%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_65

0 1
 C	 0.572230000	 3.342870000	 0.784190000
 H	 1.645290000	 3.229590000	 0.952960000
 N	 0.239310000	 2.675610000	-0.503560000
 O	-0.366810000	 4.808890000	-0.836400000
 Cu	 0.185480000	 0.608510000	-0.634590000
 C	 0.204080000	 4.823700000	 0.506180000
 H	-0.550330000	 5.225880000	 1.183920000
 H	 1.075230000	 5.482810000	 0.491690000
 N	-0.694060000	 0.847030000	-2.485160000
 O	-1.203580000	 1.785180000	-4.455470000
 C	-0.273610000	 3.543720000	-1.291420000
 C	-0.775010000	 3.367130000	-2.710310000
 C	-0.865590000	 1.921770000	-3.158820000
 C	-1.220370000	 0.355520000	-4.745120000
 H	-0.454610000	 0.164900000	-5.498530000
 H	-2.203230000	 0.110270000	-5.151700000
 C	-0.937580000	-0.315460000	-3.382850000
 H	-1.831310000	-0.827680000	-3.011270000
 C	 0.600740000	-0.791360000	 0.531380000
 C	 0.857790000	-1.701860000	 1.334450000
 C	 1.114440000	-2.775660000	 2.222950000
 C	-0.035960000	-3.357740000	 2.975540000
 C	 2.434000000	-2.638920000	 2.930870000
 O	 3.513430000	-2.509030000	 2.026090000
 H	 2.686380000	-3.523900000	 3.480040000
 H	 2.453230000	-1.872970000	 3.675690000
 O	 2.423170000	-4.227260000	 1.120350000
 C	 3.532800000	-3.570600000	 1.113650000
 O	 4.526580000	-3.716920000	 0.440260000
 C	 0.120650000	-4.476560000	 3.803080000
 C	-2.204660000	-4.383730000	 4.462920000
 C	-0.943090000	-4.971880000	 4.571700000
 C	-1.286700000	-2.704060000	 2.984790000
 C	-2.350820000	-3.200430000	 3.735900000
 H	-1.413590000	-1.781150000	 2.430410000
 H	 1.085510000	-4.971200000	 3.891650000
 H	-0.815440000	-5.868380000	 5.176930000
 H	-3.078080000	-4.864280000	 4.918020000
 H	-3.297830000	-2.662260000	 3.761980000
 C	-0.180170000	 2.679700000	 1.921800000
 C	 0.507380000	 1.982580000	 2.921440000
 C	-1.583450000	 2.688220000	 1.938500000
 C	-0.186610000	 1.298240000	 3.923930000
 H	 1.592480000	 1.961970000	 2.905210000
 C	-2.280430000	 2.044010000	 2.959930000
 H	-2.130470000	 3.203150000	 1.151400000
 C	-1.584670000	 1.336710000	 3.947850000
 H	 0.360280000	 0.747390000	 4.683200000
 H	-3.367090000	 2.094390000	 2.989820000
 H	-2.128920000	 0.810350000	 4.727610000
 C	 0.237860000	-1.268880000	-3.353280000
 C	 0.071450000	-2.578170000	-2.892350000
 C	 1.520700000	-0.829770000	-3.705120000
 C	 1.177790000	-3.422720000	-2.714750000
 H	-0.909230000	-2.907290000	-2.555690000
 C	 2.612610000	-1.695380000	-3.619870000
 H	 1.666930000	 0.186880000	-4.053430000
 C	 2.443060000	-2.994870000	-3.126900000
 H	 1.078880000	-4.374270000	-2.188780000
 H	 3.602030000	-1.347780000	-3.911070000
 H	 3.308520000	-3.626790000	-2.937800000
 C	-2.197960000	 3.983110000	-2.820450000
 H	-2.566550000	 3.875600000	-3.843430000
 H	-2.892580000	 3.480490000	-2.139160000
 H	-2.164710000	 5.045180000	-2.565590000
 C	 0.204880000	 4.122630000	-3.650790000
 H	 1.203900000	 3.677850000	-3.608350000
 H	-0.157820000	 4.078420000	-4.680560000
 H	 0.273820000	 5.169010000	-3.345730000

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


