%mem=8000MB
%nprocshared=8
%chk=Ts_4p-piper.chk
#p SCRF(SMD,Solvent=toluene) B3LYP/genecp EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

0 3
 Cu                -4.80049300   -2.43643500    1.08177200
 N                 -4.03197000   -2.78545600    3.16701600
 N                 -5.00799000   -4.50553100    0.95759800
 N                 -6.75862400   -2.47520700    1.73615500
 N                 -4.77755200   -3.64411900    3.92563000
 C                 -2.90964300   -2.52570100    3.84627800
 N                 -5.52180800   -5.15447400    2.04278900
 C                 -4.64619500   -5.42656900    0.05837600
 N                 -7.02929100   -3.30626700    2.79074900
 C                 -7.92121100   -1.91176000    1.36461000
 B                 -5.98359000   -4.34480800    3.28367800
 C                 -4.12930900   -3.92401700    5.08885800
 C                 -2.93570000   -3.21635500    5.07689800
 C                 -1.86200100   -1.61961500    3.28446400
 C                 -5.47906500   -6.49459500    1.83340600
 C                 -4.92891200   -6.70511000    0.57372800
 C                 -4.06348800   -5.02529000   -1.26002100
 C                 -8.34778700   -3.24785600    3.09728900
 C                 -8.94515100   -2.36068100    2.21116500
 H                 -6.49814500   -5.07796200    4.07542500
 C                 -4.67164300   -4.85636500    6.12696500
 C                 -5.95056200   -7.49469600    2.84195300
 C                 -8.97492400   -4.02945700    4.20859800
 H                 -1.88324000   -0.63232000    3.75697000
 H                 -0.86116500   -2.03835900    3.43684400
 H                 -2.02746100   -1.48748000    2.21495200
 H                 -4.01333600   -4.86024700    7.00072800
 H                 -5.67462500   -4.56311600    6.45809400
 H                 -4.74156200   -5.88505800    5.75363500
 H                 -8.47249400   -3.85017500    5.16520800
 H                -10.02483100   -3.74014900    4.31319200
 H                 -7.01084200   -7.36066200    3.08542100
 H                 -8.93981600   -5.10819200    4.01946800
 H                 -5.38831400   -7.42002500    3.77989200
 H                 -5.81887000   -8.50659100    2.44774500
 C                 -8.06776800   -0.99537200    0.19271700
 H                 -9.12111000   -0.73057300    0.06232600
 H                 -7.50854400   -0.06474100    0.31513100
 H                 -7.72953000   -1.47721900   -0.73141100
 H                 -4.84345600   -4.92143900   -2.02689400
 H                 -3.54918500   -4.06731500   -1.14609200
 H                 -3.35015600   -5.77587100   -1.61621400
 H                 -4.75359100   -7.65877100    0.09524900
 H                 -9.98816500   -2.07962100    2.17428500
 H                 -2.17983200   -3.20827200    5.85046100
 C                  2.23729900    0.74378100    2.46618700
 C                  0.92668700    1.15369400    2.72625700
 C                 -0.09213700    0.88828100    1.80964000
 C                  0.17587400    0.20662100    0.61097300
 C                  1.49603000   -0.19436100    0.36189800
 C                  2.51801100    0.06608300    1.27844300
 H                  0.69424900    1.67989600    3.64931100
 H                 -1.10808000    1.19670200    2.03311600
 H                  1.72494100   -0.72323800   -0.56116100
 H                  3.53311500   -0.25832300    1.06147000
 C                 -0.92714900   -0.10437800   -0.37950400
 H                 -1.57838500   -0.88665100    0.02726400
 H                 -0.47829200   -0.52721300   -1.28929000
 C                 -2.73538400    0.83625300   -1.94400500
 H                 -3.29305700    1.75278800   -2.18195400
 H                 -2.11936900    0.61957800   -2.82947000
 C                 -3.71862700   -0.33604500   -1.80912200
 H                 -3.24591300   -1.23385100   -1.40908200
 H                 -4.10018800   -0.57496600   -2.80963800
 C                 -5.01146900   -0.07556200   -0.96515800
 H                 -5.75132000   -0.79764500   -1.32496800
 H                 -5.37673900    0.94076000   -1.14414100
 N                 -4.89924400   -0.35431100    0.45127700
 F                 -3.14156000   -2.45365200    0.26774400
 S                 -4.75831600    1.02200800    1.51292400
 O                 -5.01539400    2.25158800    0.75034800
 O                 -3.48087400    0.82255900    2.20501400
 C                 -6.08759200    0.75873100    2.65629600
 C                 -7.25810100    1.51311500    2.53639700
 C                 -5.92602300   -0.19197500    3.66881200
 C                 -8.29001300    1.28978200    3.44420400
 H                 -7.34974000    2.26028500    1.75558900
 C                 -6.96703900   -0.39382400    4.56565500
 H                 -5.01704300   -0.77662700    3.73098900
 C                 -8.16472700    0.33124000    4.46207400
 H                 -9.20657800    1.86762200    3.36281900
 H                 -6.85116200   -1.13637400    5.34997800
 C                 -9.30341200    0.04691300    5.40644500
 H                 -8.94708600   -0.08724000    6.43395800
 H                -10.04868500    0.84841000    5.40218600
 H                 -9.81140800   -0.88256300    5.11609200
 H                  3.02969600    0.94958400    3.18160100
 C                 -1.78800200    1.11161600   -0.76721500
 H                 -1.13133900    1.94553900   -1.05057700
 H                 -2.35082700    1.45775800    0.10327500

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 -Cl 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        




