%nprocshared=8
%mem=12000MB
%chk=1c-OHadduct
#p SCRF(SMD,Solvent=water) B3LYP/genecp EmpiricalDispersion=GD3 opt freq=noraman nosymm scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

-2 2
 N                 -1.45501000   -0.69279000   -2.26030000
 N                 -1.11888000   -1.92232000   -0.03611000
 N                 -0.52285000    0.13780000    1.27915000
 N                 -1.31363000    1.82252000   -0.48292000
 C                 -0.71612000   -2.20372000    1.23733000
 C                 -0.38668000   -1.01579000    1.99939000
 C                 -0.60123000   -3.48019000    1.82959000
 C                  0.00679000   -1.13060000    3.35190000
 C                 -0.20445000   -3.56074000    3.15172000
 H                 -0.83228000   -4.36647000    1.25451000
 C                  0.09263000   -2.39335000    3.90840000
 H                  0.24544000   -0.24583000    3.92539000
 C                 -0.31861000    1.43986000    1.66430000
 C                 -0.77605000    2.42071000    0.57805000
 C                 -1.58080000   -2.75262000   -1.01756000
 C                 -1.25834000    0.07651000   -3.48233000
 H                 -0.74395000   -0.53551000   -4.23108000
 H                 -2.21443000    0.41318000   -3.89980000
 H                 -0.63973000    0.94632000   -3.26353000
 C                 -1.87126000    2.64206000   -1.54855000
 H                 -1.08641000    3.05449000   -2.19489000
 H                 -2.54846000    2.03881000   -2.15213000
 H                 -2.43668000    3.47684000   -1.11936000
 C                 -1.72328000   -1.99932000   -2.34489000
 O                 -1.84575000   -3.94915000   -0.90368000
 O                 -2.02278000   -2.62441000   -3.38492000
 O                  0.13768000    1.81257000    2.74284000
 O                 -0.66825000    3.65306000    0.77813000
 Cu                -0.94426000   -0.09612000   -0.53100000
 O                  1.20428000   -0.04361000   -1.04264000
 H                  1.66280000    0.30165000   -0.25793000
 O                  3.48784000   -0.52726000   -3.05147000
 H                  2.73830000   -0.37318000   -2.44423000
 C                  0.53411320   -2.54313489    5.37613876
 H                  1.52599185   -2.15865417    5.49125313
 H                 -0.13549648   -1.99730479    6.00748048
 H                  0.51858892   -3.57751704    5.64947476
 C                 -0.08122565   -4.94142575    3.82263178
 H                  0.92239966   -5.08305219    4.16552856
 H                 -0.75303266   -4.99536947    4.65369460
 H                 -0.32742706   -5.70516284    3.11482494

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




