%nproc=8
%Mem=8000MB
%Chk=Tsl_4p
#p SCRF(SMD,Solvent=toluene) B3LYP/genecp EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

0 3
 Cu                -4.71687400   -2.66574500    1.20053300
 N                 -4.07306400   -3.14553100    3.27965700
 N                 -5.09686100   -4.71550800    1.03141200
 N                 -6.68764400   -2.52751800    1.75373100
 N                 -4.94961600   -3.89987400    4.00976500
 C                 -2.94547600   -3.04222200    3.99047600
 N                 -5.73569200   -5.31997800    2.07641900
 C                 -4.77796600   -5.66065400    0.14118400
 N                 -7.10462700   -3.35016100    2.76475400
 C                 -7.76569200   -1.85783700    1.31181800
 B                 -6.18564500   -4.48034700    3.30192500
 C                 -4.37840300   -4.26632200    5.18954700
 C                 -3.10155100   -3.72274500    5.21722900
 C                 -1.75677600   -2.31439100    3.44758000
 C                 -5.81914700   -6.65535100    1.84809400
 C                 -5.22163600   -6.90851500    0.61885800
 C                 -4.06966400   -5.31435100   -1.13077200
 C                 -8.43314000   -3.18609700    2.97370900
 C                 -8.88539800   -2.23533700    2.06741900
 H                 -6.80645800   -5.16578100    4.05895600
 C                 -5.07188100   -5.12247900    6.20289100
 C                 -6.45142500   -7.61189800    2.80992300
 C                 -9.20382500   -3.93014000    4.01872000
 H                 -1.71918300   -1.27595400    3.79142200
 H                 -0.83042000   -2.80906100    3.76017600
 H                 -1.80733000   -2.31098500    2.35640800
 H                 -4.46563800   -5.18868800    7.11122100
 H                 -6.05263700   -4.71708700    6.47689600
 H                 -5.23440700   -6.14171300    5.83169500
 H                 -8.77200000   -3.79369500    5.01637000
 H                -10.23649500   -3.56964100    4.03996900
 H                 -7.50131200   -7.36277700    3.00289700
 H                 -9.22631200   -5.00737100    3.81935300
 H                 -5.93408600   -7.61817100    3.77651200
 H                 -6.41284300   -8.62570000    2.40066200
 C                 -7.73396900   -0.89736500    0.16718700
 H                 -8.74691900   -0.54326900   -0.04527500
 H                 -7.11727000   -0.02025300    0.38003000
 H                 -7.34882800   -1.37246300   -0.74184300
 H                 -4.77600600   -5.18389600   -1.96195500
 H                 -3.51410200   -4.38371100   -0.98770300
 H                 -3.37146700   -6.10883900   -1.41565000
 H                 -5.11606100   -7.87042700    0.13637400
 H                 -9.89555800   -1.86548600    1.96214900
 H                 -2.37383800   -3.81751800    6.01169600
 C                  2.20268300    2.19232900    1.50663300
 C                  0.97603000    2.25051400    2.17337100
 C                 -0.08648700    1.44082800    1.76628500
 C                  0.05692900    0.55682000    0.68622800
 C                  1.29305600    0.50840300    0.02557800
 C                  2.35808300    1.31628800    0.42953500
 H                  0.84641400    2.92584600    3.01585600
 H                 -1.03747900    1.48441900    2.28964500
 H                  1.42175900   -0.17514200   -0.81162900
 H                  3.30958500    1.25855500   -0.09391800
 C                 -1.10461700   -0.28912600    0.21608500
 H                 -1.73774100   -0.56695100    1.05923600
 H                 -0.73827800   -1.22878300   -0.21415900
 C                 -1.95297600    0.43789700   -0.84643400
 H                 -2.30822000    1.39658100   -0.44625900
 H                 -1.30165300    0.69097300   -1.69366800
 C                 -3.12983200   -0.40005800   -1.36927300
 H                 -2.90755600   -1.46519000   -1.29656600
 H                 -3.33553400   -0.15127800   -2.41795700
 C                 -4.50327800   -0.16635000   -0.66276600
 H                 -5.22306600   -0.81693700   -1.16995900
 H                 -4.79642500    0.88078400   -0.78830500
 N                 -4.55853400   -0.54987500    0.73115500
 F                 -3.05955000   -2.77762300    0.39806800
 S                 -4.37410300    0.74575600    1.89078600
 O                 -4.42853100    2.03590900    1.18820300
 O                 -3.20042100    0.38047600    2.69063100
 C                 -5.82812800    0.56747600    2.88827700
 C                 -6.89922800    1.44702400    2.70822400
 C                 -5.85738500   -0.43912900    3.85915000
 C                 -8.02682900    1.29519500    3.51094200
 H                 -6.84286100    2.23406200    1.96389100
 C                 -6.99194400   -0.56911000    4.64942800
 H                 -5.01951100   -1.11561700    3.97002200
 C                 -8.09500600    0.28327800    4.48104300
 H                 -8.86752000    1.97148500    3.38203700
 H                 -7.02542800   -1.35444800    5.39932000
 C                 -9.34214300    0.07588900    5.29989100
 H                 -9.10336100   -0.16283400    6.34224700
 H                 -9.99055600    0.95769100    5.28814600
 H                 -9.91919300   -0.76791800    4.89822100
 H                  3.03072300    2.82058800    1.82529300

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        


