%mem=16GB
%nprocshared=16
#p opt(calcfc,ts,noeigentest) freq b3lyp/TZVP scrf=(smd,solvent=1,4-dioxane) nosymm cphf=conver=7 empiricaldispersion=gd3 int=(acc2e=11,grid=ultrafine)

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0 1
 Cu                 2.16896800   -1.18242100    4.39112900
 N                  3.38337800    0.72879400    6.31055000
 N                  4.59402900   -1.02135100    6.09243500
 C                  3.66553900   -3.39567300    7.47848500
 H                  3.54814600   -2.35360300    7.77842700
 C                  3.43501400   -0.46386000    5.66379600
 C                  4.49205800    0.91594700    7.12226300
 H                  4.62791000    1.80591400    7.71054800
 C                  5.25644800   -0.19287400    6.98645700
 H                  6.19561800   -0.46797300    7.43241900
 C                  5.07411700   -2.30372900    5.64322500
 C                  4.66393700   -3.45227900    6.33311000
 C                  4.13590900   -4.17316600    8.71415600
 H                  3.42578700   -4.04075700    9.53405300
 H                  5.11442100   -3.82753500    9.05569900
 H                  4.20889100   -5.24473400    8.51693600
 C                  5.14035700   -4.67979000    5.87187600
 H                  4.83380400   -5.59161400    6.36767500
 C                  5.98062800   -4.75133200    4.77012900
 H                  6.33237200   -5.71539200    4.42317900
 C                  6.35228600   -3.59741100    4.09452300
 H                  6.98309800   -3.67381800    3.21832500
 C                  5.90264100   -2.34496500    4.51330700
 C                  6.23408900   -1.09827600    3.70781900
 H                  5.91899200   -0.22616000    4.28194900
 C                  5.43327100   -1.09577600    2.39557100
 H                  5.71753400   -1.93752400    1.75999200
 H                  5.60936800   -0.17392600    1.83665700
 H                  4.36125700   -1.17613800    2.58966300
 C                  7.73709100   -0.94546300    3.44476300
 H                  8.12476600   -1.74777800    2.81355900
 H                  8.30634700   -0.94781300    4.37719100
 H                  7.93553700   -0.00171200    2.93092000
 C                  2.29558900    1.65309400    6.12223100
 C                  2.34100800    2.51559300    5.01957300
 C                  1.21842300    3.31075700    4.78335000
 H                  1.20601600    3.97687900    3.93014500
 C                  0.11281400    3.24761200    5.61839800
 H                 -0.75480600    3.86198000    5.40999800
 C                  0.11058700    2.40440800    6.72254400
 H                 -0.75867500    2.37618800    7.36575200
 C                  1.20578000    1.58843200    7.00357500
 C                  1.19379300    0.63062100    8.18726900
 H                  2.22963000    0.38900700    8.43082300
 C                  0.57183900    1.24613500    9.44642700
 H                  1.03923800    2.19989000    9.70109100
 H                  0.70271900    0.56934700   10.29387900
 H                 -0.50090200    1.41601200    9.33273700
 C                  0.49297500   -0.68634700    7.81930100
 H                 -0.55831500   -0.51429500    7.57890200
 H                  0.53836900   -1.38918400    8.65473100
 H                  0.96085100   -1.15858600    6.95511300
 C                  3.54660700    2.58799600    4.09398400
 H                  4.34125000    1.97923000    4.52668800
 C                  4.08574100    4.02091500    3.98126800
 H                  3.37053500    4.68479500    3.49078400
 H                  5.00456900    4.03312700    3.38992300
 H                  4.31070700    4.44021100    4.96455400
 C                  3.22866000    2.00481100    2.71035700
 H                  2.92079400    0.96099600    2.78303900
 H                  4.10898600    2.05191500    2.06537600
 H                  2.42299700    2.55590500    2.22092100
 C                  2.29432000   -3.89472800    6.99570000
 H                  1.94612400   -3.32202500    6.13352100
 H                  1.54809900   -3.80634100    7.78846200
 H                  2.34336900   -4.94190300    6.68951800
 C                  0.85782500   -3.86605500    1.96684200
 O                  1.21665900   -4.70752900    2.75194200
 O                  0.47741000   -3.67795200    0.84433200
 H                  1.80492500   -2.52110200    3.10476700
 C                  0.83401100   -2.02619000    2.97893400
 C                  0.64244200   -0.96122800    1.91886900
 C                 -0.39598800   -2.33155300    3.83523600
 C                 -0.07458900    0.29018700    2.45306000
 H                  0.04207900   -1.38101700    1.10040800
 H                  1.60163300   -0.68355700    1.47306400
 C                 -1.07342300   -1.05291500    4.35170000
 H                 -1.14773800   -2.86943700    3.23895600
 H                 -0.13655000   -2.99354500    4.66295500
 C                 -1.35694100   -0.07425800    3.20737800
 H                 -0.30371700    0.97275100    1.62784100
 H                  0.58695400    0.83182000    3.13738400
 H                 -2.00261200   -1.30406300    4.87434300
 H                 -0.42041600   -0.55945000    5.08001400
 H                 -1.83379800    0.83108600    3.59598600
 H                 -2.06846700   -0.53336700    2.51076600





