%nproc=8
%Mem=8000MB
%Chk=BDh_3
#p SCRF(SMD,Solvent=DiPhenylEther) B97D/genecp  nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

0 3
 O                 -1.41845700    0.85672200    1.22463900
 C                 -0.54494000    0.22249900    0.53317900
 O                 -0.71191200   -0.25499200   -0.63382300
 O                 -4.92795300    1.68837300   -0.27385300
 C                 -5.06830900    1.66467900   -1.55180800
 O                 -4.20004200    1.29664800   -2.39970300
 O                 -3.81316000   -1.04777800    0.50251900
 C                 -3.71300500   -1.72482900   -0.56563800
 O                 -3.22033300   -1.33089400   -1.67828000
 C                 -4.21028400   -3.17171600   -0.53731200
 H                 -4.79798800   -3.36626300    0.36930300
 H                 -4.81325800   -3.37907300   -1.43394600
 H                 -3.33729300   -3.84471700   -0.55632800
 C                  0.83393300    0.06928600    1.16631800
 H                  1.40334200   -0.73613600    0.68345900
 H                  1.38087000    1.01806000    1.02957300
 H                  0.74264900   -0.11752500    2.24620000
 C                 -6.42801000    2.12026900   -2.07628100
 H                 -6.75206600    3.03113700   -1.55106300
 H                 -6.39546700    2.29624700   -3.15957300
 H                 -7.16645600    1.32971600   -1.86146000
 Cu                -2.32453900    0.43867500   -1.84524900
 C                 -1.22492300    3.27586100   -1.72742000
 C                  0.07574000    1.87361300   -2.85667700
 C                 -2.28311500    3.86154500   -1.00233300
 C                  0.00836700    3.98449400   -1.94571300
 C                  0.59625200    0.73277500   -3.49710700
 C                  0.86125700    3.06244600   -2.68718200
 C                 -2.09844900    5.15934700   -0.49676200
 H                 -3.21736800    3.32694500   -0.84571100
 C                  0.16797400    5.27643300   -1.44609600
 C                  1.91247300    0.79471900   -3.98132600
 H                 -0.00836400   -0.16966300   -3.60184800
 C                  2.16555000    3.11008700   -3.18191200
 C                 -0.89656500    5.86076500   -0.71922300
 H                 -2.90332200    5.63364600    0.06719500
 H                  1.09602800    5.82980100   -1.60324000
 C                  2.68535500    1.96546500   -3.82972900
 H                  2.34510300   -0.07510600   -4.47823500
 H                  2.78039400    4.00498500   -3.06680200
 H                 -0.78267700    6.87208600   -0.32488000
 H                  3.70587300    1.98773700   -4.21611100
 N                 -1.18005800    2.01677100   -2.29369000
 Cu                -3.28359800    0.99395300    0.58241100

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        
****
O C H N 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        

