%nproc=8
%Mem=8000MB
%Chk=Tsl_3F
#p SCRF(SMD,Solvent=toluene) B3LYP/genecp EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

0 1
Cu                -4.26998000   -1.74954000    1.86669500
 N                 -4.60738800   -3.31133800    3.20599300
 N                 -3.82333700   -3.05142400    0.31161700
 N                 -6.36291200   -1.57189100    1.52830500
 N                 -5.48454500   -4.21107500    2.66083200
 C                 -4.37573500   -3.69497600    4.46406200
 N                 -4.77328600   -4.03673900    0.22962500
 C                 -2.83694900   -3.38418700   -0.53199100
 N                 -6.84034300   -2.76856300    1.06455300
 C                 -7.37625200   -0.69984700    1.49118700
 B                 -5.98571500   -4.05897900    1.19469700
 C                 -5.80410600   -5.15947100    3.57971800
 C                 -5.10947900   -4.86155600    4.74714000
 C                 -4.38507300   -4.98283100   -0.66638600
 C                 -3.15520400   -4.59304300   -1.17805000
 C                 -8.14880100   -2.64146300    0.71126800
 C                 -8.52348900   -1.32883400    0.96556800
 H                 -6.67023200   -5.00006000    0.92208900
 C                 -6.74098000   -3.39546200   -5.00612700
 C                 -6.52639100   -3.68127100   -3.65405100
 C                 -6.37007700   -2.64475300   -2.73382300
 C                 -6.42111500   -1.30346000   -3.14651000
 C                 -6.63235100   -1.02988400   -4.50308300
 C                 -6.79341200   -2.06581000   -5.42801200
 H                 -6.86443100   -4.20250100   -5.72389900
 H                 -6.47732900   -4.71348100   -3.31671400
 H                 -6.19718500   -2.86999500   -1.68475900
 H                 -6.67178100    0.00443800   -4.83898400
 H                 -6.95925900   -1.83218000   -6.47695400
 C                 -6.20515500   -0.19935700   -2.13542500
 H                 -6.82344900   -0.39567000   -1.24968800
 H                 -6.53193400    0.76398400   -2.54779600
 C                 -4.73406700   -0.10727900   -1.68768200
 H                 -4.41442300   -1.10203200   -1.35722100
 H                 -4.10018400    0.16730800   -2.54190500
 C                 -4.54005500    0.86943400   -0.52278500
 H                 -5.24245800    0.59110600    0.26349600
 H                 -4.76199900    1.90225600   -0.81658000
 C                 -3.12679900    0.77010600    0.05309500
 H                 -2.39731100    1.34576300   -0.52825600
 H                 -2.79888700   -0.27389300    0.08648500
 N                 -3.06761400    1.34183800    1.40871300
 F                 -3.87243100    0.40005400    2.23513400
 S                 -1.45148600    1.12014100    2.12218800
 O                 -0.66522900    2.16435200    1.45956400
 O                 -1.06512600   -0.29383200    2.03340400
 C                 -1.77327100    1.53759300    3.81552600
 C                 -1.66236600    2.86863200    4.22398300
 C                 -2.14949500    0.52373300    4.69845000
 C                 -1.93355200    3.17943600    5.55333400
 H                 -1.36538400    3.63691500    3.51803500
 C                 -2.42083900    0.85927000    6.02169300
 H                 -2.23083600   -0.49981600    4.35324000
 C                 -2.31786600    2.18552800    6.46869500
 H                 -1.84863900    4.21026800    5.88731100
 H                 -2.71771400    0.07873200    6.71701400
 H                 -9.49818200   -0.89089200    0.79852600
 H                 -5.13327600   -5.41667700    5.67496600
 H                 -2.56759300   -5.11571500   -1.92015700
 C                 -2.58685800    2.54061100    7.90925500
 H                 -1.64531400    2.70022900    8.45132900
 H                 -3.16656200    3.46700100    7.99067700
 H                 -3.13516400    1.74668800    8.42582200
 C                 -7.21505900    0.70651900    1.98094300
 H                 -7.37418100    1.43830400    1.17914200
 H                 -7.94308600    0.92952000    2.77057800
 H                 -6.21211700    0.85511000    2.38975800
 C                 -8.95719600   -3.75675400    0.12636600
 H                 -8.53330600   -4.10099400   -0.82456100
 H                 -9.01225200   -4.62276700    0.79535700
 H                 -9.97683700   -3.41079400   -0.06773400
 C                 -6.74368000   -6.29204900    3.30478800
 H                 -6.38165600   -6.93690400    2.49556800
 H                 -6.85281500   -6.90671700    4.20342100
 H                 -7.73902000   -5.93528000    3.01544100
 C                 -3.45744800   -2.90817200    5.34767100
 H                 -3.83913100   -1.89159800    5.50430800
 H                 -3.35458600   -3.38595600    6.32697600
 H                 -2.45715600   -2.82518100    4.90501100
 C                 -1.62124800   -2.52912500   -0.70629300
 H                 -0.75632200   -3.14445600   -0.97635600
 H                 -1.75654200   -1.79127800   -1.50834400
 H                 -1.38119600   -1.99103100    0.21576200
 C                 -5.19135000   -6.20332300   -0.98464600
 H                 -5.22605200   -6.90121700   -0.13911400
 H                 -6.22650100   -5.95611700   -1.24167700
 H                 -4.74329100   -6.72719800   -1.83438200

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        


