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

LCu2

2 2
 Cu	 0.670437000	 5.865057000	 7.408184000
 N	 1.627661000	 4.837632000	 6.062616000
 C	 1.720342000	 5.604893000	 4.808333000
 H	 2.773467000	 5.823165000	 4.614871000
 O	 1.078195000	 3.347595000	 4.525469000
 O	 0.453516000	 2.491148000	 9.175582000
 N	-0.274454000	 4.231256000	 8.020187000
 C	 1.171375000	 4.602814000	 3.770952000
 H	 0.166669000	 4.823685000	 3.407911000
 H	 1.847800000	 4.426657000	 2.938784000
 C	 1.254874000	 3.622475000	 5.788476000
 C	 1.082631000	 2.529666000	 6.822759000
 C	 0.408050000	 3.125948000	 8.034273000
 C	-0.126775000	 3.374090000	 10.197694000
 H	 0.703428000	 3.746741000	 10.800160000
 H	-0.795315000	 2.768207000	 10.802878000
 C	-0.850389000	 4.445337000	 9.358452000
 H	-1.921254000	 4.232585000	 9.306735000
 C	 0.980940000	 6.906656000	 5.080682000
 C	 1.674341000	 8.119520000	 5.107717000
 H	 2.718206000	 8.148990000	 4.811183000
 C	 1.033701000	 9.286152000	 5.516364000
 H	 1.582681000	 10.221686000	 5.525149000
 C	-0.296936000	 9.255841000	 5.929977000
 H	-0.784362000	 10.166311000	 6.260890000
 C	-1.003453000	 8.055954000	 5.910020000
 H	-2.045053000	 8.024672000	 6.210262000
 C	-0.373870000	 6.882604000	 5.484592000
 H	-0.962455000	 5.969841000	 5.399648000
 C	 0.183394000	 1.395858000	 6.287345000
 H	 0.059810000	 0.634061000	 7.059717000
 H	 0.660784000	 0.937932000	 5.418868000
 H	-0.799566000	 1.773644000	 5.995727000
 C	 2.487366000	 2.001253000	 7.196528000
 H	 2.385453000	 1.197662000	 7.928952000
 H	 3.108158000	 2.795982000	 7.617951000
 H	 2.975727000	 1.600715000	 6.304881000
 C	-0.651999000	 5.927599000	 9.629360000
 C	 0.649748000	 6.488931000	 9.547590000
 H	 1.534284000	 5.854950000	 9.645500000
 C	 0.820127000	 7.883628000	 9.555341000
 H	 1.822048000	 8.297321000	 9.518444000
 C	-0.289963000	 8.717289000	 9.629373000
 H	-0.163071000	 9.793784000	 9.624336000
 C	-1.565680000	 8.161840000	 9.731219000
 H	-2.431478000	 8.811489000	 9.802170000
 C	-1.749150000	 6.779831000	 9.717201000
 H	-2.751349000	 6.365853000	 9.758756000

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

-Cu 0
LANL2DZ

