%nproc=8
%Mem=12000MB
%Chk=1b
#p SCRF(SMD,Solvent=water) B3LYP/genecp EmpiricalDispersion=GD3 opt freq=noraman nosymm scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

-1 1
Cu   -0.88309   -0.05337   -0.50156
N    -1.19316   -0.62435   -2.29781
N    -0.78913   -1.88318   -0.10822
N    -0.43875    0.16978    1.30893
N    -1.12958    1.84275   -0.50340
C    -0.42394   -2.18229    1.21833
C    -0.22561   -1.03048    2.01351
C    -0.23841   -3.45804    1.76254
C     0.14148   -1.15574    3.35829
C     0.13445   -3.57503    3.10772
H    -0.38565   -4.33700    1.14938
C     0.32185   -2.43647    3.89674
H     0.29313   -0.27363    3.96565
H     0.27692   -4.56421    3.53425
H     0.61627   -2.53645    4.93789
C    -0.30894    1.43798    1.72297
C    -0.72675    2.42837    0.62885
C    -1.16167   -2.70883   -1.09714
C    -1.19473    0.18570   -3.51072
H    -0.72920   -0.37545   -4.32799
H    -2.21152    0.45998   -3.81608
H    -0.61407    1.09189   -3.34518
C    -1.71741    2.67121   -1.55031
H    -0.95357    3.09403   -2.21362
H    -2.41238    2.07550   -2.14035
H    -2.27435    3.49719   -1.09610
C    -1.38436   -1.94223   -2.40648
O    -1.30286   -3.94378   -1.03358
O    -1.67255   -2.56452   -3.45380
O     0.07311    1.82941    2.84108
O    -0.70865    3.65805    0.86185

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 O C H 0
6-31+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        


