%nprocshared=12
%mem=24000MB
%chk=I1c-anillo-1.chk
#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                 -1.46899500   -0.79453600   -2.37261500
 N                 -0.91024900   -1.97747100   -0.10392800
 N                 -0.40291700    0.08117500    1.35822500
 N                 -1.22439900    1.92826500   -0.33835700
 C                 -0.60951000   -2.25332600    1.22153100
 C                 -0.31014000   -1.06694900    2.00961900
 C                 -0.54627500   -3.48935000    1.83680000
 C                  0.01011700   -1.19227700    3.49125300
 C                 -0.19519600   -3.65172700    3.22607100
 H                 -0.75636000   -4.37428600    1.24972700
 C                  0.10249600   -2.59217200    4.00655300
 C                 -0.38695800    1.36834800    1.85678900
 C                 -0.82648800    2.42176800    0.82345100
 C                 -1.44783800   -2.80130700   -1.00843900
 C                 -1.61985300   -0.08366100   -3.63447500
 H                 -1.17168700   -0.63972200   -4.46899200
 H                 -2.67731100    0.09115100   -3.88096500
 H                 -1.12138400    0.88506200   -3.55650400
 C                 -1.66798600    2.89253300   -1.33640400
 H                 -0.81924400    3.44470800   -1.76524500
 H                 -2.17637100    2.36304800   -2.14402700
 H                 -2.36017100    3.62908500   -0.90745400
 C                 -1.72300600   -2.09472600   -2.35914100
 O                 -1.73830400   -4.01612000   -0.86633900
 O                 -2.14856700   -2.79589000   -3.33044200
 O                 -0.08811000    1.70796300    3.00801000
 O                 -0.79215200    3.63796200    1.18321100
 Cu                -0.76052300   -0.05795300   -0.64132400
 H                  1.62175000    1.00921700   -0.67190100
 O                  1.38938800    0.26955400   -1.25767600
 H                 -0.87060200   -0.73994600    3.99363600
 O                  1.19156000   -0.48819200    3.86868000
 H                  0.97659700    0.46531500    3.76456700
 O                 -0.14629019   -4.98061955    3.75195389
 C                 -0.50290477   -5.91270445    2.72777433
 H                 -0.27508167   -6.90586603    3.05431179
 H                 -1.55057344   -5.83562647    2.52442895
 H                  0.05010345   -5.69405470    1.83823839
 O                  0.51578940   -2.81362894    5.35749541
 C                  0.77644321   -1.55736408    5.98896845
 H                  0.16514470   -1.46343544    6.86211881
 H                  1.80798975   -1.50593630    6.26855193
 H                  0.55122975   -0.76271850    5.30873519

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






