%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

1 1
 Cu	 0.202772000	 6.279512000	 7.336623000
 N	 1.262830000	 5.371630000	 5.922261000
 C	 1.714096000	 5.910229000	 4.626186000
 H	 2.698565000	 6.362836000	 4.777761000
 O	 1.586368000	 3.554583000	 4.679749000
 O	 0.141891000	 2.639704000	 9.119816000
 N	-0.336215000	 4.691145000	 8.402930000
 C	 1.822806000	 4.638885000	 3.752671000
 H	 1.054828000	 4.583788000	 2.978404000
 H	 2.808619000	 4.493662000	 3.313671000
 C	 1.228859000	 4.090370000	 5.845442000
 C	 0.920182000	 3.052715000	 6.910967000
 C	 0.215365000	 3.557969000	 8.158168000
 C	-0.526232000	 3.238329000	 10.253108000
 H	 0.177192000	 3.242642000	 11.087478000
 H	-1.389315000	 2.619209000	 10.495024000
 C	-0.905314000	 4.656476000	 9.763013000
 H	-1.990494000	 4.761005000	 9.678124000
 C	 0.758448000	 6.961965000	 4.110409000
 C	 1.235940000	 8.200519000	 3.683834000
 H	 2.302336000	 8.407975000	 3.718396000
 C	 0.354149000	 9.172014000	 3.213743000
 H	 0.737088000	 10.132185000	 2.882300000
 C	-1.013347000	 8.912656000	 3.174085000
 H	-1.700929000	 9.670100000	 2.810854000
 C	-1.497906000	 7.676815000	 3.600995000
 H	-2.562875000	 7.468368000	 3.569675000
 C	-0.616241000	 6.705254000	 4.064693000
 H	-1.001313000	 5.741150000	 4.389635000
 C	 0.014031000	 1.956735000	 6.298554000
 H	-0.190981000	 1.192163000	 7.050349000
 H	 0.518012000	 1.490148000	 5.451032000
 H	-0.934789000	 2.380285000	 5.956233000
 C	 2.283055000	 2.446109000	 7.332794000
 H	 2.121351000	 1.624402000	 8.032185000
 H	 2.913862000	 3.201274000	 7.811362000
 H	 2.798888000	 2.061317000	 6.450452000
 C	-0.358547000	 5.792094000	 10.599108000
 C	 1.022920000	 5.990357000	 10.698466000
 H	 1.706798000	 5.320264000	 10.181972000
 C	 1.530263000	 7.040608000	 11.456623000
 H	 2.603813000	 7.185383000	 11.528283000
 C	 0.660876000	 7.902221000	 12.125061000
 H	 1.056374000	 8.720924000	 12.718108000
 C	-0.714754000	 7.709141000	 12.030687000
 H	-1.395926000	 8.376843000	 12.548955000
 C	-1.222078000	 6.658996000	 11.267271000
 H	-2.296684000	 6.513844000	 11.192545000

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

-Cu 0
LANL2DZ

