%nprocshared=28
%mem=90GB
#p b3lyp scf=xqc nosymm gen EmpiricalDispersion=GD3 scrf=(smd,solvent=acetonitrile) integral(ultrafine)

cu2-nh-prod_sp

0 2
 C	 1.795768000	 2.292245000	-0.098190000
 C	 2.354133000	 3.505477000	-0.497157000
 C	 1.548149000	 4.419610000	-1.177908000
 C	 0.216768000	 4.092875000	-1.435776000
 C	-0.270461000	 2.860854000	-1.004806000
 N	 0.514663000	 1.983467000	-0.348332000
 H	 1.952118000	 5.373456000	-1.504306000
 H	 2.373865000	 1.542331000	 0.432249000
 H	 3.394452000	 3.720546000	-0.277399000
 H	-0.452041000	 4.764293000	-1.961360000
 C	-1.708589000	 2.455650000	-1.265409000
 O	-2.442915000	 3.249203000	-1.879787000
 N	-2.011907000	 1.242799000	-0.752334000
 C	-3.288489000	 0.669249000	-0.908166000
 C	-3.730962000	-0.228324000	 0.085882000
 C	-4.131572000	 0.892324000	-2.017976000
 C	-4.957636000	-0.881440000	-0.020707000
 H	-3.086577000	-0.408782000	 0.941938000
 C	-5.357664000	 0.231229000	-2.119391000
 H	-3.820892000	 1.582190000	-2.791506000
 C	-5.783485000	-0.657141000	-1.127393000
 H	-5.267544000	-1.567699000	 0.763944000
 H	-5.985650000	 0.414775000	-2.988445000
 H	-6.739978000	-1.165498000	-1.215015000
 Cu	-0.492169000	 0.259135000	 0.104615000
 C	-0.903448000	-3.611020000	 0.259432000
 C	-1.439906000	-2.770638000	 2.389539000
 C	-0.353516000	-1.690584000	 2.261637000
 C	 0.203580000	-2.557999000	 0.096845000
 H	-0.654421000	-0.792352000	 2.809926000
 H	 0.574005000	-2.080981000	 2.713576000
 H	-2.405236000	-2.364663000	 2.046620000
 H	-1.543959000	-3.090673000	 3.431370000
 H	-0.629533000	-4.542705000	-0.246056000
 H	-1.839931000	-3.230478000	-0.181234000
 H	 1.148609000	-2.993824000	 0.462722000
 H	 0.324989000	-2.302086000	-0.960294000
 N	-0.127295000	-1.363958000	 0.860990000
 O	-1.097938000	-3.929229000	 1.634482000

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

