%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_08

0 1
 C	 1.178020000	 3.474260000	 0.470800000
 H	 2.205880000	 3.112850000	 0.577490000
 N	 0.567890000	 2.748990000	-0.674210000
 O	 0.448880000	 4.934480000	-1.237370000
 Cu	-0.033900000	 0.707530000	-0.462390000
 C	 1.151810000	 4.964030000	 0.032160000
 H	 0.600570000	 5.620620000	 0.711780000
 H	 2.147990000	 5.373740000	-0.157680000
 N	-0.981390000	 1.025510000	-2.313170000
 O	-1.457720000	 1.870190000	-4.355910000
 C	 0.194910000	 3.636060000	-1.523770000
 C	-0.477930000	 3.452290000	-2.866390000
 C	-0.952050000	 2.035460000	-3.110630000
 C	-1.787540000	 0.464630000	-4.492280000
 H	-1.064280000	 0.014950000	-5.183050000
 H	-2.794650000	 0.399880000	-4.910760000
 C	-1.663260000	-0.075020000	-3.038500000
 H	-2.651060000	-0.199190000	-2.577030000
 C	 0.229800000	-0.639330000	 0.933140000
 C	 0.521290000	-1.423460000	 1.869680000
 C	 0.956560000	-2.390460000	 2.879960000
 C	 0.803360000	-3.859790000	 2.444150000
 C	 0.389820000	-2.172660000	 4.322870000
 O	 1.353360000	-1.387550000	 5.013290000
 H	 0.328650000	-3.068760000	 4.953000000
 H	-0.573420000	-1.695170000	 4.275110000
 O	 2.400130000	-2.142450000	 3.179380000
 C	 2.499410000	-1.381730000	 4.290780000
 O	 3.439240000	-0.742800000	 4.689930000
 C	 1.515600000	-4.868780000	 3.141370000
 C	 0.071660000	-6.573130000	 2.164350000
 C	 1.265450000	-6.221100000	 2.863960000
 C	-0.269710000	-4.223820000	 1.576920000
 C	-0.575860000	-5.579990000	 1.403740000
 H	-0.694800000	-3.425800000	 0.958550000
 H	 2.189460000	-4.603820000	 3.966320000
 H	 1.825870000	-6.987800000	 3.406460000
 H	-0.276530000	-7.596010000	 2.145730000
 H	-1.100820000	-5.896320000	 0.515550000
 C	 0.387730000	 3.159340000	 1.725650000
 C	 0.991220000	 2.460480000	 2.763560000
 C	-0.962510000	 3.517640000	 1.838120000
 C	 0.291300000	 2.097420000	 3.907060000
 H	 2.051170000	 2.264630000	 2.701510000
 C	-1.693780000	 3.137640000	 2.970630000
 H	-1.436990000	 4.068880000	 1.026560000
 C	-1.058500000	 2.425080000	 4.005050000
 H	 0.845190000	 1.653780000	 4.723660000
 H	-2.782020000	 3.192360000	 2.928790000
 H	-1.649430000	 2.038800000	 4.827040000
 C	-0.893730000	-1.367790000	-2.904720000
 C	-1.574830000	-2.533000000	-2.557790000
 C	 0.473930000	-1.429710000	-3.215180000
 C	-0.894580000	-3.750180000	-2.509830000
 H	-2.657320000	-2.508760000	-2.391780000
 C	 1.168870000	-2.636110000	-3.060290000
 H	 0.987440000	-0.522730000	-3.536620000
 C	 0.495950000	-3.789150000	-2.638270000
 H	-1.463890000	-4.676740000	-2.423320000
 H	 2.255900000	-2.635330000	-3.111680000
 H	 1.032050000	-4.716220000	-2.460530000
 C	-1.719480000	 4.385580000	-2.937430000
 H	-2.207770000	 4.275330000	-3.908520000
 H	-2.435810000	 4.142550000	-2.144320000
 H	-1.412180000	 5.426410000	-2.825320000
 C	 0.548810000	 3.837220000	-3.967480000
 H	 1.410400000	 3.158810000	-3.948760000
 H	 0.079550000	 3.780840000	-4.951710000
 H	 0.892600000	 4.862390000	-3.807370000

D 3 5 21 23 F

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

-Cu 0
LANL2DZ


