%nproc=8
%Mem=12000MB
%Chk=Tsl_MECP_4-3_S
#p SCRF(SMD,Solvent=toluene) B3LYP/genecp EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

0 1
 Cu                -4.89756500   -2.52892400    1.72541000
 N                 -4.98008800   -3.44589700    3.76683600
 N                 -4.89206700   -4.43930300    1.07473000
 N                 -6.91519500   -2.45188400    1.57642000
 N                 -6.01474700   -4.32970700    3.90518100
 C                 -4.27744000   -3.47970000    4.90311000
 N                 -5.85058900   -5.26936900    1.57765400
 C                 -4.10909100   -5.14879100    0.25658200
 N                 -7.59940200   -3.52289500    2.07920600
 C                 -7.80795000   -1.60600100    1.04520700
 B                 -6.83594900   -4.73999400    2.65795100
 C                 -5.97231400   -4.90916800    5.13498700
 C                 -4.87735200   -4.37973400    5.80605400
 C                 -3.02564600   -2.67447500    5.06351100
 C                 -5.67322700   -6.51784200    1.07708500
 C                 -4.57318500   -6.47747400    0.22526000
 C                 -2.95827600   -4.50151800   -0.44850900
 C                 -8.92899200   -3.34627600    1.88169100
 C                 -9.09836000   -2.13019600    1.22701700
 H                 -7.61564700   -5.59791000    2.94821000
 C                 -6.95531500   -5.93970800    5.59545200
 C                 -6.54600300   -7.67544000    1.44823300
 C                 -9.96408200   -4.33316000    2.32157300
 H                 -3.22105000   -1.68975800    5.50711500
 H                 -2.31975700   -3.19119500    5.72252900
 H                 -2.54433900   -2.52945600    4.09109100
 H                 -6.76397100   -6.18881700    6.64354500
 H                 -7.98841400   -5.58365000    5.51422700
 H                 -6.88204500   -6.86409500    5.01000700
 H                 -9.91835200   -4.51703200    3.40081500
 H                -10.96085000   -3.94986200    2.08448200
 H                 -7.59797000   -7.48673900    1.20565500
 H                 -9.84302000   -5.29988300    1.81979000
 H                 -6.49327400   -7.89397000    2.52137200
 H                 -6.22680400   -8.56956200    0.90479200
 C                 -7.38368200   -0.35363800    0.34918300
 H                 -8.24454400    0.29595900    0.16458400
 H                 -6.64676500    0.20412600    0.93169100
 H                 -6.91371900   -0.58062600   -0.61479800
 H                 -3.26958200   -4.07332500   -1.40906300
 H                 -2.55488000   -3.68865000    0.16346700
 H                 -2.16464900   -5.23059600   -0.64325300
 H                 -4.16120100   -7.30276000   -0.33883500
 H                -10.03412900   -1.68725200    0.91581700
 H                 -4.54963700   -4.62628000    6.80681000
 C                 -5.11255700    2.90001300    9.52532900
 C                 -5.75292400    3.56217800    8.47520400
 C                 -6.01306300    2.89099400    7.27834900
 C                 -5.64095400    1.55063200    7.10939600
 C                 -5.00011800    0.89661700    8.17217500
 C                 -4.73664600    1.56311700    9.37002200
 H                 -4.91101000    3.42024600   10.45812900
 H                 -6.05285900    4.60102500    8.58817500
 H                 -6.51411200    3.41072500    6.46428100
 H                 -4.70884300   -0.14582900    8.05756300
 H                 -4.24179800    1.03812700   10.18339300
 C                 -5.86834600    0.83631100    5.79633400
 H                 -6.74462200    1.25320500    5.28350200
 H                 -6.08698300   -0.22332800    5.98360700
 C                 -4.64334800    0.92434300    4.86395500
 H                 -4.43274800    1.97595600    4.62840100
 H                 -3.76462700    0.54663800    5.40367900
 C                 -4.85367500    0.11352200    3.58088900
 H                 -5.60875700    0.59079400    2.94668800
 H                 -5.23317900   -0.88092500    3.83983200
 C                 -3.55427500   -0.06478900    2.78632400
 H                 -2.78990800   -0.52636100    3.41040400
 H                 -3.16350300    0.89467400    2.43509600
 N                 -3.76986500   -0.99048100    1.65978800
 F                 -2.16989900   -1.94214100    1.65257100
 S                 -3.60985800   -0.24871600    0.06710800
 O                 -4.40548800    0.98627700    0.15875600
 O                 -3.97030000   -1.30587000   -0.88051700
 C                 -1.89961500    0.19310100   -0.15256100
 C                 -1.49045100    1.49770500    0.13626800
 C                 -1.00631400   -0.76223600   -0.64199100
 C                 -0.15679300    1.84305600   -0.07024300
 H                 -2.20761200    2.22995500    0.49091800
 C                  0.31918000   -0.39321900   -0.84844100
 H                 -1.35010200   -1.76482000   -0.86450200
 C                  0.76599400    0.90680800   -0.56325200
 H                  0.16901600    2.85752300    0.14653300
 H                  1.01937200   -1.12768700   -1.23793100
 C                  2.20733700    1.29686700   -0.78091400
 H                  2.72152900    1.45402800    0.17644600
 H                  2.75526900    0.52405900   -1.32895400
 H                  2.28524300    2.23321800   -1.34624400

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        


