%nproc=8
%Mem=8000MB
%Chk=Clh_c1
#p SCRF(SMD,Solvent=toluene) B3LYP/genecp EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

0 1
 Cu                -4.81990000   -2.79861300    1.94831200
 N                 -4.88724900   -3.83924000    3.90005000
 N                 -4.96540200   -4.67283500    0.97291800
 N                 -6.90401200   -2.55504500    1.97154100
 N                 -5.88137400   -4.78033600    3.91194700
 C                 -4.24891600   -3.94406900    5.07288600
 N                 -5.97931500   -5.44932500    1.46521800
 C                 -4.42276600   -5.33946300   -0.05201000
 N                 -7.56918900   -3.68385600    2.36855100
 C                 -7.82989000   -1.61122000    1.75471800
 B                 -6.80737800   -4.99144500    2.68806100
 C                 -5.87067000   -5.46852300    5.08240600
 C                 -4.83587900   -4.95614300    5.85382700
 C                 -3.08556600   -3.07399700    5.43555800
 C                 -6.07337700   -6.60307200    0.75366400
 C                 -5.09118300   -6.56640900   -0.22721900
 C                 -3.28826300   -4.77635600   -0.84858500
 C                 -8.90658500   -3.44951700    2.40841800
 C                 -9.10989300   -2.13219900    2.02057900
 H                 -7.60407300   -5.84229500    2.95302600
 C                 -6.82899600   -6.57287500    5.40714000
 C                 -7.07696300   -7.67550900    1.04373400
 C                 -9.91722300   -4.47961200    2.80708800
 H                 -3.39981000   -2.04880900    5.67050100
 H                 -2.57720100   -3.46918100    6.32089500
 H                 -2.35421300   -3.02993900    4.62154200
 H                 -6.61899900   -6.95804400    6.40974100
 H                 -7.87058500   -6.23195900    5.38609400
 H                 -6.74696100   -7.40661600    4.70012800
 H                 -9.74773800   -4.84416900    3.82696000
 H                -10.92059200   -4.04481700    2.76532300
 H                 -8.10587700   -7.30973400    0.94731000
 H                 -9.89778600   -5.35127900    2.14289300
 H                 -6.96828800   -8.07438100    2.05920400
 H                 -6.94537700   -8.50274300    0.33947700
 C                 -7.46496600   -0.23334000    1.30415700
 H                 -8.18819000    0.13680900    0.56833400
 H                 -7.46189600    0.47822600    2.14059300
 H                 -6.47390400   -0.22289900    0.84853000
 H                 -3.64714100   -4.15456500   -1.67668200
 H                 -2.65292100   -4.14300100   -0.22611900
 H                 -2.67886800   -5.58293800   -1.27139200
 H                 -4.88559000   -7.32777700   -0.96746800
 H                -10.05889900   -1.62048300    1.93480000
 H                 -4.54355600   -5.27617300    6.84476200
 C                 -5.45282800    3.40862800    8.93194400
 C                 -5.43750300    4.15348600    7.75061200
 C                 -5.54903500    3.51072400    6.51555600
 C                 -5.67979800    2.11748700    6.43780700
 C                 -5.69385700    1.38117700    7.63188500
 C                 -5.58201600    2.01843300    8.86857400
 H                 -5.36969400    3.90703700    9.89426700
 H                 -5.34295100    5.23589400    7.78993000
 H                 -5.54083800    4.09690300    5.59882200
 H                 -5.80019900    0.29896500    7.58833000
 H                 -5.60087700    1.43088200    9.78313300
 C                 -5.75509800    1.41294600    5.10117800
 H                 -6.15425200    2.09505200    4.33961100
 H                 -6.45234200    0.56705200    5.16359600
 C                 -4.38441100    0.88403900    4.63537400
 H                 -3.68396100    1.72462700    4.53401600
 H                 -3.97299600    0.22904900    5.41544400
 C                 -4.49575800    0.11556400    3.31233400
 H                 -4.87961100    0.76823400    2.52655000
 H                 -5.21043000   -0.70762900    3.42650200
 C                 -3.13970300   -0.46834700    2.91656700
 H                 -2.75796800   -1.06081400    3.74479800
 H                 -2.39712900    0.30790800    2.69898900
 N                 -3.22590100   -1.43831200    1.76224600
 S                 -3.24998800   -0.58233100    0.13905100
 O                 -4.35930900    0.36445400    0.27164000
 O                 -3.26415600   -1.64931800   -0.85492900
 C                 -1.73015200    0.33525300    0.01008400
 C                 -0.61280800   -0.27040400   -0.57542400
 C                 -1.68538500    1.65046400    0.48163900
 C                  0.56691900    0.45834800   -0.67217700
 H                 -0.67724500   -1.28411200   -0.95361900
 C                 -0.49089400    2.36032700    0.37482300
 H                 -2.57094900    2.11297500    0.90377500
 C                  0.64969300    1.77810200   -0.19641700
 H                  1.43991600   -0.00163900   -1.12757200
 H                 -0.44752800    3.38429600    0.73545000
 C                  1.93844400    2.54960200   -0.32601500
 H                  2.15180500    2.77615200   -1.37863000
 H                  1.90114400    3.49771200    0.21909900
 H                  2.78688300    1.96948900    0.05554400
 Cl                -1.66390500   -2.40853900    1.78992300

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        


