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

cu1-opiv_sp

0 1
 C	 1.762830000	-0.104354000	-0.000241000
 C	 0.298654000	 0.399909000	-0.011167000
 C	 2.734458000	 1.082233000	-0.047767000
 H	 2.590738000	 1.746130000	 0.811110000
 H	 3.771384000	 0.723157000	-0.036480000
 H	 2.587466000	 1.677690000	-0.955275000
 C	 1.985278000	-1.015141000	-1.224043000
 H	 3.014313000	-1.396469000	-1.233133000
 H	 1.300100000	-1.868069000	-1.206373000
 H	 1.822158000	-0.465651000	-2.160059000
 C	 1.984491000	-0.913261000	 1.294274000
 H	 1.817571000	-0.289554000	 2.181771000
 H	 1.300578000	-1.766293000	 1.343879000
 H	 3.013883000	-1.291331000	 1.336437000
 O	 0.034614000	 1.608567000	-0.009539000
 O	-0.580819000	-0.562401000	-0.013673000
 Cu	-2.394327000	-0.071133000	 0.001526000

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



