%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_53

0 1
 C	 0.636680000	 3.370680000	 0.754040000
 H	 1.712210000	 3.244510000	 0.913080000
 N	 0.284550000	 2.698240000	-0.522830000
 O	-0.326540000	 4.836470000	-0.851400000
 Cu	 0.209070000	 0.614550000	-0.642450000
 C	 0.284760000	 4.855660000	 0.471310000
 H	-0.440100000	 5.276410000	 1.168440000
 H	 1.169160000	 5.497950000	 0.422680000
 N	-0.681520000	 0.866160000	-2.490450000
 O	-1.253470000	 1.809130000	-4.442630000
 C	-0.246910000	 3.566200000	-1.304420000
 C	-0.783200000	 3.389260000	-2.709570000
 C	-0.876010000	 1.942950000	-3.157380000
 C	-1.230200000	 0.381200000	-4.750290000
 H	-0.429260000	 0.213980000	-5.474740000
 H	-2.192760000	 0.116550000	-5.187480000
 C	-0.965870000	-0.289900000	-3.380640000
 H	-1.879220000	-0.767830000	-3.004020000
 C	 0.649300000	-0.775510000	 0.545710000
 C	 0.918740000	-1.667790000	 1.359980000
 C	 1.210700000	-2.725000000	 2.292510000
 C	 0.039490000	-3.406070000	 2.965800000
 C	 2.368120000	-2.342520000	 3.212250000
 O	 3.577530000	-2.419230000	 2.457540000
 H	 2.491780000	-3.039920000	 4.029520000
 H	 2.276720000	-1.372800000	 3.658120000
 O	 2.280470000	-3.906050000	 1.450800000
 C	 3.504230000	-3.448610000	 1.556900000
 O	 4.475400000	-3.819110000	 0.945510000
 C	 0.234770000	-4.565000000	 3.728750000
 C	-2.118940000	-4.632590000	 4.287980000
 C	-0.835580000	-5.172280000	 4.399060000
 C	-1.246110000	-2.847550000	 2.904850000
 C	-2.313260000	-3.444780000	 3.576400000
 H	-1.409550000	-1.933390000	 2.344290000
 H	 1.221760000	-5.009390000	 3.804130000
 H	-0.679840000	-6.097530000	 4.947150000
 H	-2.993870000	-5.238350000	 4.601150000
 H	-3.302500000	-2.987960000	 3.535000000
 C	-0.110370000	 2.725730000	 1.901450000
 C	 0.577630000	 2.029140000	 2.900070000
 C	-1.515700000	 2.758430000	 1.937840000
 C	-0.115760000	 1.370580000	 3.925550000
 H	 1.659420000	 1.984130000	 2.873410000
 C	-2.209120000	 2.127030000	 2.967110000
 H	-2.058200000	 3.276340000	 1.153450000
 C	-1.514060000	 1.425890000	 3.962820000
 H	 0.429590000	 0.821570000	 4.681960000
 H	-3.294380000	 2.182280000	 3.002140000
 H	-2.056160000	 0.921010000	 4.751320000
 C	 0.165250000	-1.294950000	-3.364890000
 C	-0.080240000	-2.629020000	-3.021380000
 C	 1.477750000	-0.893180000	-3.646910000
 C	 0.977840000	-3.543280000	-2.921340000
 H	-1.084410000	-2.939310000	-2.759930000
 C	 2.529370000	-1.809910000	-3.590130000
 H	 1.676600000	 0.144160000	-3.900090000
 C	 2.280570000	-3.138840000	-3.236430000
 H	 0.802980000	-4.550810000	-2.533660000
 H	 3.541720000	-1.485170000	-3.807060000
 H	 3.105860000	-3.838200000	-3.113080000
 C	-2.207490000	 3.992770000	-2.782190000
 H	-2.606230000	 3.886800000	-3.792770000
 H	-2.881640000	 3.482670000	-2.080600000
 H	-2.179450000	 5.055970000	-2.523260000
 C	 0.166000000	 4.148490000	-3.677110000
 H	 1.169720000	 3.717020000	-3.657880000
 H	-0.221900000	 4.104810000	-4.694610000
 H	 0.234110000	 5.197110000	-3.368430000

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


