%nproc=8
%Mem=8000MB
%Chk=BD_2
#p SCRF(SMD,Solvent=water) B3LYP/genecp EmpiricalDispersion=GD3 opt freq=noraman nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

-1 2
 C                 -3.46521600    1.30897900   -0.08211200
 H                 -4.54835400    1.24793200   -0.10374000
 C                 -2.80435600    2.51171500   -0.11013800
 H                 -3.35811700    3.44395500   -0.16182100
 C                 -1.40699200    2.52433500   -0.07634200
 H                 -0.89388200    3.47133700   -0.09923000
 C                 -0.69991300    1.29471800   -0.00703500
 N                 -1.32793700    0.11582400    0.01487400
 C                 -2.72108100    0.07975700   -0.03792700
 N                  1.37739600    0.04810300   -0.05321400
 C                  2.79578800    0.10178900   -0.09014400
 C                  3.48941800    1.36925000    0.02069200
 H                  4.57340700    1.32299500    0.02113200
 C                  2.82290100    2.55026600    0.11749500
 H                  3.34759400    3.49679500    0.19934000
 C                  1.43322800    2.50494800    0.10417800
 H                  0.88388900    3.42809400    0.18180900
 C                  0.76223900    1.26816300    0.01630000
 Cu                 0.02306200   -1.54120700    0.04013600
 O                  1.10154600   -3.12940000   -0.16453000
 O                 -3.40384400   -0.99160600    0.03689100
 O                  3.61682100   -0.85446700   -0.11359100
 H                  2.01897400   -2.81287800   -0.24028800
 O                 -1.47620200   -2.87856500    0.68445900
 H                 -2.32325000   -2.32924200    0.45635600
 H                 -1.51580900   -3.64288100    0.06366400

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        


