%nprocshared=24
%mem=90GB
#p b3lyp gen EmpiricalDispersion=GD3 scrf=(smd,solvent=acetonitrile) scf=xqc nosymm integral(ultrafine)

int5-meta

0 3
 C	 2.576984000	 3.542627000	 0.196114000
 C	 2.710966000	 4.925627000	 0.304146000
 C	 1.559750000	 5.700826000	 0.455572000
 C	 0.312063000	 5.075444000	 0.495249000
 C	 0.254698000	 3.690825000	 0.383928000
 N	 1.374092000	 2.954419000	 0.237943000
 H	 1.633578000	 6.780740000	 0.541946000
 H	 3.429205000	 2.882143000	 0.075579000
 H	 3.696824000	 5.376299000	 0.270014000
 H	-0.611337000	 5.630987000	 0.610348000
 C	-1.056956000	 2.934707000	 0.422908000
 O	-2.118695000	 3.561624000	 0.549593000
 N	-0.885190000	 1.595847000	 0.336431000
 C	-2.001066000	 0.724661000	 0.308673000
 C	-2.000714000	-0.392279000	 1.106214000
 C	-3.084054000	 0.962667000	-0.594159000
 C	-3.079259000	-1.442549000	 1.072017000
 H	-1.149418000	-0.587061000	 1.751911000
 C	-4.178917000	 0.067929000	-0.628906000
 H	-3.066224000	 1.841933000	-1.226985000
 C	-4.220251000	-1.052565000	 0.160163000
 H	-3.483955000	-1.551713000	 2.093631000
 H	-5.008418000	 0.285812000	-1.299138000
 H	-5.085064000	-1.708223000	 0.135699000
 Cu	 0.955126000	 1.006911000	 0.093809000
 C	-2.828123000	-3.569354000	-1.535332000
 C	-4.107915000	-4.552802000	 0.179840000
 C	-3.178797000	-3.962122000	 1.246826000
 C	-1.856125000	-2.968448000	-0.517514000
 H	-3.745667000	-3.732078000	 2.156137000
 H	-2.436049000	-4.734012000	 1.500548000
 H	-4.967511000	-3.888837000	-0.002863000
 H	-4.491711000	-5.526779000	 0.504041000
 H	-2.303858000	-3.831973000	-2.461236000
 H	-3.625183000	-2.849342000	-1.778619000
 H	-1.011861000	-3.665128000	-0.405858000
 H	-1.450290000	-2.019220000	-0.877503000
 N	-2.449430000	-2.769103000	 0.809746000
 O	-3.401026000	-4.782849000	-1.039571000
 C	 2.963248000	-2.318963000	-0.262704000
 C	 2.204140000	-1.009774000	-0.106775000
 C	 2.427262000	-3.320979000	 0.780113000
 H	 1.351875000	-3.480982000	 0.655811000
 H	 2.938124000	-4.283683000	 0.663176000
 H	 2.605657000	-2.962111000	 1.800998000
 C	 4.470573000	-2.100456000	-0.075130000
 H	 4.999238000	-3.053031000	-0.196514000
 H	 4.864915000	-1.392708000	-0.811391000
 H	 4.693194000	-1.709852000	 0.923951000
 C	 2.670383000	-2.842906000	-1.687358000
 H	 1.597330000	-3.002409000	-1.834259000
 H	 3.023259000	-2.136370000	-2.448373000
 H	 3.187078000	-3.797264000	-1.841666000
 O	 0.926276000	-1.010814000	-0.086710000
 O	 2.796114000	 0.118662000	-0.014543000

-Cu -N -C -H -O 0
cc-pVTZ
****

