%nproc=12
%Mem=12000MB
%Chk=Tsl_6
#p SCRF(SMD,Solvent=toluene) B3LYP/genecp EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

0 3
 Cu                -4.38340000   -2.13443200    1.05500300
 N                 -3.95985200   -2.07237800    3.01077300
 N                 -4.25716800   -4.20248700    1.11289500
 N                 -6.51917500   -2.25420500    1.62176600
 N                 -4.62466700   -2.95227900    3.81883900
 C                 -3.18966800   -1.29784400    3.79112700
 N                 -4.88039200   -4.81849500    2.16141900
 C                 -3.78850500   -5.15397400    0.29631300
 N                 -6.79217400   -3.21018000    2.55772600
 C                 -7.68490300   -1.73777200    1.22785700
 B                 -5.62654500   -3.97574500    3.22143300
 C                 -4.27452700   -2.73753900    5.10920600
 C                 -3.35904000   -1.69096400    5.12835400
 C                 -2.31926900   -0.21415800    3.24158500
 C                 -4.81043500   -6.16431800    2.00717100
 C                 -4.11516800   -6.41425500    0.83010400
 C                 -3.01618700   -4.82533300   -0.93948400
 C                 -8.13363700   -3.30455300    2.75141800
 C                 -8.73872300   -2.37403500    1.91469600
 H                 -6.04115900   -4.68659000    4.08835600
 C                 -4.82446900   -3.53447500    6.24976900
 C                 -5.41612100   -7.12979000    2.97689300
 C                 -8.75451100   -4.26449300    3.71790700
 H                 -2.02241900   -0.43681400    2.21679100
 H                 -2.84057400    0.74823200    3.22040500
 H                 -1.41731000   -0.10264400    3.85228900
 H                 -4.37798100   -3.19119900    7.18745900
 H                 -5.91193700   -3.42620900    6.33119500
 H                 -4.60890900   -4.60313600    6.13888300
 H                 -8.43080100   -4.07355400    4.74783600
 H                 -9.84426500   -4.17360600    3.68429100
 H                 -6.50356700   -7.00796300    3.04466600
 H                 -8.49446600   -5.30327100    3.48260200
 H                 -5.01042600   -7.00230500    3.98707700
 H                 -5.20970500   -8.15449800    2.65420800
 C                 -7.72807700   -0.65442900    0.19620600
 H                 -6.80958500   -0.06351000    0.23559500
 H                 -7.81817500   -1.06648800   -0.81692700
 H                 -8.58158600    0.01187300    0.36148900
 H                 -3.29642100   -5.49732200   -1.75866800
 H                 -3.22452100   -3.79695400   -1.23720300
 H                 -1.94088000   -4.93961100   -0.76794200
 H                 -3.87289300   -7.38205200    0.41341000
 H                 -9.79853100   -2.17860200    1.82302800
 H                 -2.87257200   -1.27089600    5.99747500
 C                 -0.20614900   -5.81685500    1.35066700
 C                 -0.86714000   -4.83762700    2.10671800
 C                 -0.77330400   -3.49994900    1.75760700
 C                 -0.02259800   -3.07451400    0.61956900
 C                  0.63066800   -4.09192200   -0.13876800
 C                  0.54427900   -5.42831600    0.23101000
 H                 -0.28306000   -6.86559100    1.62302600
 H                 -1.47149800   -5.12421100    2.96311200
 H                 -1.29970300   -2.75615000    2.34701800
 H                  1.21125800   -3.82034700   -1.01520600
 H                  1.05802800   -6.18117400   -0.36220200
 C                  0.03760400   -1.69583900    0.30013800
 H                 -0.44848400   -1.01024900    0.98481700
 H                 -3.01478900   -1.09584500   -0.97746300
 C                  0.60119100   -1.09874800   -0.95114300
 H                  1.04175800   -0.11823900   -0.72248100
 H                  1.41390800   -1.71763000   -1.35030700
 C                 -0.44226700   -0.90406200   -2.08329300
 H                 -0.93406800   -1.86153500   -2.29938100
 H                  0.08605600   -0.60552600   -2.99846000
 C                 -1.50337800    0.16609100   -1.80705700
 H                 -2.05543800    0.38855900   -2.73206700
 H                 -1.02401600    1.09127200   -1.47149300
 N                 -2.42677100   -0.27326900   -0.74747600
 F                 -4.40506600   -2.07981300   -0.81546500
 S                 -3.41183800    0.85668600   -0.04066500
 O                 -2.58761100    1.94841600    0.48753900
 O                 -4.25783600    0.07553500    0.91027200
 C                 -4.49306900    1.51924600   -1.30159100
 C                 -5.32016700    0.63637300   -2.00549800
 C                 -4.47273700    2.88463300   -1.58299500
 C                 -6.14678300    1.15004600   -2.99982200
 H                 -5.30388600   -0.42419400   -1.77102400
 C                 -5.31280600    3.37608100   -2.58263000
 H                 -3.81419300    3.54461900   -1.02859600
 C                 -6.16149100    2.52264100   -3.30066700
 H                 -6.79465500    0.47365000   -3.55196000
 H                 -5.30712800    4.43958200   -2.80722300
 C                 -7.09164000    3.06382900   -4.35798100
 H                 -8.10692500    3.18479400   -3.95700400
 H                 -6.76332900    4.04276100   -4.72243800
 H                 -7.16269200    2.38499500   -5.21518800

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        


