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

int8

0 1
 C	-3.638597000	 0.226321000	 0.073259000
 C	-2.090551000	 0.279046000	 0.065058000
 C	-4.144110000	 1.218657000	-0.993242000
 H	-3.826048000	 0.913490000	-1.998649000
 H	-5.240518000	 1.264024000	-0.986079000
 H	-3.752449000	 2.222827000	-0.802943000
 C	-4.111016000	 0.685030000	 1.467635000
 H	-5.206907000	 0.723376000	 1.508276000
 H	-3.768530000	-0.008322000	 2.246726000
 H	-3.717563000	 1.679364000	 1.700833000
 C	-4.180457000	-1.178400000	-0.223777000
 H	-3.858994000	-1.528633000	-1.210373000
 H	-3.832215000	-1.904590000	 0.518427000
 H	-5.278190000	-1.170227000	-0.205307000
 O	-1.523935000	 1.356251000	 0.303988000
 O	-1.484720000	-0.840208000	-0.198795000
 Cu	 0.390255000	-0.817309000	-0.165829000
 C	 4.277855000	 0.151942000	 1.019555000
 C	 3.271524000	 1.306522000	-0.827617000
 C	 2.943249000	-0.102513000	-1.292327000
 C	 2.878373000	-0.427580000	 1.169483000
 H	 2.241053000	-0.075983000	-2.127951000
 H	 3.860639000	-0.600478000	-1.625769000
 H	 2.353817000	 1.796298000	-0.464533000
 H	 3.655944000	 1.894318000	-1.667219000
 H	 4.960014000	-0.609840000	 0.611185000
 H	 4.662493000	 0.455673000	 1.998903000
 H	 2.872826000	-1.282895000	 1.849062000
 H	 2.213547000	 0.336544000	 1.579634000
 N	 2.332359000	-0.879322000	-0.156931000
 O	 4.279189000	 1.318414000	 0.189283000
 H	 2.610314000	-1.853993000	-0.282457000

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




