%mem=15000MB
%nprocshared=7
#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                 3.42777100   -0.31685800    5.80923800
 N                  4.94133900    1.35727900    7.68818700
 N                  5.65599400   -0.65626800    7.78434600
 C                  4.10405300   -2.39765400    9.50535700
 H                  4.14950600   -1.30858100    9.49286500
 C                  4.74082000    0.12330900    7.15558000
 C                  5.95655000    1.34666200    8.63211800
 H                  6.25187600    2.23282900    9.16512500
 C                  6.41016200    0.07272700    8.69186100
 H                  7.18408000   -0.38030300    9.28529700
 C                  5.75127900   -2.07616100    7.56827300
 C                  4.97863900   -2.92212300    8.37596300
 C                  4.63614500   -2.86248400   10.86924500
 H                  4.03773900   -2.43481700   11.67754200
 H                  5.67444100   -2.55697900   11.01962200
 H                  4.59300000   -3.95030500   10.96227300
 C                  5.03712500   -4.28951300    8.10692100
 H                  4.44754200   -4.97509000    8.70194400
 C                  5.81925200   -4.78099200    7.07183200
 H                  5.83465300   -5.84471900    6.86746300
 C                  6.57305400   -3.91731200    6.28928500
 H                  7.16890300   -4.31630800    5.47855200
 C                  6.56083200   -2.54229800    6.52414700
 C                  7.35578900   -1.59727800    5.63616600
 H                  7.36355000   -0.61505500    6.11021300
 C                  6.67554500   -1.44282900    4.26816200
 H                  6.63112700   -2.39864800    3.74209700
 H                  7.22457100   -0.73511400    3.64246700
 H                  5.65333100   -1.07681000    4.37576700
 C                  8.81820000   -2.03389300    5.47966000
 H                  8.90561600   -2.97769900    4.93734500
 H                  9.30398600   -2.15822200    6.45014900
 H                  9.37614700   -1.28183200    4.91658700
 C                  4.12367800    2.48937200    7.33470800
 C                  4.54117500    3.31822600    6.28414800
 C                  3.67415200    4.33789200    5.89106300
 H                  3.94752300    4.98585300    5.06869400
 C                  2.45175500    4.51876900    6.52284900
 H                  1.78151200    5.29981500    6.18626600
 C                  2.07567900    3.69488900    7.57363400
 H                  1.11461900    3.84336200    8.04813500
 C                  2.90512200    2.66025800    8.00731900
 C                  2.46454300    1.74834700    9.14309800
 H                  3.29662900    1.08895700    9.39247500
 C                  2.12540000    2.54465600   10.41079900
 H                  2.95953800    3.17873600   10.72055900
 H                  1.89559500    1.86230500   11.23280900
 H                  1.25392700    3.18620600   10.26337500
 C                  1.28857900    0.85850400    8.71618100
 H                  0.41595700    1.45909000    8.44851600
 H                  0.99815700    0.19399900    9.53340000
 H                  1.54120700    0.23371700    7.85992800
 C                  5.85682200    3.09267700    5.55326400
 H                  6.48047900    2.44481400    6.17102400
 C                  6.63911200    4.39430700    5.33610600
 H                  6.13026400    5.06614100    4.64180800
 H                  7.62163200    4.17362400    4.91226900
 H                  6.78877700    4.93275100    6.27456600
 C                  5.61809000    2.36581900    4.22080700
 H                  5.14944700    1.39409100    4.38171400
 H                  6.56304400    2.20330300    3.69645800
 H                  4.96379900    2.94993400    3.56916800
 C                  2.63032100   -2.78340900    9.31947400
 H                  2.23625500   -2.41753200    8.37165500
 H                  2.02771400   -2.35318100   10.12326600
 H                  2.49164300   -3.86660100    9.35084600
 F                  1.21696800   -1.60878700    6.40745700
 B                  1.66925200   -1.84289800    5.06788100
 C                  2.89381900   -2.89105400    4.94913800
 C                  0.48284800   -2.36531000    4.11517100
 C                  2.02958500    0.08528700    4.32213800
 H                  3.78345600   -2.64736500    5.54638400
 C                  2.37575300   -4.22907000    5.54593100
 C                  3.35835000   -2.97726300    3.48073800
 C                 -0.03628000   -3.65890100    4.79497300
 H                 -0.35900900   -1.66196300    4.09428700
 C                  0.93059300   -2.59047700    2.65398100
 H                  1.83351800   -0.28599000    3.32256600
 H                  2.26418900   -4.07617300    6.62231900
 H                  3.14080500   -5.00619900    5.42886400
 C                  1.03611900   -4.74707700    4.98633300
 C                  2.26002300   -3.35193200    2.47088300
 H                  4.18461800   -3.69270300    3.38743200
 H                  3.77403100   -2.00163000    3.20399800
 H                 -0.87178100   -4.07840400    4.22103800
 H                 -0.44113200   -3.38491800    5.77382300
 H                  1.02050700   -1.61508700    2.16561900
 H                  0.14348700   -3.11604700    2.09913800
 H                  0.64738900   -5.51564700    5.66335400
 H                  1.20568600   -5.25665700    4.03726300
 H                  2.63405600   -3.17473300    1.45677100
 H                  2.07861200   -4.42541300    2.52742400
 H                  2.92478300    0.72208900    4.16927800
 C                  0.90270700    0.94625600    4.84698400
 H                 -0.00760800    0.37435000    5.00750400
 H                  1.17292400    1.44864100    5.77253300
 C                  0.56775668    2.05538352    3.83246715
 H                 -0.12453792    1.67929199    3.10846208
 H                  1.46368630    2.37015072    3.33938327
 S                 -0.15815079    3.43937771    4.68453430
 C                 -1.35847455    4.22345981    3.62962286
 F                 -0.75414264    5.18079822    2.89424124
 F                 -2.32663697    4.78175595    4.38689883
 F                 -1.90500150    3.30249401    2.80765551




