%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_R1H

1 1
 C	 4.246631000	 11.808988000	 5.718199000
 H	 4.351949000	 11.006243000	 6.449224000
 N	 3.549380000	 11.298601000	 4.516645000
 O	 5.474270000	 12.130694000	 3.721794000
 Cu	 1.728911000	 10.455868000	 4.413831000
 C	 5.601720000	 12.301377000	 5.172576000
 H	 5.804665000	 13.355999000	 5.364280000
 H	 6.449961000	 11.694333000	 5.496616000
 N	 1.766349000	 10.270413000	 2.405233000
 O	 2.571600000	 10.547110000	 0.331591000
 C	 4.297958000	 11.535297000	 3.499349000
 C	 4.056101000	 11.235834000	 2.051571000
 C	 2.732917000	 10.660375000	 1.654774000
 C	 1.289553000	 9.867807000	 0.117569000
 H	 1.511909000	 8.876751000	-0.285224000
 H	 0.724411000	 10.449131000	-0.611427000
 C	 0.663481000	 9.829612000	 1.525718000
 H	-0.175416000	 10.523771000	 1.638291000
 C	-0.007148000	 9.755389000	 5.197127000
 C	 0.658720000	 10.185166000	 6.146699000
 C	 1.128530000	 10.542174000	 7.505144000
 C	 0.554160930	 11.852488150	 8.012937780
 C	 2.672157160	 10.443305190	 7.597198770
 O	 2.887364670	 9.061718650	 7.943275000
 H	 3.059700760	 11.076449780	 8.399954800
 H	 3.177632360	 10.662602820	 6.657704690
 O	 0.740753290	 9.459779510	 8.406817720
 C	 1.768418900	 8.571511550	 8.513360290
 O	 1.674270000	 7.508793740	 9.039110320
 C	 0.618023880	 12.132473820	 9.384703900
 C	-0.509476170	 14.242164770	 9.011243080
 C	 0.084525510	 13.321323940	 9.880637870
 C	-0.036879900	 12.775462100	 7.144315860
 C	-0.565083470	 13.968714830	 7.643477170
 H	-0.094011240	 12.562121590	 6.081342090
 H	 1.066118640	 11.413734320	 10.064119790
 H	 0.129817410	 13.527231590	 10.946180840
 H	-0.925101140	 15.167800980	 9.399275720
 H	-1.022063260	 14.679617800	 6.960962920
 H	-0.793415000	 9.323948000	 4.604221000
 C	 3.398494890	 12.928430300	 6.349953770
 C	 3.456761630	 13.155507820	 7.725276350
 C	 2.573610960	 13.716117490	 5.547247630
 C	 2.689473940	 14.169961130	 8.297729160
 H	 4.107513690	 12.534662330	 8.357902200
 C	 1.805595130	 14.730679050	 6.119989340
 H	 2.528107980	 13.537601520	 4.463108320
 C	 1.863539500	 14.957334640	 7.495055410
 H	 2.735141460	 14.348954040	 9.381705650
 H	 1.155232980	 15.351575320	 5.486891220
 H	 1.258368230	 15.756846210	 7.946744690
 C	 0.192953620	 8.421220420	 1.933930140
 C	-1.007686930	 8.260649250	 2.626137170
 C	 0.966016280	 7.306383680	 1.610302430
 C	-1.434692720	 6.985105630	 2.995193620
 H	-1.617252680	 9.139692900	 2.880803010
 C	 0.539105390	 6.030326290	 1.979952510
 H	 1.912075520	 7.432813280	 1.064148610
 C	-0.661023890	 5.869912520	 2.672407680
 H	-2.380870850	 6.858385030	 3.540920530
 H	 1.148834630	 5.151471570	 1.724725240
 H	-0.997748090	 4.864361200	 2.963882500
 C	 4.273055610	 12.535614320	 1.254638240
 H	 4.299437290	 12.312386490	 0.208515240
 H	 3.470544110	 13.214584390	 1.454325350
 H	 5.199926580	 12.982965820	 1.547361380
 C	 5.160836550	 10.277336960	 1.569447800
 H	 5.127954810	 9.376459550	 2.145849290
 H	 5.006126810	 10.045615880	 0.536360080
 H	 6.116003740	 10.743967030	 1.691152470

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

-Cu 0
LANL2DZ


