%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_47

0 1
 C	 0.662370000	 3.379660000	 0.744300000
 H	 1.734990000	 3.246730000	 0.903440000
 N	 0.298740000	 2.704990000	-0.531830000
 O	-0.307250000	 4.842850000	-0.855780000
 Cu	 0.222200000	 0.615930000	-0.640900000
 C	 0.318340000	 4.864250000	 0.462940000
 H	-0.399050000	 5.294790000	 1.164400000
 H	 1.204090000	 5.501380000	 0.399800000
 N	-0.677270000	 0.872910000	-2.491670000
 O	-1.269100000	 1.817890000	-4.440180000
 C	-0.232780000	 3.572550000	-1.307010000
 C	-0.780950000	 3.396670000	-2.710010000
 C	-0.878260000	 1.952460000	-3.155020000
 C	-1.233830000	 0.392280000	-4.745740000
 H	-0.427490000	 0.227280000	-5.461310000
 H	-2.192830000	 0.121710000	-5.195640000
 C	-0.982810000	-0.282110000	-3.375380000
 H	-1.900810000	-0.745870000	-2.995840000
 C	 0.672910000	-0.772630000	 0.555640000
 C	 0.949190000	-1.652690000	 1.370430000
 C	 1.245000000	-2.704210000	 2.318960000
 C	 0.074630000	-3.422980000	 2.957610000
 C	 2.324880000	-2.243780000	 3.314830000
 O	 3.580880000	-2.381780000	 2.639860000
 H	 2.372040000	-2.879410000	 4.195300000
 H	 2.208790000	-1.227170000	 3.648220000
 O	 2.249340000	-3.794490000	 1.561910000
 C	 3.499700000	-3.387920000	 1.726110000
 O	 4.463450000	-3.810490000	 1.135740000
 C	 0.281630000	-4.593090000	 3.697930000
 C	-2.078110000	-4.731480000	 4.206790000
 C	-0.783560000	-5.243830000	 4.327570000
 C	-1.225470000	-2.905260000	 2.867810000
 C	-2.291300000	-3.543000000	 3.503950000
 H	-1.398610000	-1.992360000	 2.305940000
 H	 1.281600000	-5.011690000	 3.783030000
 H	-0.609790000	-6.171270000	 4.868890000
 H	-2.936830000	-5.337640000	 4.537320000
 H	-3.293340000	-3.118560000	 3.433310000
 C	-0.088510000	 2.740060000	 1.899050000
 C	 0.596100000	 2.045940000	 2.897460000
 C	-1.491150000	 2.783120000	 1.935040000
 C	-0.098010000	 1.398930000	 3.925780000
 H	 1.679920000	 1.990260000	 2.863290000
 C	-2.190340000	 2.153530000	 2.963330000
 H	-2.035770000	 3.304280000	 1.148240000
 C	-1.495120000	 1.457400000	 3.957920000
 H	 0.445560000	 0.851260000	 4.686060000
 H	-3.275750000	 2.205780000	 2.995360000
 H	-2.039780000	 0.955290000	 4.756720000
 C	 0.133490000	-1.307170000	-3.364490000
 C	-0.137590000	-2.644650000	-3.058850000
 C	 1.456250000	-0.919560000	-3.622890000
 C	 0.898380000	-3.581850000	-2.996590000
 H	-1.155190000	-2.943330000	-2.828040000
 C	 2.488040000	-1.856830000	-3.581470000
 H	 1.680470000	 0.119990000	-3.844090000
 C	 2.211600000	-3.191090000	-3.268560000
 H	 0.689880000	-4.602970000	-2.672650000
 H	 3.509810000	-1.543890000	-3.777770000
 H	 3.020740000	-3.914020000	-3.181380000
 C	-2.207250000	 4.003490000	-2.769820000
 H	-2.612900000	 3.895480000	-3.778050000
 H	-2.875130000	 3.490200000	-2.063900000
 H	-2.175850000	 5.064240000	-2.512740000
 C	 0.160200000	 4.157570000	-3.684060000
 H	 1.164260000	 3.719640000	-3.674050000
 H	-0.235360000	 4.113590000	-4.698360000
 H	 0.233610000	 5.204700000	-3.376200000

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


