%nprocshared=12
%mem=20GB
#p scf=xqc nosymm b3lyp gen EmpiricalDispersion=GD3 scrf=(smd,solvent=acetonitrile) integral=ultrafine

int10

0 2
 C	 1.866686000	 2.517912000	 0.027966000
 C	 2.325338000	 3.755723000	-0.419253000
 C	 1.453867000	 4.571491000	-1.143095000
 C	 0.153387000	 4.129396000	-1.389488000
 C	-0.234903000	 2.884128000	-0.904041000
 N	 0.616044000	 2.098136000	-0.214805000
 H	 1.783451000	 5.539050000	-1.509942000
 H	 2.500892000	 1.837958000	 0.585843000
 H	 3.343391000	 4.062944000	-0.205023000
 H	-0.564153000	 4.721231000	-1.945900000
 C	-1.633973000	 2.346986000	-1.129265000
 O	-2.431108000	 2.996038000	-1.824377000
 N	-1.850915000	 1.180665000	-0.482917000
 C	-3.071469000	 0.491985000	-0.658379000
 C	-3.806925000	 0.099745000	 0.471467000
 C	-3.532356000	 0.113172000	-1.931827000
 C	-4.967003000	-0.665619000	 0.335765000
 H	-3.448124000	 0.392369000	 1.454698000
 C	-4.692595000	-0.650772000	-2.064026000
 H	-2.968345000	 0.416116000	-2.808580000
 C	-5.414592000	-1.047770000	-0.932535000
 H	-5.518958000	-0.965574000	 1.223028000
 H	-5.031346000	-0.942863000	-3.055143000
 H	-6.314653000	-1.647148000	-1.039506000
 Cu	-0.227758000	 0.295796000	 0.220484000
 C	 3.948593000	-1.264418000	-0.652722000
 C	 3.914289000	-0.594189000	 0.729233000
 C	 2.889620000	-0.624596000	-1.575680000
 H	 3.071809000	 0.449049000	-1.698758000
 H	 2.937040000	-1.095493000	-2.564232000
 H	 1.872136000	-0.753995000	-1.196206000
 C	 3.664143000	-2.771081000	-0.468728000
 H	 3.704183000	-3.274142000	-1.441601000
 H	 4.412076000	-3.232978000	 0.186581000
 H	 2.675758000	-2.953865000	-0.037665000
 C	 5.343387000	-1.071289000	-1.264483000
 H	 5.570630000	-0.009138000	-1.403322000
 H	 6.119634000	-1.501395000	-0.623796000
 H	 5.388307000	-1.564899000	-2.241933000
 O	 2.758879000	-0.650062000	 1.426659000
 O	 4.870604000	-0.042280000	 1.237999000
 C	-1.590771000	-3.072869000	-0.089541000
 C	-1.611582000	-2.485742000	 2.190738000
 C	-0.187407000	-1.924826000	 2.080057000
 C	-0.156955000	-2.544596000	-0.233333000
 H	-0.057596000	-1.097101000	 2.784649000
 H	 0.523828000	-2.723422000	 2.347878000
 H	-2.336326000	-1.672492000	 2.034204000
 H	-1.778507000	-2.921948000	 3.181156000
 H	-1.752659000	-3.932105000	-0.748722000
 H	-2.305910000	-2.280206000	-0.357680000
 H	 0.534671000	-3.379446000	-0.039731000
 H	 0.011040000	-2.187319000	-1.254120000
 N	 0.080951000	-1.460712000	 0.718674000
 O	-1.829273000	-3.526675000	 1.241444000
 H	 1.973427000	-1.009946000	 0.934851000

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

