%nproc=24
%Mem=24000MB
%Chk=Tsl_4S
#p SCRF(SMD,Solvent=toluene) B3LYP/genecp EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

0 1
 Cu                -4.68639700   -2.39602900    1.17947700
 N                 -4.31576700   -2.73134600    3.53369400
 N                 -4.75168800   -4.35832400    1.15524400
 N                 -6.61690800   -2.47204100    1.36921200
 N                 -5.25585300   -3.53559700    4.11136200
 C                 -3.37359800   -2.50859900    4.45116100
 N                 -5.48666600   -5.01929700    2.09247400
 C                 -4.19237300   -5.25335300    0.33002500
 N                 -7.12873900   -3.18461500    2.41807800
 C                 -7.61311600   -1.79108000    0.77687600
 B                 -6.26171200   -4.22622500    3.18272000
 C                 -4.91334700   -3.81986600    5.40000700
 C                 -3.71637200   -3.16629200    5.65644600
 C                 -5.37992900   -6.35220400    1.87627400
 C                 -4.56556200   -6.53705600    0.76292300
 C                 -8.45903200   -2.94662200    2.50026200
 C                 -8.79771800   -2.06905600    1.47505200
 H                 -6.97037600   -4.96432300    3.79913900
 C                 -5.54769000    0.91657100    9.66725900
 C                 -6.25356000    1.89946600    8.97018100
 C                 -6.63108600    1.68359400    7.64212900
 C                 -6.31170400    0.48610700    6.98886600
 C                 -5.59952100   -0.49270300    7.69947000
 C                 -5.22104900   -0.28173400    9.02566800
 H                 -5.25595600    1.08139100   10.70130700
 H                 -6.51333800    2.83435700    9.46065600
 H                 -7.18238500    2.45335800    7.10576300
 H                 -5.33561200   -1.42275400    7.20056200
 H                 -4.67241200   -1.05381800    9.55998000
 C                 -6.67270300    0.25565500    5.53812100
 H                 -7.53535500    0.87374300    5.25749100
 H                 -6.97530200   -0.79123000    5.39867000
 C                 -5.49776100    0.54482000    4.58317800
 H                 -5.24310900    1.61301000    4.62196000
 H                 -4.61848600   -0.00329200    4.94337200
 C                 -5.80426500    0.10019900    3.15125800
 H                 -6.65010100    0.66242100    2.73578900
 H                 -6.10265500   -0.94769300    3.18436000
 C                 -4.59657200    0.24065000    2.22220600
 H                 -3.68062400   -0.09370800    2.71968400
 H                 -4.45359900    1.29681600    1.96510400
 N                 -4.79545400   -0.50379800    0.97012600
 F                 -2.92356100   -2.34749300    0.92850800
 S                 -3.99621200    0.08960600   -0.38856500
 O                 -4.57978000    1.43096900   -0.58355100
 O                 -4.14564200   -0.93458000   -1.43569900
 C                 -2.24966300    0.33785900   -0.06942700
 C                 -1.32192200   -0.61493400   -0.49939700
 C                 -1.83752000    1.48525900    0.61037600
 C                  0.02737400   -0.41246800   -0.23014100
 H                 -1.66091600   -1.49148000   -1.03532300
 C                 -0.48153400    1.66255800    0.88639700
 H                 -2.55969700    2.23988600    0.90141100
 C                  0.46855700    0.71892200    0.47564800
 H                  0.75435300   -1.14736300   -0.56764400
 H                 -0.15899600    2.55261300    1.42047400
 H                 -3.16211000   -3.17077300    6.58514200
 H                 -4.27859600   -7.48043100    0.32004400
 H                 -9.78374000   -1.69078300    1.24506900
 C                  1.93799000    0.91094000    0.75920700
 H                  2.36104000    0.03452200    1.26525100
 H                  2.50356500    1.04820500   -0.17148300
 H                  2.11859300    1.78619900    1.39137700
 C                 -2.15979600   -1.68826400    4.13469000
 H                 -2.22848600   -0.67382400    4.54890500
 H                 -1.26144900   -2.14897000    4.56148600
 H                 -2.03171600   -1.61915900    3.05104400
 C                 -5.74169500   -4.68578000    6.29655900
 H                 -5.32635400   -4.67718900    7.30854600
 H                 -6.77845700   -4.33531400    6.35319800
 H                 -5.76818300   -5.72677500    5.95175300
 C                 -6.04995900   -7.36791800    2.74576100
 H                 -5.71180400   -7.29346800    3.78567400
 H                 -7.13888400   -7.24515800    2.74473100
 H                 -5.81829600   -8.37355300    2.38393800
 C                 -3.37210100   -4.83642200   -0.84822400
 H                 -2.61868600   -5.59522300   -1.08138000
 H                 -4.00363300   -4.70481800   -1.73632200
 H                 -2.87821500   -3.88597200   -0.63848500
 C                 -9.33222200   -3.57607900    3.53818800
 H                 -9.37466600   -4.66519300    3.42478500
 H                 -8.96938000   -3.36386100    4.54992200
 H                -10.34900500   -3.18312300    3.45062700
 C                 -7.42928800   -0.92874300   -0.42883600
 H                 -6.61603900   -1.29483600   -1.05903600
 H                 -8.35531800   -0.91250300   -1.01271200
 H                 -7.17675200    0.09892300   -0.15013000

Cu     0 
S   1   1.00
      8.1760000              1.0000000        
S   1   1.00
      2.5680000              1.0000000        
S   1   1.00
      0.9587000              1.0000000        
S   1   1.00
      0.1153000              1.0000000        
S   1   1.00
      0.0396000              1.0000000        
P   1   1.00
     25.6300000              1.0000000        
P   1   1.00
      3.1660000              1.0000000        
P   1   1.00
      1.0230000              1.0000000        
P   1   1.00
      0.0860000              1.0000000        
P   1   1.00
      0.0240000              1.0000000        
D   3   1.00
     41.3400000              0.0465424        
     11.4200000              0.2227824        
      3.8390000              0.4539059        
D   1   1.00
      1.2300000              1.0000000        
D   1   1.00
      0.3102000              1.0000000        
F   1   1.00
      3.5250000              1.0000000        
****
N C H B F S O 0
6-311+G**
****

CU     0
CU-ECP     2     10
d-ul potential
  3
1    511.9951763            -10.0000000        
2     93.2801074            -72.5548282        
2     23.2206669            -12.7450231        
s-ul potential
  4
0    173.1180854              3.0000000        
1    185.2419886             23.8351825        
2     73.1517847            473.8930488        
2     14.6884157            157.6345823        
p-ul potential
  4
0    100.7191369              5.0000000        
1    130.8345665              6.4990936        
2     53.8683720            351.4605395        
2     14.0989469             85.5016036        


