%nprocshared=24
%mem=96GB
#p SCRF(SMD,Solvent=toluene) B3LYP/genecp EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

Title Card Required

0 1
 Cu                -4.04187500   -2.74118000    1.50811300
 N                 -4.05226400   -2.48568300    3.55835300
 N                 -4.11419600   -4.84181100    1.73877100
 N                 -6.14042800   -2.66640000    1.26751800
 N                 -5.05600600   -3.20975500    4.14938300
 C                 -3.32780700   -1.93769300    4.54305000
 N                 -5.09124000   -5.22221100    2.61424200
 C                 -3.51172700   -5.95108400    1.30417500
 N                 -6.77658700   -3.36401200    2.25977900
 C                 -7.07560300   -2.29114500    0.38666400
 B                 -5.96866200   -4.14982300    3.31803800
 C                 -4.96377600   -3.11180600    5.50108200
 C                 -3.87650400   -2.29561500    5.78821600
 C                 -2.13010700   -1.08618800    4.26773000
 C                 -5.10806200   -6.57655200    2.72933900
 C                 -4.10917700   -7.07855500    1.90366300
 C                 -2.37524800   -5.86794500    0.33370200
 C                 -8.10982000   -3.42370100    2.00308000
 C                 -8.33825600   -2.74084000    0.81634000
 H                 -6.72968900   -4.69633100    4.05998500
 C                 -5.88487200   -3.81438200    6.44982800
 C                 -6.06760000   -7.31393300    3.61067900
 C                 -9.09196100   -4.12098900    2.89138100
 H                 -2.41323800   -0.03733700    4.13167900
 H                 -1.42003500   -1.14285500    5.09952100
 H                 -1.61863000   -1.42763700    3.36123500
 H                 -5.67021600   -3.49523200    7.47417200
 H                 -6.93810500   -3.60190700    6.23853200
 H                 -5.76085900   -4.90295100    6.40238900
 H                 -9.06368600   -3.72864900    3.91356800
 H                -10.10445700   -3.98183100    2.50050300
 H                 -7.10974600   -7.12283500    3.32837300
 H                 -8.89862500   -5.19868300    2.94988200
 H                 -5.95908200   -7.02604600    4.66298300
 H                 -5.88810700   -8.39058700    3.53440600
 C                 -6.72919700   -1.50545200   -0.83766800
 H                 -7.33400200   -1.83009900   -1.69157100
 H                 -6.90302500   -0.43401100   -0.68657200
 H                 -5.67422400   -1.64442400   -1.09387400
 H                 -2.60792700   -6.37950200   -0.60868800
 H                 -2.15749000   -4.81870800    0.10749100
 H                 -1.46672000   -6.32953100    0.74023100
 H                 -3.85142800   -8.11917900    1.75997600
 H                 -9.29151200   -2.58938600    0.32870200
 H                 -3.52206600   -2.00827700    6.76850200
 C                  1.56490300   -0.07580100   -2.69204900
 C                  0.99965900   -1.34420000   -2.53379700
 C                  0.01254500   -1.55682800   -1.57436600
 C                 -0.44096800   -0.50554600   -0.75973900
 C                  0.14293300    0.76024200   -0.91812200
 C                  1.13767900    0.97131200   -1.87658400
 H                  1.32866200   -2.17106600   -3.15725600
 H                 -0.41690300   -2.54782800   -1.46197300
 H                 -0.15761600    1.58926200   -0.28772600
 H                  1.57517900    1.96030500   -1.98201700
 C                 -1.45206900   -0.77028400    0.33382100
 H                 -1.01979500   -1.44474600    1.07742200
 H                 -5.00103900   -0.38000900    1.30295200
 C                 -2.09132100    0.40733100    1.05942900
 H                 -2.72585700    0.00374900    1.85002700
 H                 -1.26621200    0.90558800    1.58563000
 C                 -2.88704300    1.45751900    0.26454900
 H                 -2.39506500    1.69760300   -0.68432100
 H                 -2.88257900    2.37890300    0.85780100
 C                 -4.35398500    1.11211800   -0.05690000
 H                 -4.41682600    0.35377800   -0.83862000
 H                 -4.85014300    2.01097700   -0.43392200
 N                 -5.17691300    0.59413500    1.04804500
 S                 -5.35881800    1.54096000    2.42203900
 O                 -5.69436200    2.88962200    1.93896100
 O                 -4.23190900    1.38771200    3.36292500
 C                 -6.79055700    0.76515400    3.15327300
 C                 -8.06190500    1.10834100    2.68284600
 C                 -6.61823700   -0.17802900    4.16362800
 C                 -9.17436700    0.49379300    3.24547800
 H                 -8.16892500    1.84923700    1.89732000
 C                 -7.74838300   -0.78608400    4.71136500
 H                 -5.62554000   -0.42850000    4.51855700
 C                 -9.03505000   -0.46264000    4.26618400
 H                -10.16821900    0.75619200    2.89095800
 H                 -7.62092500   -1.52090500    5.50035700
 C                -10.25730200   -1.11509200    4.86384600
 H                -10.90701600   -0.37111000    5.34222100
 H                -10.85588800   -1.61538400    4.09313900
 H                 -9.99006800   -1.85983100    5.62022600
 H                  2.33401900    0.09114400   -3.44113400
 Cl                -2.84204700   -1.88917200   -0.33675500

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        



