%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_67

0 1
 C	 0.563340000	 3.339380000	 0.789190000
 H	 1.634740000	 3.228370000	 0.959770000
 N	 0.230790000	 2.672680000	-0.501590000
 O	-0.372320000	 4.805400000	-0.833710000
 Cu	 0.181850000	 0.608180000	-0.633610000
 C	 0.191100000	 4.819340000	 0.511350000
 H	-0.566570000	 5.216590000	 1.187840000
 H	 1.062780000	 5.478890000	 0.504180000
 N	-0.696960000	 0.844240000	-2.482510000
 O	-1.194870000	 1.783020000	-4.456710000
 C	-0.276800000	 3.540820000	-1.290130000
 C	-0.771520000	 3.362200000	-2.709470000
 C	-0.863080000	 1.918590000	-3.157190000
 C	-1.218520000	 0.350630000	-4.742820000
 H	-0.460220000	 0.159450000	-5.502330000
 H	-2.204950000	 0.110500000	-5.144760000
 C	-0.934240000	-0.319500000	-3.384650000
 H	-1.824170000	-0.836240000	-3.011740000
 C	 0.594760000	-0.794330000	 0.528410000
 C	 0.850610000	-1.708390000	 1.329990000
 C	 1.101120000	-2.783750000	 2.214830000
 C	-0.047080000	-3.349780000	 2.976880000
 C	 2.437690000	-2.687150000	 2.887730000
 O	 3.498640000	-2.525100000	 1.973280000
 H	 2.694580000	-3.597000000	 3.390810000
 H	 2.477220000	-1.959460000	 3.671780000
 O	 2.454410000	-4.275870000	 1.067370000
 C	 3.538680000	-3.585500000	 1.051290000
 O	 4.537830000	-3.692300000	 0.376080000
 C	 0.104530000	-4.463370000	 3.813140000
 C	-2.217460000	-4.353260000	 4.479750000
 C	-0.958050000	-4.943990000	 4.592530000
 C	-1.292430000	-2.683260000	 2.993780000
 C	-2.352800000	-3.165870000	 3.756340000
 H	-1.413360000	-1.759340000	 2.440390000
 H	 1.067640000	-4.960220000	 3.907660000
 H	-0.825620000	-5.820400000	 5.226770000
 H	-3.079460000	-4.794780000	 4.985830000
 H	-3.296400000	-2.620460000	 3.790060000
 C	-0.189210000	 2.672860000	 1.923940000
 C	 0.497010000	 1.974120000	 2.924600000
 C	-1.595110000	 2.676620000	 1.938330000
 C	-0.198060000	 1.285960000	 3.923670000
 H	 1.580880000	 1.958800000	 2.910430000
 C	-2.292720000	 2.031730000	 2.957580000
 H	-2.140010000	 3.191510000	 1.150280000
 C	-1.598720000	 1.321650000	 3.944470000
 H	 0.348030000	 0.737000000	 4.684140000
 H	-3.380640000	 2.079770000	 2.985520000
 H	-2.140540000	 0.792610000	 4.722610000
 C	 0.248710000	-1.263840000	-3.351480000
 C	 0.092510000	-2.568060000	-2.874450000
 C	 1.525550000	-0.820110000	-3.712920000
 C	 1.205530000	-3.404830000	-2.686600000
 H	-0.883960000	-2.901490000	-2.526150000
 C	 2.624270000	-1.680520000	-3.624490000
 H	 1.665170000	 0.191340000	-4.076370000
 C	 2.464180000	-2.973350000	-3.113360000
 H	 1.116850000	-4.348060000	-2.148510000
 H	 3.609810000	-1.329030000	-3.928240000
 H	 3.336230000	-3.594120000	-2.915700000
 C	-2.196010000	 3.981910000	-2.826750000
 H	-2.559040000	 3.876040000	-3.851770000
 H	-2.892940000	 3.482100000	-2.146500000
 H	-2.160360000	 5.044820000	-2.570250000
 C	 0.213590000	 4.117570000	-3.647080000
 H	 1.210150000	 3.671900000	-3.600010000
 H	-0.146780000	 4.073800000	-4.678800000
 H	 0.280230000	 5.162340000	-3.341950000

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


