%nprocshared=12
%mem=20GB
#p opt freq=NoRaman genecp scf=xqc scrf=(solvent=tetrahydrofuran,smd) nosymm guess=always Int=(grid=UltraFine) empiricaldispersion=gd3 b3lyp

LCu1_Product_R

1 1
 C	 4.588388000	 12.320472000	-5.527491000
 H	 3.782918400	 12.040593140	-6.211312560
 N	 4.029431000	 11.663278000	-4.319577000
 O	 4.170950000	 13.822899000	-3.733873000
 Cu	 3.494042000	 9.652854000	-4.251795000
 C	 4.688703000	 13.808361000	-5.097234000
 H	 4.068930000	 14.479652000	-5.695326000
 H	 5.715082000	 14.178390000	-5.067675000
 N	 2.910812000	 9.899316000	-2.276948000
 O	 2.330177000	 10.958650000	-0.389265000
 C	 3.830937000	 12.556374000	-3.423606000
 C	 3.244958000	 12.419646000	-2.032572000
 C	 2.838288000	 11.011487000	-1.635514000
 C	 1.832692000	 9.605218000	-0.193248000
 H	 2.145083000	 9.270610000	 0.796059000
 H	 0.741278000	 9.642794000	-0.252550000
 C	 2.472244000	 8.819531000	-1.363806000
 H	 3.413319230	 8.263228160	-1.326640670
 C	 2.300564000	 8.929186000	-5.910016000
 C	 3.208579000	 8.115758000	-5.993255000
 C	 4.267484000	 7.138837000	-6.219887000
 C	 4.154714000	 5.903309000	-5.341686000
 C	 4.400043000	 6.838027000	-7.748534000
 O	 4.256753000	 7.969048000	-8.566286000
 H	 5.356730000	 6.324754000	-7.919597000
 H	 3.595621000	 6.144716000	-8.008407000
 C	 4.593708000	 4.652326000	-5.802394000
 C	 4.085168000	 3.658920000	-3.654306000
 C	 4.554109000	 3.538305000	-4.963548000
 C	 3.683943000	 6.015562000	-4.025048000
 C	 3.649656000	 4.901326000	-3.188215000
 H	 3.365265000	 6.979069000	-3.641757000
 H	 4.984124000	 4.532712000	-6.806062000
 H	 4.898351000	 2.577727000	-5.335807000
 H	 4.061954000	 2.792008000	-2.999880000
 H	 3.294885000	 5.011702000	-2.169441000
 C	 5.908517290	 11.823022340	-6.080266420
 C	 6.034744390	 11.495204110	-7.433157140
 C	 7.032209510	 11.734093980	-5.246020010
 C	 7.266666510	 11.084445390	-7.950416200
 H	 5.169860750	 11.578946540	-8.085050740
 C	 8.263069980	 11.325655140	-5.760045070
 H	 6.945203070	 11.991765760	-4.192687490
 C	 8.382828830	 11.001470570	-7.116440560
 H	 7.355474250	 10.842437460	-9.005342580
 H	 9.127736160	 11.258121670	-5.104930370
 H	 9.341833880	 10.686169490	-7.518551070
 C	 1.348108380	 7.872251720	-1.761014020
 C	 1.340876150	 6.580385260	-1.212783430
 C	 0.342942270	 8.233663400	-2.663066330
 C	 0.346452490	 5.665902760	-1.560998610
 H	 2.118593430	 6.291396730	-0.508850740
 C	-0.655451010	 7.317218150	-3.010636680
 H	 0.328202980	 9.231951160	-3.084428270
 C	-0.659590160	 6.034440600	-2.460321220
 H	 0.353341280	 4.669625870	-1.126955410
 H	-1.430277650	 7.612236150	-3.713297160
 H	-1.436860590	 5.325006500	-2.731079910
 H	 4.975305000	 8.585563000	-8.336613000
 C	 1.983530000	 13.324268000	-1.955954000
 H	 1.221640000	 12.988341000	-2.667958000
 H	 2.252865000	 14.356140000	-2.191540000
 H	 1.562569000	 13.289974000	-0.948882000
 C	 4.313936000	 12.905372000	-1.012513000
 H	 5.205102000	 12.269744000	-1.051470000
 H	 3.903996000	 12.875157000	-0.000713000
 H	 4.603522000	 13.932376000	-1.245763000
 S	 5.894699000	 8.061816000	-5.707893000
 O	 6.320706000	 8.897283000	-6.858313000
 O	 5.603864000	 8.729923000	-4.409160000
 C	 7.114030000	 6.797045000	-5.419383000
 C	 7.925971000	 6.392312000	-6.482924000
 C	 7.185469000	 6.207539000	-4.153356000
 C	 8.838429000	 5.360097000	-6.262761000
 H	 7.853648000	 6.878902000	-7.449610000
 C	 8.102604000	 5.178200000	-3.954018000
 H	 6.535236000	 6.538551000	-3.352308000
 C	 8.922310000	 4.754360000	-5.005446000
 H	 9.483097000	 5.032099000	-7.072441000
 H	 8.172450000	 4.706087000	-2.978798000
 H	 9.632265000	 3.948369000	-4.843699000
 H	 1.433206000	 9.544279000	-6.052778000

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

-Cu 0
LANL2DZ


