%nprocshared=24
%mem=94GB
#p b3lyp gen EmpiricalDispersion=GD3 scrf=(smd,solvent=acetonitrile) scf=xqc nosymm integral(ultrafine)

TS6-7

0 1
 C	 2.148751000	 4.127030000	-0.101565000
 C	 1.917581000	 5.488858000	-0.268287000
 C	 0.602355000	 5.932771000	-0.421663000
 C	-0.428775000	 4.996733000	-0.395072000
 C	-0.123937000	 3.650442000	-0.194461000
 N	 1.152654000	 3.219277000	-0.063849000
 H	 0.386103000	 6.988022000	-0.559213000
 H	 3.152820000	 3.730982000	 0.004394000
 H	 2.754343000	 6.179303000	-0.284749000
 H	-1.467092000	 5.284637000	-0.514488000
 C	-1.238789000	 2.628861000	-0.132450000
 O	-2.266812000	 2.819770000	-0.801747000
 N	-0.960618000	 1.576940000	 0.676483000
 C	-1.974055000	 0.594160000	 0.889254000
 C	-2.001232000	-0.665674000	 0.223068000
 C	-2.915793000	 0.859426000	 1.894147000
 C	-2.967791000	-1.601825000	 0.644685000
 H	-0.467026000	 1.996606000	 1.840179000
 C	-3.864147000	-0.081431000	 2.294410000
 H	-2.866730000	 1.827762000	 2.384872000
 C	-3.877147000	-1.325538000	 1.666436000
 H	-3.023673000	-2.570214000	 0.163373000
 H	-4.570606000	 0.154456000	 3.085613000
 H	-4.600056000	-2.084583000	 1.954242000
 Cu	 1.468311000	 1.318402000	 0.331154000
 C	-1.880049000	-0.598351000	-3.084544000
 C	-1.810893000	-2.814403000	-2.323377000
 C	-0.881893000	-2.400796000	-1.178776000
 C	-0.947739000	-0.125836000	-1.969718000
 H	-0.995061000	-3.055954000	-0.311828000
 H	 0.148425000	-2.512769000	-1.539816000
 H	-2.865926000	-2.795886000	-2.010088000
 H	-1.567132000	-3.828302000	-2.657424000
 H	-1.725171000	 0.002971000	-3.986628000
 H	-2.929069000	-0.481485000	-2.763141000
 H	 0.090916000	-0.152888000	-2.325006000
 H	-1.197121000	 0.899963000	-1.715960000
 N	-1.040624000	-0.991952000	-0.774504000
 O	-1.626755000	-1.954607000	-3.447590000
 C	 1.518417000	 3.328915000	 4.327792000
 C	 1.073252000	 2.413070000	 3.176063000
 C	 1.483973000	 4.772480000	 3.776238000
 H	 0.473942000	 5.044494000	 3.452440000
 H	 1.802371000	 5.480171000	 4.551436000
 H	 2.157517000	 4.883022000	 2.917180000
 C	 2.942251000	 2.974320000	 4.776205000
 H	 3.256916000	 3.640815000	 5.588340000
 H	 2.996766000	 1.942201000	 5.140899000
 H	 3.654828000	 3.075477000	 3.951609000
 C	 0.540850000	 3.198591000	 5.510549000
 H	-0.479529000	 3.452954000	 5.209492000
 H	 0.534010000	 2.175132000	 5.906077000
 H	 0.840952000	 3.872201000	 6.322548000
 O	-0.186837000	 2.500155000	 2.870291000
 O	 1.888341000	 1.693954000	 2.569242000
 C	 3.221776000	-2.448400000	-0.822347000
 C	 2.322516000	-2.749392000	 1.328468000
 C	 2.063171000	-1.254713000	 1.484921000
 C	 2.981787000	-0.941888000	-0.758523000
 H	 1.172746000	-1.072035000	 2.091913000
 H	 2.911309000	-0.768776000	 1.974746000
 H	 1.424933000	-3.245730000	 0.921297000
 H	 2.557019000	-3.201598000	 2.297433000
 H	 4.115849000	-2.667911000	-1.414771000
 H	 2.359906000	-2.946372000	-1.297638000
 H	 3.880370000	-0.437104000	-0.388390000
 H	 2.744162000	-0.543884000	-1.749128000
 N	 1.868031000	-0.600480000	 0.163671000
 O	 3.442877000	-2.993109000	 0.477505000
 H	 0.982927000	-0.951539000	-0.224257000

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

