%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_04

0 1
 C	 1.280270000	 3.434040000	 0.427370000
 H	 2.299270000	 3.043940000	 0.508310000
 N	 0.614930000	 2.723120000	-0.695870000
 O	 0.531550000	 4.902860000	-1.271880000
 Cu	-0.018660000	 0.706370000	-0.463930000
 C	 1.285030000	 4.918340000	-0.028660000
 H	 0.781530000	 5.598980000	 0.662890000
 H	 2.286350000	 5.293160000	-0.256550000
 N	-1.020130000	 1.017770000	-2.277270000
 O	-1.562170000	 1.859870000	-4.299490000
 C	 0.234740000	 3.610620000	-1.540210000
 C	-0.492050000	 3.431660000	-2.856160000
 C	-1.005280000	 2.023790000	-3.077320000
 C	-1.921050000	 0.456830000	-4.412670000
 H	-1.238310000	-0.005320000	-5.134230000
 H	-2.946920000	 0.402700000	-4.783080000
 C	-1.739430000	-0.082860000	-2.967260000
 H	-2.708090000	-0.196960000	-2.466200000
 C	 0.245070000	-0.638270000	 0.907120000
 C	 0.484270000	-1.431920000	 1.838830000
 C	 0.802200000	-2.379720000	 2.906830000
 C	 0.829320000	-3.848500000	 2.462200000
 C	-0.040650000	-2.183640000	 4.209130000
 O	 0.736640000	-1.315790000	 5.036170000
 H	-0.162470000	-3.092990000	 4.810330000
 H	-1.006680000	-1.745750000	 3.988560000
 O	 2.151570000	-2.045870000	 3.459610000
 C	 2.008060000	-1.285530000	 4.564640000
 O	 2.858840000	-0.643930000	 5.128930000
 C	 1.441700000	-4.814390000	 3.295900000
 C	 0.516300000	-6.599890000	 1.920100000
 C	 1.389870000	-6.170590000	 2.956910000
 C	 0.063170000	-4.272370000	 1.347790000
 C	-0.059940000	-5.639730000	 1.073950000
 H	-0.339670000	-3.508530000	 0.685940000
 H	 1.921090000	-4.514220000	 4.232090000
 H	 1.876610000	-6.904330000	 3.603890000
 H	 0.319550000	-7.656620000	 1.769420000
 H	-0.438930000	-5.964600000	 0.116730000
 C	 0.523680000	 3.153560000	 1.710890000
 C	 1.135140000	 2.441280000	 2.738910000
 C	-0.810040000	 3.558550000	 1.859420000
 C	 0.451280000	 2.135300000	 3.911850000
 H	 2.178200000	 2.167690000	 2.637190000
 C	-1.516050000	 3.234580000	 3.021880000
 H	-1.293660000	 4.114540000	 1.058030000
 C	-0.882440000	 2.512930000	 4.045860000
 H	 0.989160000	 1.654780000	 4.719190000
 H	-2.586910000	 3.422530000	 3.063280000
 H	-1.442280000	 2.221590000	 4.927460000
 C	-0.977310000	-1.384750000	-2.867930000
 C	-1.639680000	-2.542940000	-2.459890000
 C	 0.376060000	-1.454110000	-3.232060000
 C	-0.961990000	-3.762630000	-2.431380000
 H	-2.703800000	-2.506170000	-2.212050000
 C	 1.070730000	-2.662700000	-3.122940000
 H	 0.882770000	-0.553220000	-3.575390000
 C	 0.411260000	-3.816840000	-2.687200000
 H	-1.517040000	-4.676100000	-2.217980000
 H	 2.144620000	-2.683900000	-3.295390000
 H	 0.950720000	-4.752710000	-2.568110000
 C	-1.715960000	 4.389120000	-2.887500000
 H	-2.243430000	 4.281660000	-3.838400000
 H	-2.407710000	 4.163810000	-2.068040000
 H	-1.383160000	 5.424200000	-2.791360000
 C	 0.499200000	 3.791460000	-3.997150000
 H	 1.348660000	 3.098640000	-4.006550000
 H	-0.007880000	 3.738550000	-4.963020000
 H	 0.870380000	 4.809570000	-3.854500000

D 3 5 21 23 F

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

-Cu 0
LANL2DZ


