%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_41

0 1
 C	 0.684790000	 3.388330000	 0.736880000
 H	 1.758130000	 3.249200000	 0.893480000
 N	 0.317150000	 2.713680000	-0.535200000
 O	-0.283510000	 4.854130000	-0.862020000
 Cu	 0.228340000	 0.616880000	-0.640140000
 C	 0.350210000	 4.874860000	 0.449790000
 H	-0.357460000	 5.314530000	 1.156430000
 H	 1.239940000	 5.506390000	 0.379160000
 N	-0.675960000	 0.882340000	-2.488930000
 O	-1.281320000	 1.826380000	-4.434780000
 C	-0.215100000	 3.581710000	-1.310710000
 C	-0.772160000	 3.405480000	-2.708570000
 C	-0.877510000	 1.958770000	-3.153710000
 C	-1.243290000	 0.402910000	-4.742070000
 H	-0.427120000	 0.236780000	-5.450660000
 H	-2.194320000	 0.131650000	-5.203070000
 C	-1.000700000	-0.270870000	-3.368960000
 H	-1.924120000	-0.718840000	-2.986520000
 C	 0.696630000	-0.763830000	 0.565870000
 C	 0.980750000	-1.636570000	 1.386680000
 C	 1.281220000	-2.678550000	 2.350810000
 C	 0.108030000	-3.445910000	 2.945110000
 C	 2.275130000	-2.154150000	 3.419000000
 O	 3.574770000	-2.338240000	 2.832340000
 H	 2.238360000	-2.737570000	 4.342900000
 H	 2.134010000	-1.102660000	 3.649360000
 O	 2.238350000	-3.684470000	 1.664580000
 C	 3.504270000	-3.309990000	 1.892000000
 O	 4.470830000	-3.769990000	 1.335370000
 C	 0.339040000	-4.628270000	 3.662190000
 C	-2.029240000	-4.837690000	 4.119470000
 C	-0.723330000	-5.323560000	 4.242470000
 C	-1.200600000	-2.965610000	 2.824070000
 C	-2.263750000	-3.653470000	 3.417790000
 H	-1.387580000	-2.054880000	 2.265300000
 H	 1.351590000	-5.012860000	 3.760460000
 H	-0.532380000	-6.246720000	 4.785600000
 H	-2.865650000	-5.417680000	 4.517120000
 H	-3.274730000	-3.270740000	 3.310440000
 C	-0.071190000	 2.758870000	 1.891960000
 C	 0.611530000	 2.062310000	 2.894230000
 C	-1.471580000	 2.809220000	 1.928610000
 C	-0.087790000	 1.427810000	 3.923770000
 H	 1.695640000	 2.000720000	 2.859830000
 C	-2.174360000	 2.183230000	 2.957620000
 H	-2.014670000	 3.335030000	 1.145520000
 C	-1.483490000	 1.486150000	 3.954880000
 H	 0.456330000	 0.884480000	 4.690780000
 H	-3.260520000	 2.228910000	 2.976780000
 H	-2.030910000	 0.987240000	 4.750770000
 C	 0.094790000	-1.316870000	-3.359850000
 C	-0.206020000	-2.655300000	-3.091730000
 C	 1.427260000	-0.949880000	-3.597860000
 C	 0.806780000	-3.618550000	-3.054890000
 H	-1.234620000	-2.944300000	-2.886710000
 C	 2.439970000	-1.909700000	-3.569490000
 H	 1.670860000	 0.091620000	-3.792850000
 C	 2.132210000	-3.246800000	-3.296920000
 H	 0.565370000	-4.651670000	-2.809950000
 H	 3.470650000	-1.611510000	-3.741810000
 H	 2.924840000	-3.990930000	-3.243620000
 C	-2.200300000	 4.015190000	-2.759540000
 H	-2.611990000	 3.906970000	-3.765260000
 H	-2.863430000	 3.506920000	-2.050300000
 H	-2.161000000	 5.075910000	-2.505220000
 C	 0.164770000	 4.163450000	-3.688940000
 H	 1.167130000	 3.721960000	-3.689230000
 H	-0.240180000	 4.117460000	-4.702320000
 H	 0.242200000	 5.211180000	-3.387590000

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


