%nprocshared=24
%mem=96000MB
%chk=Cl_TS-c2p-c3_2-noHCl.chk
#p SCRF(SMD,Solvent=toluene) B3LYP/genecp EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

Title Card Required

0 3
 Cu                -4.83015300   -2.56683800    1.47628800
 N                 -4.14728900   -3.19465600    3.52052800
 N                 -4.90750600   -4.54339400    1.13925600
 N                 -6.83159300   -2.60656000    1.87188400
 N                 -5.06899200   -4.01017300    4.12773200
 C                 -3.10957300   -3.08123500    4.35734200
 N                 -5.60763300   -5.29331900    2.03879300
 C                 -4.43424000   -5.36335600    0.19302200
 N                 -7.21159400   -3.52341500    2.81326000
 C                 -7.92028200   -1.90964200    1.51656300
 B                 -6.22071700   -4.61237400    3.29768000
 C                 -4.61682900   -4.39244000    5.35291600
 C                 -3.37248800   -3.80875100    5.53681800
 C                 -1.87636200   -2.31549700    3.99603100
 C                 -5.57694800   -6.59437900    1.66361100
 C                 -4.83729300   -6.67622300    0.48585500
 C                 -3.62533500   -4.83644300   -0.95073900
 C                 -8.53760700   -3.39482900    3.06525300
 C                 -9.02041600   -2.37117300    2.25706500
 H                 -6.81159200   -5.42301300    3.94625400
 C                 -5.38167900   -5.29688000    6.26834000
 C                 -6.24419500   -7.68245800    2.44356800
 C                 -9.27032600   -4.23887100    4.05990700
 H                 -1.80821400   -1.37069300    4.54392300
 H                 -0.98353600   -2.90934300    4.22601200
 H                 -1.87982900   -2.06765500    2.93361500
 H                 -4.86248100   -5.37344800    7.22817200
 H                 -6.39446200   -4.92402700    6.45842700
 H                 -5.47942200   -6.30829800    5.85595100
 H                 -8.83069200   -4.15717400    5.06030300
 H                -10.31325200   -3.91442700    4.11911100
 H                 -7.32258600   -7.51095300    2.53545900
 H                 -9.25885700   -5.29912900    3.78332700
 H                 -5.83698700   -7.76042900    3.45801800
 H                 -6.09401700   -8.64282800    1.94220400
 C                 -7.88424200   -0.84742000    0.46604800
 H                 -8.77995400   -0.22305600    0.52590800
 H                 -7.01226500   -0.20485000    0.58873500
 H                 -7.84586300   -1.28491900   -0.53966400
 H                 -3.17840000   -5.65731400   -1.51877900
 H                 -4.24300300   -4.24733900   -1.64018700
 H                 -2.81612900   -4.18890700   -0.59368200
 H                 -4.61885100   -7.57026200   -0.08112700
 H                -10.03717300   -2.00755300    2.20815600
 H                 -2.73366800   -3.90572600    6.40395500
 C                  1.99998100    2.10022700    1.41160100
 C                  1.50239800    1.03278700    2.17532600
 C                  0.41522200    0.29630400    1.73067700
 C                 -0.22699800    0.59753500    0.49328000
 C                  0.29284200    1.69011800   -0.26056100
 C                  1.38354400    2.41978300    0.19415800
 H                  1.96855400    0.78445900    3.12588100
 H                  0.02420200   -0.51833600    2.33463100
 H                 -0.17296800    1.95747800   -1.20428600
 H                  1.75956800    3.24865300   -0.40116100
 C                 -1.33349200   -0.17112500    0.06069400
 H                 -1.65937700   -0.98643900    0.69798900
 C                 -2.11987400    0.10390300   -1.18556700
 H                 -2.47971400    1.14401700   -1.17489500
 H                 -1.45581000    0.03313600   -2.06340600
 C                 -3.31444100   -0.83648700   -1.40807600
 H                 -2.99851400   -1.87795600   -1.25937200
 H                 -3.64458600   -0.75305200   -2.45294300
 C                 -4.54731800   -0.56279100   -0.52921900
 H                 -5.35457300   -1.22951400   -0.86194100
 H                 -4.88712200    0.46640900   -0.68735500
 N                 -4.31254800   -0.83752100    0.89964700
 S                 -4.08538900    0.48789100    1.90055600
 O                 -3.94358900    1.70332100    1.07454500
 O                 -3.04461500    0.14740900    2.88088200
 C                 -5.61518900    0.64614000    2.82929200
 C                 -6.52780300    1.64597200    2.49788700
 C                 -5.88287600   -0.25810100    3.86269000
 C                 -7.73628100    1.72134600    3.19393800
 H                 -6.29239100    2.34999700    1.70674700
 C                 -7.09072200   -0.16881700    4.54410500
 H                 -5.16248400   -1.02917900    4.10985000
 C                 -8.04134300    0.81134800    4.21368900
 H                 -8.45245800    2.49782500    2.93643100
 H                 -7.30751200   -0.87943800    5.33796000
 C                 -9.36733100    0.85148200    4.93151500
 H                 -9.23396700    0.85254700    6.02016900
 H                 -9.95027100    1.73811100    4.66138400
 H                 -9.96788400   -0.03359100    4.68247400
 H                  2.85113500    2.67700300    1.76319200

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        




