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

int4-para

0 3
 C	 2.772590000	 2.357690000	-0.061913000
 C	 3.149208000	 3.694235000	 0.043695000
 C	 2.149847000	 4.662903000	 0.177785000
 C	 0.811571000	 4.273867000	 0.200634000
 C	 0.503844000	 2.917737000	 0.089629000
 N	 1.482705000	 1.999519000	-0.038884000
 H	 2.414034000	 5.712640000	 0.264615000
 H	 3.489723000	 1.550876000	-0.165753000
 H	 4.199803000	 3.962262000	 0.022781000
 H	 0.002534000	 4.987321000	 0.304303000
 C	-0.915311000	 2.423792000	 0.110568000
 O	-1.839498000	 3.249830000	 0.205426000
 N	-1.009461000	 1.061374000	 0.015790000
 C	-2.196054000	 0.350653000	-0.011918000
 C	-2.119279000	-1.084415000	-0.117395000
 C	-3.511707000	 0.922914000	 0.079055000
 C	-3.220931000	-1.871347000	-0.206382000
 H	-1.137901000	-1.561191000	-0.119386000
 C	-4.635113000	 0.158368000	-0.020982000
 H	-3.595324000	 1.986449000	 0.253468000
 C	-4.623666000	-1.321349000	-0.283684000
 H	-3.104240000	-2.949539000	-0.278046000
 H	-5.604403000	 0.632328000	 0.106097000
 H	-5.241291000	-1.797706000	 0.499331000
 Cu	 0.723387000	 0.161008000	-0.090436000
 C	-7.556936000	-0.890560000	-1.625960000
 C	-7.152115000	-3.136600000	-1.046478000
 C	-5.744361000	-3.064105000	-1.645241000
 C	-6.159940000	-0.782419000	-2.240273000
 H	-5.074182000	-3.745796000	-1.110832000
 H	-5.793703000	-3.399574000	-2.690222000
 H	-7.126461000	-2.911557000	 0.033088000
 H	-7.575090000	-4.139247000	-1.172779000
 H	-8.273955000	-0.268261000	-2.172913000
 H	-7.544623000	-0.559722000	-0.573684000
 H	-6.236133000	-1.048986000	-3.303736000
 H	-5.790271000	 0.245311000	-2.184068000
 N	-5.183719000	-1.701447000	-1.635738000
 O	-8.039778000	-2.233533000	-1.707860000
 C	 4.132368000	-1.908971000	 0.870813000
 C	 2.770748000	-1.195456000	 0.877413000
 C	 4.491987000	-2.374042000	 2.288089000
 H	 3.746925000	-3.078755000	 2.673472000
 H	 5.467216000	-2.875704000	 2.281332000
 H	 4.542810000	-1.528929000	 2.982146000
 C	 5.187853000	-0.905197000	 0.358569000
 H	 6.178342000	-1.376161000	 0.344945000
 H	 4.951727000	-0.571063000	-0.656784000
 H	 5.242117000	-0.022618000	 1.008018000
 C	 4.060301000	-3.119660000	-0.081241000
 H	 3.299100000	-3.836841000	 0.250742000
 H	 3.813194000	-2.806756000	-1.100205000
 H	 5.026366000	-3.638595000	-0.103241000
 O	 2.152457000	-0.949376000	 1.922836000
 O	 2.324567000	-0.844989000	-0.301307000

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

