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

int6

0 1
 C	 2.784407000	 3.243801000	-0.016697000
 C	 2.817019000	 4.637218000	 0.055624000
 C	 1.622260000	 5.313755000	 0.306209000
 C	 0.450991000	 4.575776000	 0.469600000
 C	 0.507169000	 3.181118000	 0.380675000
 N	 1.661707000	 2.530528000	 0.143093000
 H	 1.603641000	 6.398104000	 0.371939000
 H	 3.689752000	 2.674371000	-0.211882000
 H	 3.752980000	 5.169501000	-0.082293000
 H	-0.504306000	 5.049729000	 0.662205000
 C	-0.775429000	 2.378657000	 0.547945000
 O	-1.841641000	 3.011426000	 0.687382000
 N	-0.620644000	 1.039587000	 0.496444000
 C	-1.745609000	 0.209572000	 0.690502000
 C	-1.984437000	-0.888182000	-0.194244000
 C	-2.586947000	 0.376269000	 1.801630000
 C	-3.010582000	-1.798960000	 0.133215000
 H	-1.336784000	-2.570956000	 1.561918000
 C	-3.609607000	-0.525271000	 2.097864000
 H	-2.398861000	 1.219646000	 2.457403000
 C	-3.810752000	-1.628101000	 1.267997000
 H	-3.206872000	-2.642723000	-0.518262000
 H	-4.227561000	-0.374957000	 2.979404000
 H	-4.592999000	-2.351169000	 1.483750000
 Cu	 1.120106000	 0.223436000	 0.232741000
 C	-2.059327000	-0.233320000	-3.443437000
 C	-2.044206000	-2.560977000	-3.099193000
 C	-1.050448000	-2.394263000	-1.945593000
 C	-1.049545000	-0.009701000	-2.318495000
 H	-1.165725000	-3.180775000	-1.195863000
 H	-0.038711000	-2.483242000	-2.363669000
 H	-3.081226000	-2.567217000	-2.728546000
 H	-1.861008000	-3.500703000	-3.631301000
 H	-1.926769000	 0.512424000	-4.234770000
 H	-3.084970000	-0.143630000	-3.046307000
 H	-0.033291000	-0.018788000	-2.735687000
 H	-1.209946000	 0.959909000	-1.847724000
 N	-1.139459000	-1.078011000	-1.308612000
 O	-1.880573000	-1.511926000	-4.054995000
 C	 1.290147000	-2.617344000	 3.454655000
 C	 0.441562000	-2.836272000	 2.203274000
 C	 0.627468000	-3.297914000	 4.669937000
 H	 0.537247000	-4.379950000	 4.516335000
 H	 1.243200000	-3.131209000	 5.561243000
 H	-0.370496000	-2.893357000	 4.861162000
 C	 1.362349000	-1.088561000	 3.682546000
 H	 2.021291000	-0.873570000	 4.531838000
 H	 1.758320000	-0.575273000	 2.797395000
 H	 0.371468000	-0.674955000	 3.895964000
 C	 2.695891000	-3.191498000	 3.234796000
 H	 2.656869000	-4.266470000	 3.026711000
 H	 3.207052000	-2.704244000	 2.400354000
 H	 3.299253000	-3.037924000	 4.136424000
 O	-0.851509000	-2.552195000	 2.415574000
 O	 0.864432000	-3.194917000	 1.113468000
 C	 4.036780000	-2.179519000	-1.725970000
 C	 5.062137000	-1.479741000	 0.268788000
 C	 3.911450000	-0.526125000	 0.577069000
 C	 2.849620000	-1.249252000	-1.495235000
 H	 3.759612000	-0.434225000	 1.655521000
 H	 4.130325000	 0.466556000	 0.172598000
 H	 4.880776000	-2.455615000	 0.750796000
 H	 6.005459000	-1.076507000	 0.650375000
 H	 4.234601000	-2.291454000	-2.796660000
 H	 3.815088000	-3.175956000	-1.305814000
 H	 3.026495000	-0.284128000	-1.981343000
 H	 1.932113000	-1.679312000	-1.903609000
 N	 2.640863000	-0.989077000	-0.043661000
 O	 5.225975000	-1.654643000	-1.137960000
 H	 2.371736000	-1.877569000	 0.393534000

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

