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

int9

0 2
 C	-2.631863000	-2.618964000	-0.050877000
 C	-1.471342000	-1.635210000	 0.186484000
 C	-2.258581000	-3.550646000	-1.221097000
 H	-1.353792000	-4.127877000	-0.992396000
 H	-3.072589000	-4.260519000	-1.413702000
 H	-2.075566000	-2.978326000	-2.135717000
 C	-3.887445000	-1.799974000	-0.416893000
 H	-4.737222000	-2.471311000	-0.592355000
 H	-4.161843000	-1.113931000	 0.394193000
 H	-3.720782000	-1.209850000	-1.323500000
 C	-2.895364000	-3.444387000	 1.215538000
 H	-2.013724000	-4.030686000	 1.496121000
 H	-3.149852000	-2.799191000	 2.062794000
 H	-3.728938000	-4.136923000	 1.045844000
 O	-1.132719000	-0.909653000	-0.836587000
 O	-0.911042000	-1.534258000	 1.293616000
 C	 4.213322000	-0.278535000	 0.087251000
 C	 2.708218000	-0.107738000	-0.065958000
 C	 4.486265000	-0.486228000	 1.594841000
 H	 3.971092000	-1.379663000	 1.967882000
 H	 5.561976000	-0.617559000	 1.759999000
 H	 4.148920000	 0.376522000	 2.178833000
 C	 4.915147000	 1.003016000	-0.401736000
 H	 5.998634000	 0.906236000	-0.266567000
 H	 4.718877000	 1.177766000	-1.466652000
 H	 4.573408000	 1.878791000	 0.157863000
 C	 4.702272000	-1.495337000	-0.711493000
 H	 4.216650000	-2.415637000	-0.372479000
 H	 4.494965000	-1.376335000	-1.780921000
 H	 5.784941000	-1.609199000	-0.583399000
 O	 2.136139000	 0.967911000	 0.333345000
 O	 1.970262000	-1.022459000	-0.555105000
 Cu	 0.344838000	 0.191297000	-0.210391000
 C	-2.213640000	 3.535282000	-1.007104000
 C	-2.702772000	 2.927426000	 1.215473000
 C	-2.051232000	 1.583670000	 0.829153000
 C	-1.036253000	 2.547207000	-1.170345000
 H	-1.850880000	 0.967537000	 1.707181000
 H	-2.678550000	 1.002736000	 0.150823000
 H	-2.392070000	 3.235258000	 2.218624000
 H	-3.799387000	 2.826963000	 1.205100000
 H	-3.161936000	 3.063371000	-1.305987000
 H	-2.062900000	 4.419146000	-1.632392000
 H	-1.267567000	 1.800391000	-1.935756000
 H	-0.111325000	 3.057755000	-1.449085000
 N	-0.775676000	 1.837844000	 0.116119000
 O	-2.286221000	 3.982654000	 0.342744000
 H	-0.205572000	 2.452003000	 0.702237000

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









