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

LCu1R1R2_llo

0 1
 C	 5.023154000	 12.663481000	 4.741046000
 H	 6.022045000	 12.240145000	 4.599380000
 N	 4.131663000	 12.048000000	 3.725903000
 O	 4.229432000	 14.209722000	 3.126435000
 Cu	 3.564370000	 10.085755000	 3.883708000
 C	 5.001119000	 14.167872000	 4.360303000
 H	 4.485535000	 14.790718000	 5.095798000
 H	 5.990141000	 14.580522000	 4.153606000
 N	 2.454760000	 10.426281000	 2.092245000
 O	 1.664271000	 11.396834000	 0.225066000
 C	 3.766992000	 12.961739000	 2.902716000
 C	 2.882701000	 12.876714000	 1.672749000
 C	 2.346459000	 11.489103000	 1.391221000
 C	 1.124584000	 10.042554000	 0.171403000
 H	 1.334661000	 9.636538000	-0.818930000
 H	 0.044103000	 10.110422000	 0.324474000
 C	 1.843410000	 9.306564000	 1.329190000
 H	 1.130515000	 8.795778000	 1.979615000
 C	 4.038153090	 8.807770930	 5.195217810
 C	 4.295176370	 7.877050870	 5.959934730
 C	 4.597639090	 6.747920930	 6.813054550
 C	 5.962648380	 6.117357770	 6.547580180
 C	 4.381042680	 7.079615680	 8.302091940
 O	 3.074545110	 7.598528840	 8.492460010
 H	 5.155259220	 7.813267290	 8.572323600
 H	 4.529608710	 6.188602040	 8.921751320
 C	 6.595471820	 5.293196610	 7.491650830
 C	 8.428563400	 4.883609500	 5.960642520
 C	 7.820184140	 4.686479560	 7.201270390
 C	 6.583769800	 6.307185300	 5.303737960
 C	 7.802348290	 5.696815730	 5.011843920
 H	 6.098679920	 6.933960030	 4.563698340
 H	 6.142195390	 5.102417340	 8.457438530
 H	 8.294170770	 4.056334580	 7.949448820
 H	 9.379933290	 4.408597590	 5.735533080
 H	 8.260190520	 5.855777560	 4.038850810
 C	 4.559002000	 12.370618000	 6.152720000
 C	 5.474003000	 11.959226000	 7.126953000
 C	 3.209100000	 12.519537000	 6.501402000
 C	 5.050459000	 11.704614000	 8.434224000
 H	 6.520553000	 11.830809000	 6.860458000
 C	 2.783544000	 12.260859000	 7.804235000
 H	 2.489416000	 12.823082000	 5.745174000
 C	 3.704439000	 11.853808000	 8.775160000
 H	 5.770759000	 11.382584000	 9.181675000
 H	 1.733219000	 12.371031000	 8.061065000
 H	 3.372789000	 11.649528000	 9.789781000
 C	 2.930797000	 8.333382000	 0.910304000
 C	 2.799367970	 6.966943660	 1.175229250
 C	 4.106646630	 8.802881020	 0.305940120
 C	 3.822001300	 6.077081040	 0.833908190
 H	 1.905279750	 6.592762780	 1.663967380
 C	 5.129451670	 7.917444320	-0.034948350
 H	 4.225842980	 9.865535270	 0.104657590
 C	 4.988319680	 6.550164770	 0.229493260
 H	 3.698642820	 5.024335510	 1.064698410
 H	 6.035310050	 8.292937340	-0.504345760
 H	 5.786257870	 5.859871760	-0.032856990
 H	 2.506938730	 7.189816780	 7.818737890
 C	 1.673300000	 13.829944000	 1.872369000
 H	 1.078877000	 13.526128000	 2.740789000
 H	 2.025206000	 14.852736000	 2.026251000
 H	 1.035879000	 13.804957000	 0.984969000
 C	 3.724098000	 13.333810000	 0.449700000
 H	 4.582116000	 12.669784000	 0.298566000
 H	 3.107382000	 13.320225000	-0.451723000
 H	 4.090698000	 14.350208000	 0.610675000
 S	 3.287404200	 5.361110340	 6.292139280
 O	 3.615257480	 4.936339890	 4.910068780
 O	 1.915922470	 5.834490820	 6.569959900
 C	 3.607751350	 3.945857830	 7.360482260
 C	 4.531209150	 2.981951090	 6.947504290
 C	 2.944430750	 3.852127670	 8.586890750
 C	 4.796339130	 1.899596040	 7.788936740
 H	 5.021314760	 3.078332830	 5.985177420
 C	 3.217915510	 2.764446670	 9.416928790
 H	 2.238914200	 4.621830390	 8.876392200
 C	 4.143570560	 1.793177060	 9.020526800
 H	 5.508888840	 1.139852980	 7.480487160
 H	 2.706674010	 2.672874790	 10.371194530
 H	 4.353090460	 0.949043440	 9.671925370

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

-Cu 0
LANL2DZ


