%nproc=8
%Mem=12000MB
%Chk=Tsl_7
#p SCRF(SMD,Solvent=toluene) B3LYP/genecp EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

0 1
 Cu                -4.34343700   -2.13402000    1.12548500
 N                 -4.19190200   -1.96026000    3.16947300
 N                 -4.23846000   -4.26154600    1.09657100
 N                 -6.46617600   -2.33439400    1.13736400
 N                 -5.00342400   -2.86798600    3.80488300
 C                 -3.60309500   -1.22532100    4.12411200
 N                 -4.90310800   -4.81234400    2.15336600
 C                 -3.63532100   -5.25278600    0.43886400
 N                 -6.87020800   -3.22760800    2.09301500
 C                 -7.51676800   -2.09868500    0.34710700
 B                 -5.83194600   -3.91925400    3.01944100
 C                 -4.92350500   -2.69904400    5.15069500
 C                 -4.03746900   -1.65714900    5.39024300
 C                 -2.60385700   -0.15876500    3.80604000
 C                 -4.71038300   -6.15915900    2.17153000
 C                 -3.89886900   -6.47783900    1.08883200
 C                 -2.84197900   -4.95939600   -0.79610100
 C                 -8.17793700   -3.55148100    1.90125600
 C                 -8.62778100   -2.84067900    0.79655900
 H                 -6.41179100   -4.61121800    3.80483000
 C                 -5.68743900   -3.52389900    6.13958500
 C                 -5.30913700   -7.06143400    3.20555100
 C                 -8.92095700   -4.52721800    2.75986600
 H                 -2.80145000    0.31147200    2.84108900
 H                 -2.61647900    0.62355800    4.57242400
 H                 -1.58391200   -0.56140500    3.76487600
 H                 -5.45887000   -3.18410000    7.15438200
 H                 -6.77000400   -3.44293200    5.98957500
 H                 -5.42913800   -4.58697200    6.07280400
 H                 -8.88722000   -4.24971100    3.81947900
 H                 -9.97037400   -4.56570300    2.45180500
 H                 -6.40530000   -7.03543100    3.18750500
 H                 -8.50693300   -5.53925100    2.67590200
 H                 -4.99640500   -6.78479800    4.21937200
 H                 -4.99337400   -8.09347200    3.02441400
 C                 -7.40082700   -1.18105600   -0.82975200
 H                 -7.96303500   -0.25024600   -0.68143400
 H                 -6.35115400   -0.92613500   -1.00296100
 H                 -7.79430400   -1.65537600   -1.73703700
 H                 -3.25703500   -5.47995900   -1.66888800
 H                 -2.86187200   -3.88375700   -0.99292600
 H                 -1.79760400   -5.27144400   -0.69001100
 H                 -3.55534800   -7.46447600    0.80773300
 H                 -9.62381800   -2.86208200    0.37498600
 H                 -3.74555100   -1.26315800    6.35420800
 C                 -0.35535400   -4.40461400    1.67862800
 C                 -1.12490100   -3.27084500    1.94567600
 C                 -0.99227200   -2.13450900    1.14985000
 C                 -0.11936000   -2.11137600    0.05169400
 C                  0.64403800   -3.25691200   -0.20888400
 C                  0.53165900   -4.39058000    0.60211700
 H                 -1.85007200   -3.26883000    2.75286300
 H                 -1.58313000   -1.25724900    1.38488700
 H                  1.34158800   -3.28347200   -1.03908700
 H                  1.13473300   -5.26711500    0.37924800
 C                  0.03104700   -0.82455200   -0.75564600
 H                  0.57283000   -0.10673800   -0.13369900
 H                 -2.54983000   -1.06279100   -0.70213200
 C                  0.67944400   -0.93400500   -2.14547300
 H                  1.12366200    0.03453800   -2.40045600
 H                  1.47034400   -1.68249500   -2.19804800
 C                 -0.50504000   -1.21919100   -3.07209100
 H                 -0.86626100   -2.24427600   -2.93226300
 H                 -0.27609400   -1.07231300   -4.13130400
 C                 -1.53871600   -0.21279900   -2.57315000
 H                 -2.57428700   -0.47244800   -2.79612200
 H                 -1.31880200    0.78245400   -2.97012900
 N                 -1.35112500   -0.22358500   -1.07291500
 F                 -3.44598800   -1.55315600   -0.70358100
 S                 -1.50519800    1.37134500   -0.35451500
 O                 -0.67640800    2.31210000   -1.12070400
 O                 -1.25853800    1.16402500    1.07650400
 C                 -3.22249600    1.74778500   -0.61540700
 C                 -3.58767900    2.60419900   -1.65713300
 C                 -4.17333300    1.20955400    0.25480200
 C                 -4.93541500    2.91270200   -1.82676600
 H                 -2.82963600    3.03067400   -2.30516900
 C                 -5.51235700    1.53482200    0.07091800
 H                 -3.88478300    0.54685400    1.06220800
 C                 -5.91504600    2.38411700   -0.97130600
 H                 -5.23073400    3.58087400   -2.63150100
 H                 -6.25137600    1.11039900    0.74350700
 H                 -0.46320800   -5.29498500    2.29157900
 C                 -7.37408600    2.69473400   -1.18878300
 H                 -7.81162400    1.99568900   -1.91398000
 H                 -7.94669900    2.60529800   -0.26010800
 H                 -7.51614300    3.70597600   -1.58499200

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        


