%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_00

0 1
 C	 1.394940000	 3.378780000	 0.390390000
 H	 2.403130000	 2.960810000	 0.445810000
 N	 0.671230000	 2.686250000	-0.708880000
 O	 0.615370000	 4.853500000	-1.301830000
 Cu	 0.015650000	 0.703440000	-0.465260000
 C	 1.428210000	 4.853290000	-0.091860000
 H	 0.981600000	 5.559190000	 0.610850000
 H	 2.431240000	 5.188980000	-0.365660000
 N	-1.057460000	 0.988610000	-2.219900000
 O	-1.686950000	 1.823590000	-4.207800000
 C	 0.275310000	 3.569260000	-1.546600000
 C	-0.517500000	 3.389760000	-2.825540000
 C	-1.068060000	 1.990350000	-3.019210000
 C	-2.067880000	 0.419700000	-4.289960000
 H	-1.435460000	-0.052500000	-5.047170000
 H	-3.113360000	 0.370660000	-4.597070000
 C	-1.809090000	-0.121660000	-2.861610000
 H	-2.749570000	-0.234350000	-2.312440000
 C	 0.285590000	-0.598600000	 0.885270000
 C	 0.451580000	-1.405430000	 1.799560000
 C	 0.610580000	-2.354110000	 2.889450000
 C	 0.771040000	-3.805720000	 2.451530000
 C	-0.477970000	-2.170940000	 3.984260000
 O	 0.103610000	-1.216500000	 4.891700000
 H	-0.671270000	-3.099070000	 4.530650000
 H	-1.406230000	-1.762130000	 3.587320000
 O	 1.817050000	-1.977530000	 3.684200000
 C	 1.445050000	-1.212340000	 4.726990000
 O	 2.208560000	-0.602750000	 5.434720000
 C	 1.214190000	-4.763500000	 3.375480000
 C	 1.004600000	-6.499470000	 1.701220000
 C	 1.332980000	-6.101870000	 3.001630000
 C	 0.448930000	-4.206490000	 1.151350000
 C	 0.562750000	-5.548580000	 0.779640000
 H	 0.113720000	-3.467790000	 0.430760000
 H	 1.479010000	-4.458110000	 4.383900000
 H	 1.684590000	-6.833650000	 3.724190000
 H	 1.096370000	-7.542840000	 1.410730000
 H	 0.309640000	-5.843840000	-0.235220000
 C	 0.683600000	 3.138240000	 1.707980000
 C	 1.300880000	 2.405830000	 2.726230000
 C	-0.630330000	 3.591690000	 1.893050000
 C	 0.623060000	 2.133900000	 3.917830000
 H	 2.310710000	 2.030380000	 2.581370000
 C	-1.311400000	 3.320590000	 3.079880000
 H	-1.126070000	 4.150100000	 1.101730000
 C	-0.684910000	 2.589140000	 4.094790000
 H	 1.112810000	 1.556570000	 4.695930000
 H	-2.330480000	 3.675270000	 3.211640000
 H	-1.216500000	 2.371990000	 5.017630000
 C	-1.048840000	-1.429890000	-2.808890000
 C	-1.660920000	-2.586480000	-2.316460000
 C	 0.284320000	-1.492800000	-3.239480000
 C	-0.955900000	-3.792200000	-2.257500000
 H	-2.690280000	-2.542750000	-1.968590000
 C	 0.992050000	-2.692900000	-3.175230000
 H	 0.771740000	-0.593950000	-3.609560000
 C	 0.372740000	-3.847030000	-2.683910000
 H	-1.441890000	-4.682660000	-1.867770000
 H	 2.027950000	-2.727490000	-3.502040000
 H	 0.925940000	-4.780610000	-2.628310000
 C	-1.724510000	 4.367260000	-2.806680000
 H	-2.299950000	 4.259640000	-3.729320000
 H	-2.380840000	 4.157370000	-1.955180000
 H	-1.368830000	 5.397130000	-2.730860000
 C	 0.422310000	 3.727880000	-4.014780000
 H	 1.260460000	 3.024170000	-4.059880000
 H	-0.131510000	 3.676090000	-4.954930000
 H	 0.818880000	 4.739170000	-3.894310000

D 3 5 21 23 F

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

-Cu 0
LANL2DZ


