%mem=20000MB
%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                 2.31538300   -0.94817200    4.44329600
 N                  3.78009500    1.12606300    5.89151000
 N                  4.78847000   -0.74875300    6.11378000
 C                  3.88576500   -2.57311000    8.16134300
 H                  4.10825700   -1.51867300    8.33682500
 C                  3.70471900   -0.18035700    5.53114400
 C                  4.89290900    1.37156800    6.68079100
 H                  5.11890900    2.35129700    7.06227000
 C                  5.53217300    0.18655800    6.81849400
 H                  6.43081900   -0.07937800    7.34597600
 C                  5.12879600   -2.14243200    5.97342900
 C                  4.71578200   -3.03591400    6.97290400
 C                  4.21367800   -3.32018000    9.45897300
 H                  3.68925700   -2.85442200   10.29645800
 H                  5.28380400   -3.30129400    9.67788300
 H                  3.89425400   -4.36373100    9.42192800
 C                  5.03455000   -4.38128400    6.79430800
 H                  4.72657500   -5.10799700    7.53367400
 C                  5.72733500   -4.80875200    5.66909000
 H                  5.95601400   -5.86066600    5.54669500
 C                  6.11751400   -3.90088100    4.69662700
 H                  6.64492400   -4.25187100    3.81890900
 C                  5.82608300   -2.54234100    4.82705100
 C                  6.22170000   -1.56511700    3.73087000
 H                  5.99525700   -0.55531100    4.07455400
 C                  5.39143800   -1.81387600    2.46310700
 H                  5.59275500   -2.80405400    2.04813300
 H                  5.62559800   -1.07179000    1.69644000
 H                  4.32149100   -1.76151300    2.67599900
 C                  7.72551800   -1.61204300    3.42944600
 H                  8.02768600   -2.57990300    3.02347400
 H                  8.31711200   -1.42741500    4.32907700
 H                  7.98686000   -0.85046600    2.69048200
 C                  2.81782900    2.11099500    5.46866400
 C                  3.02825500    2.76505700    4.24620800
 C                  2.05692800    3.67616600    3.83081100
 H                  2.17577100    4.19136600    2.88631900
 C                  0.93058900    3.92072700    4.60428000
 H                  0.18278300    4.62303400    4.25835700
 C                  0.74811900    3.25430600    5.80736000
 H                 -0.14585000    3.44031100    6.38850000
 C                  1.68666200    2.32915600    6.26676600
 C                  1.43267400    1.55066700    7.54764500
 H                  2.33496200    0.98838300    7.79038900
 C                  1.13893500    2.47340300    8.73782900
 H                  1.93921400    3.20223300    8.88686200
 H                  1.04198700    1.88566000    9.65373500
 H                  0.20522100    3.02353000    8.60266100
 C                  0.30028100    0.53451400    7.33718400
 H                 -0.63903300    1.03813700    7.09703300
 H                  0.14239600   -0.05616800    8.24221100
 H                  0.52033400   -0.15985400    6.52581800
 C                  4.23235500    2.47079200    3.36453400
 H                  4.91899100    1.83514500    3.92470600
 C                  4.99916000    3.74513100    2.98818900
 H                  4.39806900    4.41113500    2.36538100
 H                  5.89909800    3.49096700    2.42290600
 H                  5.30413900    4.30239800    3.87679500
 C                  3.80638400    1.68832400    2.11347000
 H                  3.31227000    0.75387200    2.38542600
 H                  4.67468900    1.44499900    1.49698000
 H                  3.11115400    2.26875000    1.50233600
 C                  2.38795700   -2.67938200    7.83093900
 H                  2.12787500   -2.08525400    6.95631900
 H                  1.78312000   -2.32726100    8.66995500
 H                  2.10680200   -3.71218600    7.61565100
 C                  0.69888800   -1.04510900    3.13175700
 H                  1.54030700   -0.80246500    2.45671800
 C                  0.70237900   -2.52840700    4.47420700
 O                  1.47852500   -3.40756700    4.14436600
 O                 -0.21527000   -2.33479800    5.23817900
 H                  0.12072200   -1.76775000    2.55661000
 C                 -0.14558400    0.17105500    3.49142200
 H                  0.48219700    0.97979600    3.87468100
 H                 -0.82614800   -0.11248500    4.29669800
 C                 -0.94057400    0.67810300    2.28953800
 H                 -0.27994800    0.97030800    1.47407200
 H                 -1.63649400   -0.08352000    1.93833700
 S                 -1.92978000    2.17141100    2.78592100
 C                 -2.84817900    2.40686300    1.23595400
 F                 -2.04387900    2.59769700    0.16370200
 F                 -3.63089100    3.49769900    1.34962500
 F                 -3.64959100    1.36537500    0.92044500




