500000
 H	-0.622020000	-2.823740000	-2.232930000
 C	 2.733000000	-1.492940000	-3.637420000
 H	 1.609300000	 0.215630000	-4.298910000
 C	 2.702950000	-2.708160000	-2.942850000
 H	 1.496630000	-4.077900000	-1.802110000
 H	 3.670320000	-1.129470000	-4.053070000
 H	 3.622550000	-3.238620000	-2.715990000
 C	-2.158190000	 3.964180000	-2.894380000
 H	-2.486570000	 3.852250000	-3.931320000
 H	-2.894520000	 3.483970000	-2.243660000
 H	-2.115880000	 5.028970000	-2.652840000
 C	 0.281560000	 4.046310000	-3.621550000
 H	 1.266870000	 3.585110000	-3.532970000
 H	-0.040750000	 3.998970000	-4.664680000
 H	 0.357320000	 5.096130000	-3.323380000

D 3 5 21 23 F
D 20 22 23 21 F
B 21 27 F

-C -N -O -H -S -F 0
6-31g(d)
****
-Cu 0
LANL2DZ
****

-Cu 0
LANL2DZ


