%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_rli

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	 2.678614290	 6.958546050	 0.881274370
 C	 4.218548570	 8.799112010	 0.605182990
 C	 3.693491010	 6.058632570	 0.543168690
 H	 1.693379220	 6.582295420	 1.138212790
 C	 5.233767210	 7.903440250	 0.268379710
 H	 4.430537120	 9.865940690	 0.635081620
 C	 4.972083090	 6.528722930	 0.237159660
 H	 3.472818770	 4.996531660	 0.543076970
 H	 6.227272040	 8.276435850	 0.032306030
 H	 5.763502710	 5.829784520	-0.022026620
 H	 2.942055310	 7.686716960	 9.450475330
 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	 2.095692830	 6.056590350	 5.749766590
 O	 3.093482800	 4.408509090	 7.404425610
 C	 4.032659810	 4.460879690	 4.920608180
 C	 3.812817050	 4.911873450	 3.616493500
 C	 4.831089310	 3.345883100	 5.189216230
 C	 4.412454750	 4.227356550	 2.557406080
 H	 3.179441040	 5.774180890	 3.440918270
 C	 5.422744880	 2.670552580	 4.121190290
 H	 4.983758900	 3.028623710	 6.213933480
 C	 5.216752500	 3.112154040	 2.809743860
 H	 4.248141980	 4.563298680	 1.537493360
 H	 6.041619640	 1.798153210	 4.311688980
 H	 5.681227480	 2.582622120	 1.982314580

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

-Cu 0
LANL2DZ


