%nproc=4
%Mem=4000MB
%Chk=BD_2p
#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                 -3.49914900    1.24475800   -0.10470900
 H                 -4.58011700    1.15582600   -0.15346600
 C                 -2.86922900    2.46778500   -0.09016400
 H                 -3.44788400    3.38761800   -0.13055100
 C                 -1.46641500    2.52580500   -0.03293500
 H                 -0.96764900    3.48548500   -0.04633000
 C                 -0.74869500    1.33426500    0.01629600
 N                 -1.35803500    0.11309000    0.00438300
 C                 -2.73480500    0.03261000   -0.06207800
 N                  1.34537900    0.12047000   -0.13083300
 C                  2.72084700    0.04675200   -0.22292700
 C                  3.49190300    1.24423100   -0.05885100
 H                  4.57277100    1.15818300   -0.11483000
 C                  2.86782800    2.45083800    0.15904300
 H                  3.45174400    3.35897200    0.28878300
 C                  1.46432400    2.50935800    0.20295300
 H                  0.97127100    3.45881000    0.36286400
 C                  0.74015300    1.33186100    0.04088900
 Cu                 0.00759200   -1.49745500    0.05644000
 O                 -1.32343900   -2.89762200    0.35958100
 O                  1.22613178   -2.75138620    0.12936010
 H                 -2.16046800   -2.40206200    0.23723500
 H                  3.15070200   -0.77336100   -0.39395200
 H                 -3.17042200   -0.80194100   -0.08140200

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        


