%nproc=12
%Mem=12000MB
%Chk=Tsl_4F
#p SCRF(SMD,Solvent=toluene) B3LYP/genecp EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

0 3
 Cu                -4.72130300   -1.65124100    2.47425600
 N                 -5.20171100   -3.26223600    3.48424300
 N                 -4.00844300   -2.89152100    0.91948500
 N                 -6.66516400   -1.63111500    1.68402000
 N                 -5.92635800   -4.22352100    2.84479000
 C                 -5.12218700   -3.58162100    4.78193300
 N                 -4.81529200   -3.95178000    0.61565900
 C                 -2.85874800   -3.04398800    0.25562800
 N                 -7.03920100   -2.80729900    1.09093300
 C                 -7.52789800   -0.68433500    1.30422100
 B                 -6.19245600   -4.08582900    1.31543700
 C                 -6.30760800   -5.16330500    3.74214500
 C                 -5.80972600   -4.78832700    4.98867300
 C                 -4.17257100   -4.78081300   -0.24560500
 C                 -2.92004200   -4.22989300   -0.50255900
 C                 -8.14267900   -2.59829400    0.32792800
 C                 -8.48841000   -1.25562800    0.44951300
 H                 -6.77120600   -5.04855800    0.90905100
 C                 -7.27532300   -3.68579600   -4.38130300
 C                 -6.05518600   -3.91154000   -3.73599800
 C                 -5.53942700   -2.95972700   -2.85460500
 C                 -6.22748400   -1.76411400   -2.59749200
 C                 -7.44671600   -1.54961700   -3.25385700
 C                 -7.96894400   -2.49896800   -4.13672300
 H                 -7.67945900   -4.42654400   -5.06647400
 H                 -5.50369400   -4.83100600   -3.91786000
 H                 -4.59788000   -3.15070800   -2.34888000
 H                 -7.99803000   -0.63170400   -3.06251700
 H                 -8.91832600   -2.31051800   -4.63227000
 C                 -5.68407400   -0.76204900   -1.60452200
 H                 -5.58524200   -1.24668900   -0.62719600
 H                 -6.41078800    0.04821200   -1.47291300
 C                 -4.31349700   -0.15631200   -1.96174800
 H                 -3.56697400   -0.95952000   -2.01906200
 H                 -4.34849400    0.31514800   -2.95336900
 C                 -3.90355600    0.85715600   -0.88780500
 H                 -3.98944800    0.40055500    0.10141700
 H                 -4.58680800    1.71584300   -0.89663700
 C                 -2.45674900    1.37521800   -1.05865400
 H                 -2.40057400    2.01210900   -1.95667400
 H                 -1.75013300    0.54691000   -1.18404700
 N                 -2.14983400    2.22320700    0.07203700
 F                 -4.09352400   -0.01234700    2.10375600
 S                 -0.71754400    1.88142100    0.93538300
 O                  0.00885300    3.16224400    0.95712300
 O                 -0.02297200    0.66952200    0.46162900
 C                 -1.40909400    1.53827000    2.54321500
 C                 -2.21944200    2.49797700    3.16072500
 C                 -1.12273000    0.32441400    3.16618100
 C                 -2.75276200    2.22071600    4.41324000
 H                 -2.43367300    3.43676600    2.66128400
 C                 -1.65760400    0.06964400    4.42881900
 H                 -0.49280700   -0.40356100    2.66822100
 C                 -2.48161800    1.00640700    5.06699200
 H                 -3.38862500    2.95740600    4.89791900
 H                 -1.42864200   -0.86999700    4.92534200
 C                 -7.34119100    0.72708400    1.76633000
 H                 -7.65896300    1.43700600    0.99545300
 H                 -7.92636900    0.93813000    2.67098800
 H                 -6.28251500    0.89886700    1.98813800
 C                 -8.76818900   -3.66737100   -0.50974700
 H                 -9.67770400   -3.28436400   -0.98048600
 H                 -8.09025500   -3.99048200   -1.30788600
 H                 -9.03243100   -4.54965400    0.08396600
 C                 -3.07927100    0.73043200    6.42471200
 H                 -2.84150700    1.53503400    7.13129300
 H                 -4.17372900    0.66974000    6.36767400
 H                 -2.71065700   -0.20876600    6.84901600
 C                 -4.39512900   -2.69334200    5.74133000
 H                 -5.06911500   -2.30230400    6.51230700
 H                 -3.58592500   -3.23019400    6.25003200
 H                 -3.95586100   -1.84039200    5.21139000
 C                 -7.12490600   -6.35809200    3.36561300
 H                 -6.60443500   -6.99364100    2.64037700
 H                 -7.33475000   -6.95857900    4.25506700
 H                 -8.08070200   -6.06466200    2.91733300
 C                 -4.80038600   -6.01599800   -0.80813100
 H                 -5.71281700   -5.77801600   -1.36581700
 H                 -4.10202700   -6.50751300   -1.49165800
 H                 -5.06931100   -6.73171200   -0.02320500
 C                 -1.77572600   -2.02392600    0.39748100
 H                 -0.92191700   -2.41691500    0.96323300
 H                 -1.39147400   -1.70464000   -0.57574000
 H                 -2.16321200   -1.14841100    0.92329200
 H                 -5.93082100   -5.32408400    5.91965800
 H                 -2.16054500   -4.63162500   -1.15896400
 H                 -9.31589800   -0.75796500   -0.03647600

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        


