%chk=000052242.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052242

0 1
 O    1.504400      0.2637000     -7.1099997E-02
 O    2.527700       2.324200     -0.1483000    
 N   -2.197700      0.2082000     -0.2695000    
 N    7.389400      -1.815400      0.3662000    
 C   -4.558800     -0.4038000     -0.2989000    
 C   -4.830900      0.6748000      0.7583000    
 C   -5.560900      -1.559100     -0.1712000    
 C   -3.124900     -0.9185000     -0.1876000    
 C   -6.275100       1.167600      0.7021000    
 C   -7.003800      -1.062500     -0.2260000    
 C   -7.268000      1.5600000E-02  0.8204000    
 C   -2.823100      -1.935100      -1.284100    
 C  -0.8207000     -0.2473000     -0.1561000    
 C   0.2189000      0.8888000     -0.1776000    
 C   6.2799998E-02   1.839800       1.012500    
 C   0.1850000       1.667700      -1.495900    
 C    2.567600       1.106200     -6.9100000E-02
 C    3.833500      0.3384000      4.4000000E-02
 C    4.977000      0.8485000     -0.5361000    
 C    3.827600     -0.8608000      0.7267000    
 C    6.166400      0.1277000     -0.4288000    
 C    5.017100      -1.581400      0.8340000    
 C    6.186500      -1.087200      0.2562000    
 H   -4.699700      5.4200001E-02  -1.289300    
 H   -4.175700       1.542200      0.6193000    
 H   -4.626100      0.2770000       1.760700    
 H   -5.397900      -2.099700      0.7696000    
 H   -5.451500      -2.281600     -0.9847000    
 H   -3.004500      -1.409600      0.7874000    
 H   -6.450200       1.888400       1.508800    
 H   -6.443000       1.698900     -0.2429000    
 H   -7.214400     -0.6606000      -1.224900    
 H   -7.689400      -1.903000     -6.9200002E-02
 H   -7.198400     -0.4243000       1.822900    
 H   -8.289600      0.3959000      0.7086000    
 H   -2.332600      0.6922000      -1.155900    
 H   -3.521500      -2.775500      -1.278800    
 H   -2.858200      -1.480400      -2.280700    
 H   -1.848400      -2.416500      -1.158900    
 H  -0.6850000     -0.8252000      0.7682000    
 H  -0.5411000     -0.9132000     -0.9797000    
 H  -0.9836000       2.139000       1.140700    
 H   0.6165000       2.777600      0.9229000    
 H   0.3879000       1.359000       1.942700    
 H   0.4979000       1.027700      -2.329500    
 H  -0.8211000       2.038700      -1.717000    
 H   0.8206000       2.554900      -1.528100    
 H    4.973000       1.791500      -1.074600    
 H    2.934600      -1.260600       1.197700    
 H    7.071100      0.5231000     -0.8838000    
 H    5.020800      -2.525200       1.373300    
 H    8.237200      -1.458900     -5.4499999E-02
 H    7.403800      -2.697500      0.8607000    


%chk=000052242-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052242

0 1
O 1.505158 0.324318 -0.232397
O 2.535148 2.420565 0.037488
N -2.153847 -0.119042 -0.766418
N 7.562838 -1.677006 0.439269
C -4.563785 -0.485892 -0.314891
C -4.632174 0.730826 0.645846
C -5.694770 -1.491792 0.028115
C -3.143936 -1.129324 -0.297858
C -6.019339 1.412084 0.633505
C -7.088694 -0.816194 0.025721
C -7.140513 0.402845 0.975178
C -3.061223 -2.456413 -1.100851
C -0.727174 -0.408397 -0.526547
C 0.103585 0.897185 -0.353790
C -0.283228 1.636313 0.937795
C 0.014531 1.790480 -1.605381
C 2.608214 1.163515 -0.033403
C 3.869525 0.388972 0.081989
C 5.083719 1.100868 0.282396
C 3.915950 -1.029542 0.002607
C 6.306471 0.425775 0.401063
C 5.134101 -1.716452 0.119835
C 6.353053 -0.999804 0.321736
H -4.749890 -0.116211 -1.351328
H -3.835394 1.447952 0.378923
H -4.411743 0.377029 1.676517
H -5.499481 -1.925062 1.032933
H -5.699296 -2.334093 -0.689169
H -2.888338 -1.347164 0.761073
H -6.032522 2.258680 1.347652
H -6.209235 1.841129 -0.372971
H -7.325272 -0.480985 -1.006046
H -7.864746 -1.555417 0.305951
H -7.010273 0.056123 2.021646
H -8.133321 0.890670 0.918862
H -2.336393 0.143010 -1.745034
H -3.663212 -3.260440 -0.640498
H -3.421808 -2.310434 -2.138254
H -2.014929 -2.810405 -1.148905
H -0.641248 -0.993012 0.408496
H -0.242813 -1.008093 -1.331076
H -1.376317 1.793383 0.929168
H 0.233318 2.605150 1.015963
H -0.026764 1.023451 1.821057
H 0.314568 1.229348 -2.509627
H -1.027114 2.138022 -1.728861
H 0.665804 2.671686 -1.500782
H 5.038684 2.193546 0.342232
H 2.984022 -1.580650 -0.151074
H 7.234001 0.990368 0.555919
H 5.155209 -2.811451 0.057346
H 8.431651 -1.170554 0.584005
H 7.600741 -2.690866 0.385978


