%chk=000054784.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054784

0 1
 O   -3.137900       2.128900     -0.8633000    
 O    4.190800      -2.088400     -0.7043000    
 O   -7.031900      -2.734900     -0.1440000    
 N   0.1289000      0.7207000      0.2588000    
 N    2.952100      0.2979000      0.1572000    
 C   -1.242900      0.7015000     -0.2477000    
 C   0.9778000       1.570300     -0.5851000    
 C   0.6780000     -0.6400000      0.3098000    
 C   -2.122300     -0.1843000      0.6344000    
 C    2.403800       1.644200     -3.3700000E-02
 C    2.093300     -0.6394000      0.8921000    
 C   -1.833100       2.108900     -0.2710000    
 C   -3.572600      2.2900000E-02  0.2963000    
 C   -3.993300       1.156700     -0.4117000    
 C    4.337700      0.1170000      0.2318000    
 C   -4.527500     -0.9124000      0.7169000    
 C   -5.343400       1.329200     -0.7275000    
 C   -5.876900     -0.7315000      0.4112000    
 C    4.952400      -1.076700     -0.1998000    
 C    5.164600       1.136100      0.7464000    
 C   -6.283700      0.3866000     -0.3139000    
 C   -6.883700      -1.736900      0.8584000    
 C    6.335000      -1.243300     -0.1201000    
 C    6.547200      0.9693000      0.8262000    
 C    7.132400     -0.2203000      0.3931000    
 C    3.955300      -2.082100      -2.110600    
 H   -1.272000      0.3003000      -1.272300    
 H   0.6407000       2.609000     -0.6097000    
 H   0.9995000       1.199200      -1.618600    
 H   0.6899000      -1.096600     -0.6889000    
 H   9.7499996E-02  -1.292500      0.9685000    
 H   -1.981100      4.7400001E-02   1.698100    
 H   -1.896500      -1.244500      0.4727000    
 H    3.015200       2.212900     -0.7456000    
 H    2.402600       2.185000      0.9215000    
 H    2.060600     -0.3341000       1.946700    
 H    2.470200      -1.666300      0.8792000    
 H   -1.893200       2.548400      0.7334000    
 H   -1.264700       2.800400     -0.8946000    
 H   -4.211000      -1.787800       1.279800    
 H   -5.670200       2.199400      -1.290700    
 H    4.746000       2.072400       1.106900    
 H   -7.331000      0.5356000     -0.5631000    
 H   -6.572700      -2.216900       1.792800    
 H   -7.857200      -1.266700       1.036400    
 H    6.797800      -2.167700     -0.4548000    
 H    7.168200       1.764400       1.228700    
 H    8.208800     -0.3505000      0.4561000    
 H    3.435700      -1.167200      -2.412600    
 H    3.322100      -2.939300      -2.355200    
 H    4.898700      -2.176300      -2.657500    
 H   -7.692900      -3.369500      0.1814000    


%chk=000054784-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054784

0 1
O -3.218770 2.429065 -0.254722
O 4.304684 -2.314333 -0.395971
O -6.312850 -3.130596 0.550316
N 0.153201 0.760235 0.198633
N 3.017083 0.279071 -0.059850
C -1.286345 0.845185 -0.185105
C 1.014750 1.583439 -0.691870
C 0.711619 -0.617277 0.257388
C -2.159882 -0.248915 0.468446
C 2.461783 1.642454 -0.174176
C 2.153645 -0.591416 0.786408
C -1.857360 2.209249 0.273913
C -3.645219 0.040227 0.265806
C -4.097167 1.337677 -0.087970
C 4.427702 0.135799 0.073731
C -4.609224 -0.988072 0.400406
C -5.468360 1.594845 -0.317285
C -5.983119 -0.750828 0.187869
C 5.056489 -1.144771 -0.088859
C 5.279660 1.246071 0.341348
C -6.404165 0.553300 -0.181414
C -7.013334 -1.855216 0.353844
C 6.445344 -1.300428 0.078880
C 6.676281 1.090229 0.476572
C 7.268023 -0.187122 0.365824
C 3.751129 -2.326923 -1.768267
H -1.413495 0.777102 -1.296091
H 0.623065 2.613974 -0.743498
H 1.021700 1.169837 -1.732558
H 0.698874 -1.107290 -0.749725
H 0.109289 -1.232763 0.945078
H -1.923226 -0.289331 1.551950
H -1.931621 -1.244807 0.048802
H 3.071529 2.223066 -0.889604
H 2.471228 2.173480 0.807010
H 2.142596 -0.207229 1.831862
H 2.570866 -1.610747 0.788790
H -1.878521 2.241893 1.381341
H -1.281326 3.066450 -0.105079
H -4.293353 -2.003116 0.662278
H -5.774407 2.607337 -0.597758
H 4.843775 2.240553 0.476382
H -7.466791 0.758677 -0.363390
H -7.663492 -1.630268 1.229047
H -7.662477 -1.897375 -0.548286
H 6.863256 -2.305668 -0.040550
H 7.296786 1.968296 0.688425
H 8.348458 -0.316367 0.487381
H 3.088770 -1.456557 -1.932380
H 3.182743 -3.266479 -1.850425
H 4.573500 -2.318627 -2.509019
H -6.972224 -3.846487 0.724624


