%nproc=8
%Mem=8000MB
%Chk=Tsl_3
#p SCRF(SMD,Solvent=toluene) B3LYP/genecp EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

0 1
 Cu                -4.93867200   -2.70966000    2.01117500
 N                 -5.05622000   -3.83477200    3.88821500
 N                 -4.80960200   -4.56408900    1.01050900
 N                 -7.01424400   -2.65223700    1.90484800
 N                 -5.97130300   -4.84851400    3.81426800
 C                 -4.50872000   -3.89712100    5.10738200
 N                 -5.80437800   -5.43629600    1.35564400
 C                 -4.09128700   -5.14465300    0.04448500
 N                 -7.61857200   -3.84850700    2.17858800
 C                 -7.98730300   -1.75063300    1.72463600
 B                 -6.77556300   -5.10268400    2.51114700
 C                 -6.00310300   -5.54240800    4.98080300
 C                 -5.07667800   -4.95788600    5.83646900
 C                 -3.44494900   -2.93631100    5.53995400
 C                 -5.71466100   -6.56618600    0.60585200
 C                 -4.62817700   -6.41471300   -0.24577600
 C                 -2.91516600   -4.45339200   -0.57111600
 C                 -8.96845900   -3.70046200    2.17554000
 C                 -9.24116100   -2.36953300    1.88596100
 H                 -7.51171300   -6.02979500    2.68207400
 C                 -6.90197500   -6.71580800    5.21881800
 C                 -6.66040900   -7.71978100    0.73454800
 C                 -9.92261100   -4.82206600    2.44655000
 H                 -3.83429400   -1.91450100    5.62756300
 H                 -3.04281900   -3.22230600    6.51691600
 H                 -2.61368200   -2.92253100    4.82511100
 H                 -6.76085800   -7.08867200    6.23796600
 H                 -7.95885000   -6.45091000    5.09760700
 H                 -6.69205800   -7.53814900    4.52484900
 H                 -9.76968300   -5.25535900    3.44197800
 H                -10.95108700   -4.45212400    2.39279600
 H                 -7.69629900   -7.41944600    0.53787300
 H                 -9.81678300   -5.63501600    1.71880400
 H                 -6.63567700   -8.16211600    1.73742600
 H                 -6.39163000   -8.49903400    0.01476800
 C                 -7.67987400   -0.31703400    1.43175900
 H                 -8.39363700    0.09832100    0.71137300
 H                 -7.73755300    0.29853600    2.33973900
 H                 -6.67511600   -0.21149600    1.01795700
 H                 -3.18241600   -3.97007300   -1.51841800
 H                 -2.54331100   -3.67686400    0.10051700
 H                 -2.10711400   -5.16611200   -0.77374700
 H                 -4.27410500   -7.12941800   -0.97640800
 H                -10.21710300   -1.91167700    1.79825000
 H                 -4.84277700   -5.26230200    6.84765700
 C                 -4.98836700    3.74614100    9.03999000
 C                 -5.01106600    4.39343700    7.80205300
 C                 -5.27136500    3.66885500    6.63722200
 C                 -5.51285200    2.28859100    6.68646300
 C                 -5.48788500    1.65138100    7.93513400
 C                 -5.22825800    2.37133200    9.10300600
 H                 -4.78952300    4.30921200    9.94815100
 H                 -4.83056100    5.46399400    7.74374300
 H                 -5.29131000    4.17953900    5.67642700
 H                 -5.67712400    0.58122100    7.99036200
 H                 -5.21791500    1.85968300   10.06219300
 C                 -5.73384500    1.49376200    5.41889000
 H                 -6.26527000    2.10440100    4.67718600
 H                 -6.37147900    0.62507400    5.62805000
 C                 -4.40872500    1.00154500    4.80545700
 H                 -3.77369100    1.86841500    4.57593700
 H                 -3.86569300    0.40997300    5.55499900
 C                 -4.64213100    0.16642800    3.54211200
 H                 -5.15803000    0.76390400    2.78702300
 H                 -5.28680800   -0.69047800    3.77310800
 C                 -3.32087500   -0.35715700    2.98050700
 H                 -2.82937400   -0.99539900    3.71462900
 H                 -2.62787900    0.44976300    2.71663300
 N                 -3.53664700   -1.25590000    1.81235000
 F                 -2.24062700   -1.94185000    1.66814400
 S                 -3.59975800   -0.35564500    0.21564600
 O                 -4.56738500    0.71937800    0.45332000
 O                 -3.82671800   -1.39373800   -0.78246200
 C                 -1.97671900    0.33667500    0.00740700
 C                 -0.96616200   -0.45264400   -0.55371300
 C                 -1.74417600    1.65708600    0.39912300
 C                  0.29562400    0.10414200   -0.72163500
 H                 -1.17456800   -1.47085700   -0.86213500
 C                 -0.46914300    2.19229500    0.22187700
 H                 -2.54802900    2.25699900    0.81187100
 C                  0.56534000    1.42966300   -0.33712600
 H                  1.08765100   -0.49543100   -1.16259300
 H                 -0.27966000    3.22107000    0.51489300
 C                  1.94216100    2.00915900   -0.53946100
 H                  2.21753700    1.99970000   -1.60141000
 H                  2.00411700    3.04214500   -0.18387300
 H                  2.69874900    1.41997300   -0.00668900

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        


