%chk=000065034.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065034

0 1
 O  -0.2980000      -1.581400     -7.6899998E-02
 O   6.9899999E-02   2.189000      0.3976000    
 O   0.2070000      0.8467000      -1.477500    
 O  -0.9888000      -1.306000       2.101700    
 N    3.246500      0.3001000     -0.8276000    
 C    2.753400      0.5954000      0.5342000    
 C    3.400100      -1.165400     -0.8102000    
 C    1.261900      0.1790000      0.5883000    
 C    3.616600     -0.2909000       1.441700    
 C    4.038000      -1.463600      0.5513000    
 C    1.978900      -1.752300     -0.9254000    
 C    1.064100      -1.305800      0.2263000    
 C    4.488800      0.9987000      -1.146900    
 C   0.4582000       1.086500     -0.3043000    
 C   -1.199500      -1.283700      0.8990000    
 C  -0.7064000       3.142400     -0.3350000    
 C   -2.512100     -0.9186000      0.3088000    
 C   -1.055800       4.299000      0.5771000    
 C   -3.322500     -2.9100001E-02  0.9842000    
 C   -2.880400      -1.479400     -0.8968000    
 C   -4.555500      0.3143000      0.4297000    
 C   -4.113500      -1.135900      -1.451400    
 C   -4.950900     -0.2390000     -0.7879000    
 H    2.849500       1.657300      0.7902000    
 H    4.008200      -1.539900      -1.641300    
 H   0.8957000      0.3295000       1.612700    
 H    3.083900     -0.6293000       2.336400    
 H    4.508400      0.2520000       1.776800    
 H    5.131200      -1.484300      0.4698000    
 H    3.721800      -2.426100      0.9662000    
 H    1.533900      -1.470300      -1.888900    
 H    2.025100      -2.848700     -0.9388000    
 H    1.331800      -1.917900       1.098500    
 H    4.813700      0.7404000      -2.160800    
 H    5.312900      0.7769000     -0.4612000    
 H    4.322600       2.081500      -1.137400    
 H  -0.1253000       3.506800      -1.189500    
 H   -1.624200       2.665000     -0.6962000    
 H   -1.650300       5.048700      4.7800001E-02
 H   -1.622600       3.946700       1.445300    
 H  -0.1476000       4.774400      0.9618000    
 H   -3.023000      0.4123000       1.930100    
 H   -2.252600      -2.189300      -1.426800    
 H   -5.206900       1.013800      0.9454000    
 H   -4.422900      -1.568600      -2.398300    
 H   -5.911100      2.8300000E-02  -1.219600    


%chk=000065034-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065034

0 1
O -0.590638 -1.113920 -0.222942
O 0.725906 2.850052 0.114883
O 0.133194 1.377877 -1.587400
O -1.125311 -1.353115 2.039120
N 3.267979 0.481867 -0.658244
C 2.680935 0.715072 0.696495
C 3.186824 -1.011540 -0.768351
C 1.130317 0.540181 0.553940
C 3.316357 -0.388073 1.620982
C 3.685490 -1.543443 0.628150
C 1.703384 -1.386075 -1.038548
C 0.840954 -0.924153 0.144981
C 4.630789 1.033940 -0.829403
C 0.606663 1.569611 -0.447740
C -1.486319 -1.298987 0.833603
C 0.284661 3.985875 -0.749028
C -2.891711 -1.422026 0.350490
C 0.537434 5.266073 0.041263
C -3.900465 -1.738951 1.297185
C -3.233903 -1.216482 -1.012076
C -5.242719 -1.858016 0.883400
C -4.579544 -1.334181 -1.419577
C -5.584218 -1.656767 -0.475953
H 2.890750 1.740543 1.039432
H 3.813413 -1.363087 -1.605789
H 0.660759 0.751148 1.532737
H 2.623948 -0.716115 2.416417
H 4.217330 0.012613 2.117807
H 4.776113 -1.715948 0.610204
H 3.205637 -2.501471 0.896194
H 1.365691 -0.879249 -1.957411
H 1.598964 -2.478644 -1.171302
H 1.020574 -1.555716 1.034610
H 4.980730 0.815749 -1.853847
H 5.391196 0.637542 -0.114037
H 4.591831 2.131319 -0.712219
H 0.856990 3.948183 -1.693716
H -0.784227 3.842327 -0.991067
H 0.218982 6.142605 -0.552295
H -0.029882 5.262799 0.987720
H 1.609342 5.378800 0.278707
H -3.610851 -1.885066 2.343185
H -2.445908 -0.958717 -1.725197
H -6.020794 -2.104870 1.613831
H -4.846374 -1.172653 -2.469651
H -6.628074 -1.747708 -0.797343


