%chk=000033297.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033297

0 1
 O    3.661800      0.7522000     -0.6817000    
 O    3.359000      -1.448800      -1.284300    
 O   -5.950100      -1.795800     -0.1730000    
 O   -3.444900      -1.427200      0.5296000    
 N    7.123600      1.4800000E-02  0.3471000    
 N   -2.597500      0.6600000     -0.1444000    
 C    5.676100      0.1806000      0.4747000    
 C    7.793800       1.313400      0.4038000    
 C    7.631100     -0.8687000       1.396100    
 C    5.067600      0.6206000     -0.8472000    
 C    9.293600       1.165900      0.2115000    
 C    6.945300      -2.223700       1.352200    
 C    1.477200     -9.4899997E-02 -0.7271000    
 C    2.922700     -0.3633000     -0.9338000    
 C   -1.239200      0.4081000     -0.3394000    
 C   0.6293000      -1.123000     -0.3149000    
 C   0.9668000       1.184700     -0.9453000    
 C  -0.7288000     -0.8716000     -0.1210000    
 C  -0.3914000       1.436200     -0.7515000    
 C   -4.963500      0.3263000      0.3551000    
 C   -3.591600     -0.2388000      0.2649000    
 C   -6.083700     -0.4745000      0.1331000    
 C   -5.122000       1.676700      0.6667000    
 C   -7.362700      7.5199999E-02  0.2225000    
 C   -6.401000       2.226300      0.7560000    
 C   -7.521300       1.425600      0.5338000    
 C   -7.150300      -2.536400     -0.3834000    
 H    5.413000      0.8857000       1.275200    
 H    5.154200     -0.7420000      0.7382000    
 H    7.597300       1.833800       1.350000    
 H    7.432800       1.962300     -0.4012000    
 H    7.516700     -0.4300000       2.395300    
 H    8.696200      -1.071300       1.243100    
 H    5.432600       1.606700      -1.149600    
 H    5.314200     -7.1000002E-02  -1.662700    
 H    9.792300      0.7603000       1.097100    
 H    9.532400      0.5362000     -0.6524000    
 H    9.737200       2.151300      2.8600000E-02
 H    6.833400      -2.597400      0.3284000    
 H    5.969200      -2.222700       1.846600    
 H    7.555500      -2.955300       1.894900    
 H    1.013400      -2.124400     -0.1381000    
 H    1.601800       2.001400      -1.278000    
 H   -1.319200      -1.718400      0.1990000    
 H  -0.7759000       2.437800     -0.9276000    
 H   -2.876500       1.610000     -0.3733000    
 H   -4.281100       2.328300      0.8848000    
 H   -8.278600     -0.4834000      6.3900001E-02
 H   -6.525400       3.275700       1.007200    
 H   -8.516700       1.854400      0.6058000    
 H   -7.763100      -2.579500      0.5235000    
 H   -7.709100      -2.163800      -1.248700    
 H   -6.856400      -3.565500     -0.6157000    


%chk=000033297-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033297

0 1
O 3.623585 0.328615 -0.772295
O 3.432848 -1.720697 0.333673
O -6.043038 -1.532751 -0.715074
O -3.666122 -1.500691 1.095822
N 7.247678 0.339318 0.374434
N -2.747991 0.379614 0.016903
C 5.781942 0.545359 0.479321
C 8.048148 1.585859 0.495974
C 7.748910 -0.786300 1.205533
C 5.102695 0.121439 -0.838991
C 9.439356 1.485604 -0.160181
C 7.198170 -2.157048 0.767148
C 1.436109 -0.393549 -0.112060
C 2.892596 -0.686673 -0.141365
C -1.363585 0.075435 -0.001435
C 0.567582 -1.328598 0.508407
C 0.887370 0.785934 -0.681742
C -0.819560 -1.109603 0.570183
C -0.495670 1.016657 -0.627015
C -5.138010 0.345194 0.456192
C -3.810078 -0.369879 0.553143
C -6.276640 -0.292780 -0.122371
C -5.290004 1.633204 1.023226
C -7.537007 0.355315 -0.106658
C -6.544066 2.285376 1.037630
C -7.663851 1.637162 0.474077
C -7.187729 -2.260858 -1.270628
H 5.545830 1.608505 0.681785
H 5.350641 -0.046169 1.311569
H 8.163181 1.900932 1.565361
H 7.483622 2.390844 -0.010997
H 7.510549 -0.621262 2.288352
H 8.850391 -0.804019 1.121111
H 5.431240 0.754120 -1.677967
H 5.311385 -0.939212 -1.053689
H 10.087261 0.746965 0.344637
H 9.338719 1.186229 -1.218229
H 9.953394 2.463823 -0.114481
H 7.483683 -2.367650 -0.279181
H 6.096925 -2.207847 0.842940
H 7.615705 -2.954374 1.409982
H 1.002925 -2.235180 0.941527
H 1.553612 1.507332 -1.161942
H -1.487836 -1.831269 1.041783
H -0.912553 1.930242 -1.070163
H -3.021066 1.246675 -0.453615
H -4.423018 2.112441 1.493628
H -8.415072 -0.125840 -0.546736
H -6.644837 3.275288 1.493216
H -8.643966 2.126768 0.483333
H -7.945401 -2.469119 -0.491249
H -7.652642 -1.703744 -2.107386
H -6.766209 -3.206034 -1.641043


