%mem=16GB
%nprocshared=12
#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                 2.16305800   -1.13703800    4.42331900
 N                  3.41095400    0.85737000    6.31717600
 N                  4.55879600   -0.92919400    6.05957900
 C                  3.71289800   -3.22538800    7.59812100
 H                  3.73945100   -2.18450600    7.92336900
 C                  3.41556100   -0.32290500    5.64814000
 C                  4.52591000    0.97950500    7.13649500
 H                  4.69065500    1.84933400    7.74703000
 C                  5.25368200   -0.14791000    6.96907700
 H                  6.18250900   -0.46785100    7.40660500
 C                  4.96227400   -2.23337800    5.59991900
 C                  4.57050000   -3.35296600    6.34815800
 C                  4.23540000   -4.07400600    8.76394100
 H                  3.64523400   -3.87949300    9.66260700
 H                  5.27961500   -3.84514900    8.98928700
 H                  4.16377000   -5.14327700    8.55466200
 C                  4.93429800   -4.60752600    5.85958900
 H                  4.63618000   -5.49828000    6.39668200
 C                  5.65286400   -4.73247400    4.67851900
 H                  5.91694800   -5.71696800    4.31170700
 C                  6.02050700   -3.60578800    3.95695900
 H                  6.56679900   -3.72175500    3.02955100
 C                  5.67978900   -2.32722700    4.40002200
 C                  6.03624000   -1.10465000    3.56811500
 H                  5.76662100   -0.21509600    4.13797200
 C                  5.21736800   -1.07902200    2.26818700
 H                  5.44768000   -1.94208800    1.63923900
 H                  5.43414700   -0.17557800    1.69344000
 H                  4.14514300   -1.09832300    2.47820100
 C                  7.54091600   -1.01944700    3.28033900
 H                  7.88281300   -1.85077100    2.66000200
 H                  8.12312900   -1.03013900    4.20459100
 H                  7.77244400   -0.09471500    2.74603800
 C                  2.38542600    1.86440300    6.21722400
 C                  2.60584200    2.95252800    5.35696100
 C                  1.63721300    3.95479200    5.33329200
 H                  1.76862500    4.81541800    4.69129000
 C                  0.49582400    3.86193200    6.12087200
 H                 -0.24906000    4.64775300    6.08524200
 C                  0.28721600    2.75539900    6.92863100
 H                 -0.62632100    2.68064400    7.50298600
 C                  1.23112700    1.72853200    6.99775100
 C                  0.96488900    0.50052400    7.85385000
 H                  1.86755500   -0.11097800    7.86540200
 C                  0.64413500    0.86320900    9.30942400
 H                  1.44269200    1.46008300    9.75621300
 H                  0.52655200   -0.04472400    9.90574400
 H                 -0.28512500    1.43091800    9.39139500
 C                 -0.15553600   -0.34697000    7.23049900
 H                 -1.10129200    0.19789900    7.21764600
 H                 -0.30102000   -1.26772800    7.79999600
 H                  0.08297100   -0.62063200    6.20048900
 C                  3.81427300    2.99171700    4.43197500
 H                  4.62275200    2.43654100    4.91081300
 C                  4.34073300    4.40477800    4.16324600
 H                  3.64346800    4.99634200    3.56604100
 H                  5.27732600    4.35169600    3.60365200
 H                  4.53355200    4.94635400    5.09186100
 C                  3.48473800    2.27259500    3.11149700
 H                  3.13008000    1.25574200    3.28936400
 H                  4.36933400    2.21708200    2.47258800
 H                  2.70699500    2.81187200    2.56487500
 C                  2.24972200   -3.56829700    7.27556800
 H                  1.85895500   -2.93130000    6.47988900
 H                  1.62121700   -3.43422300    8.15937000
 H                  2.15200100   -4.60276300    6.93969300
 C                  0.94201200   -2.19070800    3.12271900
 H                  0.48663700   -2.39149200    4.09253600
 C                  0.16316900   -4.06212100    2.82910500
 O                  0.72498100   -4.79672500    3.59809400
 O                 -0.66666500   -3.98923300    1.96493000
 H                  1.86360600   -2.68009200    2.81865000
 C                  0.26054400   -1.21839500    2.17474800
 H                  1.00040200   -0.63835700    1.61816700
 H                 -0.32556800   -1.78256200    1.43861100
 C                 -0.68184670   -0.26019022    2.92664119
 H                 -1.42567564   -0.82673911    3.44687273
 H                 -0.11743986    0.31715407    3.62879394
 C                 -1.36600334    0.68247688    1.91921455
 F                 -2.23508742   -0.02130743    1.16298673
 F                 -0.43173406    1.24613803    1.12427619
 F                 -2.03093596    1.64896372    2.58724735




