%nproc=8
%Mem=8000MB
%Chk=Clh_c2
#p SCRF(SMD,Solvent=toluene) B3LYP/genecp EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

0 3
 Cu                -4.38167900   -2.91646100    1.27910800
 N                 -4.33302500   -3.29183300    3.65236400
 N                 -5.05564900   -4.81263000    1.17222100
 N                 -6.35169100   -2.38789700    1.29378700
 N                 -5.54437700   -3.74281400    4.09973600
 C                 -3.52681200   -3.23620200    4.71969600
 N                 -6.00904700   -5.19160100    2.07698300
 C                 -4.79573600   -5.85829400    0.37804000
 N                 -7.12941500   -2.96116500    2.26240200
 C                 -7.11648100   -1.52018300    0.61373300
 B                 -6.61283400   -4.17277100    3.08163100
 C                 -5.51088200   -3.95544800    5.44371800
 C                 -4.23349000   -3.63205100    5.87668900
 C                 -2.08998800   -2.82038200    4.62733200
 C                 -6.34177900   -6.48860800    1.86224300
 C                 -5.58785800   -6.94509300    0.78735400
 C                 -3.81649300   -5.78282000   -0.74962500
 C                 -8.37967000   -2.43953100    2.20865000
 C                 -8.40543300   -1.51540200    1.17081100
 H                 -7.53253300   -4.67606200    3.65382800
 C                 -6.68581100   -4.43964400    6.23487200
 C                 -7.35708100   -7.21980100    2.68292500
 C                 -9.48022800   -2.85406200    3.13366200
 H                 -1.92493100   -1.82189300    5.05456500
 H                 -1.45717100   -3.51473100    5.19247700
 H                 -1.75154800   -2.82554400    3.58817900
 H                 -6.42755800   -4.47089200    7.29751700
 H                 -7.55390100   -3.78060000    6.11749300
 H                 -6.99824900   -5.44605300    5.93272700
 H                 -9.18824100   -2.74571100    4.18410100
 H                -10.36189700   -2.23085700    2.95891000
 H                 -8.35482200   -6.77616900    2.58589600
 H                 -9.76748500   -3.90059200    2.98039000
 H                 -7.09742700   -7.21360500    3.74757400
 H                 -7.41462700   -8.26121900    2.35332300
 C                 -6.60185300   -0.72922500   -0.54313500
 H                 -7.39890100   -0.57548300   -1.27804900
 H                 -6.24059600    0.25740500   -0.23459600
 H                 -5.77364200   -1.24357600   -1.03621900
 H                 -4.11628900   -6.46061100   -1.55596700
 H                 -3.75351500   -4.76557000   -1.14543400
 H                 -2.80927300   -6.06259700   -0.42228400
 H                 -5.61327400   -7.93414200    0.35172900
 H                 -9.25178400   -0.92487800    0.84899900
 H                 -3.85815200   -3.68653500    6.88953500
 C                 -6.10138700    0.72477000    9.61633400
 C                 -6.43044000    1.83493300    8.83614700
 C                 -6.50473800    1.71795600    7.44529400
 C                 -6.25339400    0.49396300    6.81279400
 C                 -5.92182700   -0.61453100    7.60789600
 C                 -5.84604500   -0.50208900    8.99608900
 H                 -6.04547700    0.81331100   10.69824300
 H                 -6.63191900    2.79283400    9.30932800
 H                 -6.76291200    2.58692700    6.84352500
 H                 -5.71374100   -1.56781800    7.12693400
 H                 -5.59056900   -1.37269300    9.59543800
 C                 -6.29597400    0.35615700    5.30653500
 H                 -6.84157000    1.19843300    4.86277100
 H                 -6.84762300   -0.55460600    5.03667200
 C                 -4.88898200    0.26545900    4.68346100
 H                 -4.33891800    1.19763800    4.87020800
 H                 -4.33721500   -0.53899100    5.18542100
 C                 -4.96118700   -0.04148900    3.18610600
 H                 -5.44012000    0.77265900    2.63026800
 H                 -5.56176000   -0.93981600    3.03917900
 C                 -3.56016600   -0.29761000    2.58682600
 H                 -3.02847800   -0.99941900    3.23122700
 H                 -2.98042600    0.62804000    2.52971900
 N                 -3.67381100   -0.96424000    1.30224300
 S                 -3.18899600   -0.02851300   -0.07622100
 O                 -3.95837200    1.22276400    0.03588200
 O                 -3.33445300   -0.90171000   -1.24042800
 C                 -1.46802900    0.34168000    0.18197000
 C                 -1.11289800    1.56605800    0.75541200
 C                 -0.50196600   -0.58868800   -0.21663600
 C                  0.23794700    1.85094900    0.94503600
 H                 -1.87761500    2.28585200    1.02603400
 C                  0.83899300   -0.28005800   -0.02088000
 H                 -0.80317100   -1.53187400   -0.65544200
 C                  1.23031500    0.93654700    0.56438700
 H                  0.52476000    2.80034800    1.38892200
 H                  1.59836000   -0.99545100   -0.32552200
 C                  2.69270400    1.24565300    0.76249100
 H                  3.19995200    1.37079200   -0.20285300
 H                  2.83900900    2.16410000    1.33928500
 H                  3.20119500    0.42795200    1.28712700
 Cl                -2.12109700   -3.38016800    0.95468600

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 Cl 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        


