%nprocshared=8
%mem=24000MB
%chk=M1c.chk
#p SCRF(SMD,Solvent=water) B3LYP/genecp EmpiricalDispersion=GD3 opt freq=noraman nosymm scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

0 2
 N                 -1.47506000   -0.66765000   -2.23531000
 N                 -1.09191000   -1.90762000   -0.02735000
 N                 -0.56407000    0.15034000    1.31839000
 N                 -1.35940000    1.83710000   -0.43857000
 C                 -0.70508000   -2.19279000    1.25025000
 C                 -0.41322000   -1.00549000    2.02915000
 C                 -0.57638000   -3.47218000    1.83339000
 C                 -0.03941000   -1.12488000    3.38747000
 C                 -0.19994000   -3.55657000    3.16096000
 H                 -0.77906000   -4.35784000    1.24712000
 C                  0.06075000   -2.39021000    3.93398000
 H                  0.17047000   -0.24072000    3.97287000
 H                 -0.10066000   -4.53242000    3.62657000
 H                  0.35472000   -2.49978000    4.97345000
 C                 -0.39038000    1.45198000    1.71977000
 C                 -0.84285000    2.43418000    0.63429000
 C                 -1.53688000   -2.74158000   -1.01505000
 C                 -1.31555000    0.11776000   -3.45266000
 H                 -0.80123000   -0.47612000   -4.21603000
 H                 -2.28567000    0.43665000   -3.85120000
 H                 -0.71204000    0.99844000   -3.23608000
 C                 -1.92051000    2.65888000   -1.50075000
 H                 -1.13793000    3.07637000   -2.14648000
 H                 -2.59784000    2.05674000   -2.10502000
 H                 -2.48718000    3.48997000   -1.06645000
 C                 -1.70662000   -1.98025000   -2.33283000
 O                 -1.76627000   -3.94582000   -0.91103000
 O                 -1.99477000   -2.60255000   -3.37763000
 O                  0.04085000    1.82217000    2.80919000
 O                 -0.75247000    3.66595000    0.84320000
 Cu                -0.96668000   -0.07480000   -0.50090000

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        


