%mem=13000MB
%nprocshared=6
#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                 1.92590300   -0.67074300    4.88299500
 N                  3.78942900    1.24864500    6.11207700
 N                  4.71172100   -0.67525500    5.94688900
 C                  4.06007500   -2.59239400    8.00285900
 H                  4.25614000   -1.52810100    8.14052400
 C                  3.55651800   -0.01748700    5.68100700
 C                  5.06475300    1.37807800    6.64137900
 H                  5.42863400    2.31047800    7.03473700
 C                  5.64958000    0.16255000    6.53366600
 H                  6.62813000   -0.18347700    6.81522900
 C                  4.91656600   -2.07078200    5.65386800
 C                  4.63546100   -3.00908800    6.65766100
 C                  4.70338800   -3.32544400    9.18548500
 H                  4.32685800   -2.91877400   10.12695100
 H                  5.79016500   -3.21610500    9.18093900
 H                  4.47243600   -4.39266300    9.17939300
 C                  4.82530300   -4.35516000    6.34592200
 H                  4.61125400   -5.11283300    7.08820100
 C                  5.26846700   -4.74028600    5.08754200
 H                  5.40273200   -5.79163600    4.86305600
 C                  5.52518200   -3.78882100    4.11115500
 H                  5.85020500   -4.10762100    3.12911400
 C                  5.35328200   -2.42835600    4.37164500
 C                  5.57255900   -1.40118500    3.27160200
 H                  5.51383900   -0.40713100    3.71610300
 C                  4.45404900   -1.50173300    2.22276000
 H                  4.46809000   -2.47444300    1.72567800
 H                  4.56885700   -0.73001500    1.45851700
 H                  3.47100100   -1.37988700    2.68355100
 C                  6.95641000   -1.52607600    2.62104700
 H                  7.07078300   -2.47189300    2.08715400
 H                  7.75344300   -1.46360500    3.36541900
 H                  7.10581000   -0.72161200    1.89687900
 C                  2.80823300    2.30022100    6.02339800
 C                  2.82560100    3.13610900    4.89644200
 C                  1.82896200    4.10722700    4.80467900
 H                  1.79407400    4.75991500    3.94269100
 C                  0.86561200    4.23710800    5.79635700
 H                  0.09586200    4.99358000    5.70208700
 C                  0.87624100    3.39747200    6.90024000
 H                  0.11131000    3.50370100    7.65885200
 C                  1.84837200    2.40522000    7.03879300
 C                  1.80537400    1.45347300    8.22432500
 H                  2.68507400    0.81071400    8.17993200
 C                  1.85462000    2.19828900    9.56511500
 H                  2.74312600    2.82959600    9.63809400
 H                  1.87915000    1.48413300   10.39175700
 H                  0.97896500    2.83545600    9.70678500
 C                  0.57032500    0.54404600    8.13897200
 H                 -0.35345400    1.12333400    8.20574500
 H                  0.57123100   -0.18400200    8.95315900
 H                  0.54960800   -0.00556100    7.19502600
 C                  3.83031400    2.94117200    3.77063600
 H                  4.68384000    2.38963200    4.16802200
 C                  4.36914800    4.26135000    3.20770300
 H                  3.59689300    4.82536400    2.68090300
 H                  5.16816200    4.06050000    2.49039500
 H                  4.77584000    4.89933200    3.99548400
 C                  3.20232700    2.08875300    2.65674900
 H                  2.88011800    1.11953200    3.04185200
 H                  3.91795000    1.91356700    1.85020000
 H                  2.33047500    2.59006900    2.23407700
 C                  2.53422100   -2.78082200    7.99952500
 H                  2.06859700   -2.22385400    7.18378700
 H                  2.10081800   -2.43238700    8.94010700
 H                  2.27186200   -3.83380800    7.87311700
 C                 -1.18338500   -2.63694200    3.43305500
 O                 -0.64427800   -3.68225900    3.67773200
 O                 -2.16049700   -2.10985700    2.97928500
 C                 -0.52342300    0.17577500    3.64872100
 H                 -0.18597100    1.01238400    4.26989700
 H                 -1.60986600    0.11220300    3.76243100
 C                 -0.20231900    0.46430800    2.18616600
 H                  0.87311800    0.45034200    2.01487200
 H                 -0.68705200   -0.26701000    1.54228700
 S                 -0.81941900    2.15001200    1.73395800
 C                 -0.20801300    2.19644000    0.02336800
 F                  1.13893400    2.06885800   -0.06388000
 F                 -0.53337700    3.38208200   -0.52768300
 F                 -0.72470500    1.22767600   -0.76119000
 H                 -0.13366300   -1.57357300    5.02838800
 H                  0.74901200   -1.67994200    3.36029400
 C                  0.09779100   -1.15043200    4.05364500





