%nprocshared=28
%mem=90GB
#p b3lyp gen EmpiricalDispersion=GD3 scrf=(smd,solvent=acetonitrile) integral(ultrafine) scf=xqc nosymm

ts-h-morph-t_sp

0 3
 C	 1.656126000	-2.248912000	-1.789975000
 C	 2.262502000	-2.853185000	-2.892267000
 C	 1.567013000	-2.918206000	-4.099309000
 C	 0.281484000	-2.380466000	-4.169944000
 C	-0.262214000	-1.799910000	-3.027164000
 N	 0.418005000	-1.742756000	-1.866269000
 H	 2.017883000	-3.377851000	-4.973656000
 H	 2.149864000	-2.120741000	-0.830816000
 H	 3.266981000	-3.252361000	-2.798157000
 H	-0.304716000	-2.404448000	-5.081175000
 C	-1.652215000	-1.227636000	-3.036015000
 O	-2.342908000	-1.287720000	-4.056370000
 N	-2.043079000	-0.760324000	-1.800005000
 C	-3.304156000	-0.252040000	-1.607199000
 C	-4.034219000	 0.489071000	-2.581479000
 C	-3.899305000	-0.468336000	-0.330588000
 C	-5.301032000	 0.968153000	-2.280373000
 H	-3.581099000	 0.693454000	-3.541923000
 C	-5.177107000	-0.005811000	-0.057171000
 H	-3.338424000	-1.043347000	 0.398513000
 C	-5.884366000	 0.718660000	-1.028253000
 H	-5.842911000	 1.547577000	-3.022397000
 H	-5.626545000	-0.201862000	 0.911782000
 H	-6.879587000	 1.093694000	-0.808608000
 Cu	-0.412994000	-0.546256000	-0.460469000
 C	 3.440312000	 1.679380000	-0.174354000
 C	 1.946768000	 1.330310000	-0.093981000
 C	 4.139152000	 0.717982000	-1.147050000
 H	 3.695735000	 0.770486000	-2.145762000
 H	 5.201928000	 0.976970000	-1.225779000
 H	 4.053879000	-0.311744000	-0.787173000
 C	 4.091100000	 1.586983000	 1.216205000
 H	 5.159220000	 1.825442000	 1.140753000
 H	 3.632298000	 2.288593000	 1.919165000
 H	 3.982847000	 0.574316000	 1.616713000
 C	 3.519635000	 3.129237000	-0.703751000
 H	 3.063977000	 3.214602000	-1.697433000
 H	 3.007795000	 3.825200000	-0.029098000
 H	 4.568877000	 3.438594000	-0.782387000
 O	 1.339972000	 1.692031000	 0.998079000
 O	 1.359197000	 0.798131000	-1.056741000
 C	 1.582520000	-1.772512000	 3.224041000
 C	 1.480635000	-1.495724000	 1.700511000
 C	 2.999024000	-2.242958000	 3.585454000
 H	 3.746070000	-1.487107000	 3.325360000
 H	 3.068622000	-2.441245000	 4.662698000
 H	 3.259615000	-3.164823000	 3.052419000
 C	 0.556605000	-2.841803000	 3.638892000
 H	 0.614105000	-3.029227000	 4.718921000
 H	-0.461942000	-2.525230000	 3.396814000
 H	 0.746240000	-3.792038000	 3.122989000
 C	 1.277269000	-0.448127000	 3.955149000
 H	 1.960516000	 0.346821000	 3.634615000
 H	 0.254801000	-0.115947000	 3.754763000
 H	 1.386935000	-0.577344000	 5.039670000
 O	 2.520033000	-1.376584000	 1.026563000
 O	 0.275573000	-1.387416000	 1.249146000
 C	-2.091876000	 3.293153000	 0.752893000
 C	-1.544778000	 2.135809000	 2.731969000
 C	-1.761153000	 0.888073000	 1.837574000
 C	-1.583850000	 2.175104000	-0.183862000
 H	-1.402695000	-0.014558000	 2.333788000
 H	-2.836036000	 0.764318000	 1.635769000
 H	-0.646960000	 2.013703000	 3.345335000
 H	-2.411317000	 2.268228000	 3.399416000
 H	-3.160447000	 3.152001000	 0.980449000
 H	-1.975763000	 4.272878000	 0.281164000
 H	-2.426402000	 1.843166000	-0.815987000
 H	-0.797317000	 2.529136000	-0.859568000
 N	-1.050293000	 1.051391000	 0.579777000
 O	-1.328492000	 3.313146000	 1.953189000
 H	 0.232144000	 1.400895000	 0.875301000

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

