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

int4

0 3
 C	 2.592317000	 2.245474000	-0.568266000
 C	 3.114874000	 3.537414000	-0.602428000
 C	 2.255063000	 4.614822000	-0.381283000
 C	 0.904103000	 4.369950000	-0.129955000
 C	 0.456284000	 3.052616000	-0.106354000
 N	 1.294658000	 2.021222000	-0.323979000
 H	 2.632600000	 5.632815000	-0.402504000
 H	 3.198159000	 1.361641000	-0.734665000
 H	 4.171151000	 3.687468000	-0.798636000
 H	 0.194405000	 5.168728000	 0.051645000
 C	-0.986111000	 2.707965000	 0.196648000
 O	-1.795349000	 3.621854000	 0.417190000
 N	-1.200591000	 1.372475000	 0.233735000
 C	-2.459214000	 0.855258000	 0.601800000
 C	-2.495885000	-0.234770000	 1.489839000
 C	-3.672546000	 1.346221000	 0.085537000
 C	-3.710753000	-0.811515000	 1.864387000
 H	-1.556933000	-0.618814000	 1.879166000
 C	-4.884125000	 0.762361000	 0.460117000
 H	-3.655739000	 2.184877000	-0.600764000
 C	-4.913317000	-0.315685000	 1.351707000
 H	-3.714895000	-1.651138000	 2.554884000
 H	-5.812529000	 1.152133000	 0.049599000
 H	-5.860165000	-0.764098000	 1.640069000
 Cu	 0.325190000	 0.225134000	-0.301899000
 C	-2.968852000	-2.033958000	-1.678578000
 C	-1.827897000	-3.445469000	-0.195744000
 C	-0.495099000	-2.708541000	-0.449804000
 C	-1.676245000	-1.242152000	-1.975119000
 H	 0.126079000	-2.692787000	 0.447191000
 H	 0.043034000	-3.239349000	-1.250357000
 H	-2.330100000	-3.005899000	 0.676692000
 H	-1.628193000	-4.502018000	 0.001211000
 H	-3.595836000	-2.057265000	-2.573693000
 H	-3.520405000	-1.543196000	-0.866547000
 H	-1.207566000	-1.669750000	-2.875652000
 H	-1.900251000	-0.188083000	-2.156340000
 N	-0.734172000	-1.353442000	-0.885607000
 O	-2.663071000	-3.379455000	-1.342017000
 C	 3.727673000	-2.006675000	 0.525704000
 C	 2.404888000	-1.213393000	 0.499440000
 C	 3.350088000	-3.496621000	 0.675502000
 H	 2.760523000	-3.843875000	-0.182004000
 H	 4.255715000	-4.112909000	 0.735208000
 H	 2.762226000	-3.659620000	 1.585314000
 C	 4.549391000	-1.555780000	 1.746464000
 H	 5.475606000	-2.139395000	 1.817048000
 H	 4.822534000	-0.495772000	 1.667419000
 H	 3.979830000	-1.690351000	 2.670404000
 C	 4.541265000	-1.799862000	-0.759804000
 H	 3.984772000	-2.129972000	-1.642307000
 H	 4.797840000	-0.743376000	-0.901188000
 H	 5.476332000	-2.371829000	-0.708693000
 O	 1.745653000	-1.062838000	 1.548769000
 O	 2.012531000	-0.761046000	-0.647107000

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




