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

int5-para

0 3
 C	 1.798839000	 2.020679000	-0.499522000
 C	 2.452406000	 3.248672000	-0.409837000
 C	 1.728134000	 4.364561000	 0.013220000
 C	 0.378507000	 4.219695000	 0.338332000
 C	-0.204136000	 2.960481000	 0.230923000
 N	 0.503884000	 1.891582000	-0.182378000
 H	 2.209336000	 5.335068000	 0.090264000
 H	 2.294889000	 1.113936000	-0.826895000
 H	 3.503356000	 3.320921000	-0.668889000
 H	-0.229071000	 5.051954000	 0.674538000
 C	-1.652341000	 2.719850000	 0.600503000
 O	-2.338896000	 3.668418000	 1.010408000
 N	-2.007263000	 1.420836000	 0.470195000
 C	-3.278357000	 0.968914000	 0.875376000
 C	-3.356653000	-0.264742000	 1.547905000
 C	-4.471586000	 1.663027000	 0.600496000
 C	-4.588161000	-0.784450000	 1.949404000
 H	-2.435395000	-0.804365000	 1.750387000
 C	-5.700749000	 1.134988000	 1.000240000
 H	-4.424986000	 2.613133000	 0.082126000
 C	-5.769333000	-0.087146000	 1.677854000
 H	-4.622789000	-1.736780000	 2.472383000
 H	-6.612851000	 1.683566000	 0.777460000
 H	-6.729572000	-0.489849000	 1.988503000
 Cu	-0.652068000	 0.228388000	-0.365503000
 C	-4.288238000	-1.345666000	-1.828598000
 C	-3.234166000	-3.142520000	-0.755944000
 C	-1.839762000	-2.519462000	-0.985060000
 C	-2.929748000	-0.659534000	-2.090807000
 H	-1.165496000	-2.751081000	-0.158939000
 H	-1.423155000	-2.936821000	-1.914686000
 H	-3.615129000	-2.835160000	 0.227417000
 H	-3.155584000	-4.232498000	-0.783981000
 H	-4.975050000	-1.118712000	-2.648162000
 H	-4.713479000	-0.969540000	-0.889212000
 H	-2.584252000	-0.950503000	-3.095493000
 H	-3.030411000	 0.427727000	-2.050165000
 N	-1.935029000	-1.086659000	-1.134038000
 O	-4.132926000	-2.756547000	-1.785154000
 C	 2.447647000	-2.511070000	-0.224827000
 C	 1.246648000	-1.577193000	 0.021481000
 C	 2.798338000	-3.279581000	 1.056183000
 H	 1.953409000	-3.888321000	 1.395052000
 H	 3.651467000	-3.944748000	 0.874040000
 H	 3.063320000	-2.595261000	 1.869242000
 C	 3.648537000	-1.652641000	-0.671664000
 H	 4.523745000	-2.289838000	-0.849778000
 H	 3.422493000	-1.111427000	-1.595829000
 H	 3.917066000	-0.918829000	 0.098759000
 C	 2.069957000	-3.500347000	-1.346465000
 H	 1.214476000	-4.122113000	-1.053987000
 H	 1.806360000	-2.968744000	-2.266085000
 H	 2.913182000	-4.168421000	-1.561855000
 O	 0.674838000	-1.522333000	 1.128070000
 O	 0.873678000	-0.866881000	-0.995713000

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

