%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

1 1
 C	 4.469976000	 12.132881000	 5.799774000
 H	 5.398365000	 11.657408000	 6.122312000
 N	 4.130921000	 11.623316000	 4.439510000
 O	 4.177841000	 13.860077000	 4.205566000
 Cu	 3.488234000	 9.598599000	 4.113267000
 C	 4.686782000	 13.644566000	 5.553801000
 H	 4.134488000	 14.296360000	 6.231727000
 H	 5.744347000	 13.921524000	 5.555452000
 N	 3.025708000	 10.194149000	 2.198303000
 O	 2.887543000	 11.405464000	 0.312153000
 C	 3.958153000	 12.635233000	 3.675247000
 C	 3.546674000	 12.681507000	 2.218395000
 C	 3.158352000	 11.337642000	 1.632499000
 C	 2.610993000	 10.048599000	-0.135526000
 H	 3.430675000	 9.742065000	-0.791129000
 H	 1.672705000	 10.058450000	-0.691885000
 C	 2.551775000	 9.226928000	 1.179473000
 H	 1.516414000	 8.972643000	 1.430155000
 C	 2.467938290	 9.001591360	 5.593266950
 C	 3.325441220	 8.152700440	 5.841991420
 C	 4.435628070	 7.230606560	 5.927780290
 C	 4.188810400	 5.873593450	 5.278113880
 C	 5.029556830	 7.129612940	 7.369133130
 O	 5.133744690	 8.367260290	 8.040646700
 H	 6.003660300	 6.621958940	 7.330836380
 H	 4.346423880	 6.500011150	 7.947419020
 C	 5.044082220	 4.783949590	 5.513392080
 C	 3.746092970	 3.398550070	 4.008876500
 C	 4.820301790	 3.556681550	 4.887852080
 C	 3.118493760	 5.706867930	 4.385884980
 C	 2.898358320	 4.479778650	 3.759509900
 H	 2.457042670	 6.543125280	 4.185965940
 H	 5.898235500	 4.886314910	 6.171456200
 H	 5.491068280	 2.724948070	 5.086760240
 H	 3.572938540	 2.441870580	 3.522743990
 H	 2.058834400	 4.373767290	 3.078756750
 C	 3.359838000	 11.759487000	 6.763131000
 C	 3.529770000	 10.676144000	 7.631820000
 C	 2.123599000	 12.419848000	 6.724987000
 C	 2.482116000	 10.256728000	 8.455632000
 H	 4.472955000	 10.137684000	 7.638372000
 C	 1.079269000	 12.010568000	 7.555275000
 H	 1.969847000	 13.249489000	 6.038240000
 C	 1.257328000	 10.926737000	 8.422291000
 H	 2.621898000	 9.392203000	 9.097386000
 H	 0.126218000	 12.532280000	 7.521994000
 H	 0.440758000	 10.603116000	 9.062573000
 C	 3.368073000	 7.951960000	 1.116622000
 C	 2.775679000	 6.786509000	 0.614283000
 C	 4.717995000	 7.925751000	 1.488479000
 C	 3.523114000	 5.615320000	 0.473023000
 H	 1.724800000	 6.796107000	 0.333439000
 C	 5.463024000	 6.751591000	 1.361651000
 H	 5.180408000	 8.817723000	 1.898906000
 C	 4.870399000	 5.596553000	 0.843804000
 H	 3.052308000	 4.718335000	 0.079374000
 H	 6.501533000	 6.739776000	 1.678950000
 H	 5.453489000	 4.686123000	 0.734395000
 H	 5.634897760	 8.962815100	 7.452400540
 C	 2.318158000	 13.623473000	 2.082664000
 H	 1.475853000	 13.249191000	 2.674400000
 H	 2.576919000	 14.625019000	 2.432969000
 H	 2.012942000	 13.683759000	 1.035295000
 C	 4.743249000	 13.248253000	 1.406343000
 H	 5.605094000	 12.574106000	 1.461833000
 H	 4.461100000	 13.369917000	 0.358268000
 H	 5.033096000	 14.221489000	 1.809725000
 S	 5.868558720	 8.058330860	 4.905645290
 O	 6.263632880	 9.330197350	 5.552098910
 O	 5.400102260	 8.109097940	 3.487934430
 C	 7.259126180	 6.929388860	 4.979005760
 C	 8.205462730	 7.082465960	 5.994747420
 C	 7.348149100	 5.902633550	 4.036378360
 C	 9.276994430	 6.188949320	 6.051058970
 H	 8.110074310	 7.888087910	 6.714508680
 C	 8.419999140	 5.013633120	 4.107138830
 H	 6.584905950	 5.799069900	 3.277914680
 C	 9.383000040	 5.158430220	 5.110870410
 H	 10.027663360	 6.298318420	 6.828370060
 H	 8.491781620	 4.206649260	 3.383508500
 H	 10.217345790	 4.464286610	 5.163897190
 H	 1.723183310	 9.738866670	 5.377245790

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

-Cu 0
LANL2DZ


