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

int4-meta

0 3
 C	 2.395153000	 3.308768000	-0.422573000
 C	 2.541615000	 4.666871000	-0.697004000
 C	 1.409679000	 5.483696000	-0.661500000
 C	 0.168491000	 4.924476000	-0.352426000
 C	 0.097283000	 3.560928000	-0.087602000
 N	 1.197754000	 2.785581000	-0.126479000
 H	 1.493201000	 6.545276000	-0.874011000
 H	 3.229637000	 2.615698000	-0.434543000
 H	 3.521567000	 5.066767000	-0.933703000
 H	-0.739167000	 5.515098000	-0.312878000
 C	-1.208946000	 2.879117000	 0.260097000
 O	-2.239196000	 3.563953000	 0.331269000
 N	-1.063735000	 1.548994000	 0.489096000
 C	-2.162944000	 0.739714000	 0.850097000
 C	-1.940816000	-0.332397000	 1.735499000
 C	-3.466799000	 0.935374000	 0.349984000
 C	-2.986433000	-1.167991000	 2.126516000
 H	-0.935424000	-0.503322000	 2.106157000
 C	-4.509135000	 0.098750000	 0.751964000
 H	-3.658293000	 1.750218000	-0.336110000
 C	-4.281944000	-0.952889000	 1.645339000
 H	-2.786100000	-1.988469000	 2.810640000
 H	-5.508181000	 0.270805000	 0.358620000
 H	-5.100524000	-1.594708000	 1.959986000
 Cu	 0.771012000	 0.885539000	 0.232582000
 C	-2.593914000	-2.342070000	-1.702742000
 C	-3.975460000	-3.947248000	-0.697297000
 C	-2.732095000	-4.724534000	-0.199486000
 C	-1.337250000	-3.104604000	-1.224100000
 H	-2.972246000	-5.243119000	 0.736197000
 H	-2.481398000	-5.478742000	-0.964923000
 H	-4.307625000	-3.252677000	 0.087227000
 H	-4.788590000	-4.643012000	-0.925199000
 H	-2.400126000	-1.863564000	-2.667604000
 H	-2.854975000	-1.565640000	-0.969247000
 H	-1.053480000	-3.810499000	-2.023577000
 H	-0.518090000	-2.400858000	-1.055916000
 N	-1.623492000	-3.817709000	 0.002279000
 O	-3.680461000	-3.239769000	-1.892260000
 C	 2.868244000	-2.404685000	 0.255320000
 C	 2.069605000	-1.110993000	 0.266714000
 C	 2.221608000	-3.419663000	 1.214837000
 H	 1.181532000	-3.623268000	 0.942948000
 H	 2.780577000	-4.362023000	 1.182776000
 H	 2.237836000	-3.049414000	 2.247043000
 C	 4.325710000	-2.131632000	 0.659563000
 H	 4.895780000	-3.067371000	 0.634412000
 H	 4.800814000	-1.419462000	-0.021744000
 H	 4.383345000	-1.723714000	 1.675339000
 C	 2.811890000	-2.942051000	-1.195380000
 H	 1.780912000	-3.150346000	-1.500825000
 H	 3.245085000	-2.223720000	-1.901071000
 H	 3.384662000	-3.874428000	-1.260324000
 O	 0.800446000	-1.129038000	 0.417180000
 O	 2.620287000	 0.027963000	 0.086810000

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

