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

cu2-morph-pic-h_sp

0 2
 C	-2.567660000	-2.242124000	 0.152947000
 C	-3.961082000	-2.166978000	 0.111335000
 C	-4.556142000	-0.911943000	-0.016993000
 C	-3.738869000	 0.215670000	-0.093347000
 C	-2.354350000	 0.056684000	-0.039857000
 N	-1.776931000	-1.163178000	 0.076929000
 H	-5.637236000	-0.813247000	-0.055788000
 H	-2.065766000	-3.199797000	 0.250738000
 H	-4.554457000	-3.073188000	 0.176501000
 H	-4.143576000	 1.216615000	-0.193923000
 C	-1.442008000	 1.271856000	-0.127278000
 O	-1.908587000	 2.412146000	-0.312872000
 N	-0.171570000	 0.898518000	 0.016091000
 C	 1.046188000	 1.570475000	-0.133270000
 C	 2.062006000	 0.580953000	-0.111759000
 C	 1.317498000	 2.934263000	-0.290474000
 C	 3.384298000	 0.993651000	-0.248997000
 C	 2.662281000	 3.316460000	-0.421297000
 H	 0.512437000	 3.662351000	-0.312304000
 C	 3.686695000	 2.365094000	-0.398439000
 H	 4.202903000	 0.273271000	-0.244477000
 H	 2.908709000	 4.369366000	-0.542291000
 H	 4.722183000	 2.684415000	-0.500324000
 Cu	 0.551344000	-0.891105000	 0.051512000
 C	 1.456913000	-4.898744000	 1.301147000
 C	 1.345347000	-4.974087000	-1.045531000
 C	 0.856998000	-3.530512000	-1.121907000
 C	 0.973297000	-3.452245000	 1.330430000
 H	 1.230152000	-3.034327000	-2.022249000
 H	-0.235728000	-3.503532000	-1.136191000
 H	 2.445078000	-5.003117000	-1.128720000
 H	 0.919595000	-5.563113000	-1.863506000
 H	 1.112928000	-5.432796000	 2.192093000
 H	 2.559765000	-4.924374000	 1.281744000
 H	-0.113550000	-3.420362000	 1.445184000
 H	 1.427687000	-2.900999000	 2.158650000
 N	 1.308417000	-2.747680000	 0.062007000
 O	 0.929768000	-5.591769000	 0.171406000
 H	 2.326849000	-2.659477000	 0.010318000

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

