%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_36

0 1
 C	 0.723820000	 3.428670000	 0.717860000
 H	 1.795120000	 3.270550000	 0.880310000
 N	 0.348430000	 2.741110000	-0.544020000
 O	-0.204790000	 4.890380000	-0.903170000
 Cu	 0.209890000	 0.637140000	-0.612180000
 C	 0.418300000	 4.919500000	 0.411300000
 H	-0.281420000	 5.381260000	 1.110070000
 H	 1.323530000	 5.530290000	 0.333310000
 N	-0.700700000	 0.905650000	-2.463030000
 O	-1.276040000	 1.835870000	-4.429480000
 C	-0.164680000	 3.608760000	-1.334020000
 C	-0.724400000	 3.428130000	-2.726640000
 C	-0.869380000	 1.975110000	-3.148150000
 C	-1.284470000	 0.407710000	-4.710950000
 H	-0.465560000	 0.202700000	-5.410480000
 H	-2.238020000	 0.160590000	-5.176700000
 C	-1.076010000	-0.248540000	-3.323800000
 H	-2.016020000	-0.648940000	-2.931800000
 C	 0.681490000	-0.725170000	 0.626740000
 C	 1.000610000	-1.567250000	 1.465760000
 C	 1.331890000	-2.620620000	 2.411790000
 C	 0.185980000	-3.514710000	 2.878140000
 C	 2.175190000	-2.081840000	 3.599650000
 O	 3.530590000	-2.150750000	 3.138940000
 H	 2.088910000	-2.702250000	 4.497330000
 H	 1.936220000	-1.061860000	 3.840910000
 O	 2.374150000	-3.479510000	 1.765440000
 C	 3.594100000	-3.026280000	 2.111560000
 O	 4.633530000	-3.372000000	 1.610450000
 C	 0.474710000	-4.734400000	 3.509820000
 C	-1.889000000	-5.100880000	 3.899680000
 C	-0.561840000	-5.544830000	 3.977590000
 C	-1.145680000	-3.098580000	 2.743920000
 C	-2.177410000	-3.895130000	 3.252280000
 H	-1.364280000	-2.188810000	 2.188240000
 H	 1.510240000	-5.038580000	 3.649990000
 H	-0.328040000	-6.476950000	 4.481880000
 H	-2.696210000	-5.732410000	 4.267300000
 H	-3.205180000	-3.620720000	 3.039120000
 C	-0.052120000	 2.831390000	 1.876340000
 C	 0.611560000	 2.141290000	 2.894090000
 C	-1.452520000	 2.907680000	 1.908630000
 C	-0.103330000	 1.514770000	 3.917140000
 H	 1.694380000	 2.075210000	 2.872660000
 C	-2.172490000	 2.285640000	 2.930490000
 H	-1.977310000	 3.435930000	 1.115620000
 C	-1.497110000	 1.583130000	 3.932870000
 H	 0.437090000	 1.004230000	 4.707610000
 H	-3.258020000	 2.295690000	 2.904090000
 H	-2.062800000	 1.045820000	 4.695750000
 C	-0.028780000	-1.340800000	-3.290130000
 C	-0.397650000	-2.660380000	-3.022280000
 C	 1.322200000	-1.040070000	-3.525260000
 C	 0.567580000	-3.670680000	-2.967850000
 H	-1.447400000	-2.900730000	-2.853000000
 C	 2.285540000	-2.048340000	-3.484410000
 H	 1.612470000	-0.010650000	-3.723260000
 C	 1.910610000	-3.366880000	-3.193470000
 H	 0.258400000	-4.701420000	-2.817760000
 H	 3.333430000	-1.796760000	-3.614070000
 H	 2.664290000	-4.149400000	-3.134220000
 C	-2.133940000	 4.077210000	-2.794920000
 H	-2.546680000	 3.968970000	-3.798830000
 H	-2.814670000	 3.598910000	-2.078030000
 H	-2.064770000	 5.142480000	-2.558930000
 C	 0.238200000	 4.137440000	-3.718000000
 H	 1.227150000	 3.666620000	-3.708800000
 H	-0.165090000	 4.090030000	-4.731060000
 H	 0.344230000	 5.191260000	-3.435960000

D 3 5 21 23 F

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

-Cu 0
LANL2DZ


