%chk=000035424.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035424

0 1
 O    3.732600      0.4724000      -2.084500    
 O    1.478500       1.486300      0.7442000    
 N    2.196300     -0.6178000      7.0799999E-02
 C    3.623600     -0.3803000      0.2098000    
 C    4.041900      0.7666000     -0.7269000    
 C    4.378600      -1.656700     -0.1852000    
 C    3.934800     -3.7500001E-02   1.673000    
 C    1.249400      0.3462000      0.3536000    
 C  -0.1346000     -0.1614000      0.1236000    
 C   -1.184600      0.6471000      0.3330000    
 C   -2.545600      0.2484000      0.1224000    
 C   -2.898100      -1.111500      8.5199997E-02
 C   -3.556500       1.209000     -5.1600002E-02
 C   -4.222300      -1.499200     -0.1200000    
 C   -4.880600      0.8212000     -0.2567000    
 C   -5.213600     -0.5329000     -0.2907000    
 H    3.571300       1.721100     -0.4747000    
 H    5.124500      0.9281000     -0.6680000    
 H    5.463200      -1.514400     -0.1217000    
 H    4.111800      -2.490500      0.4750000    
 H    4.138400      -1.970900      -1.207400    
 H    3.505700      0.9192000       1.985400    
 H    5.017100      3.4899998E-02   1.831900    
 H    3.550000     -0.8083000       2.351000    
 H    1.897400      -1.535100     -0.2483000    
 H    2.775800      0.3060000      -2.134400    
 H  -0.2297000      -1.177900     -0.2401000    
 H   -1.029200       1.669200      0.6688000    
 H   -2.171600      -1.904900      0.2372000    
 H   -3.319500       2.270700     -2.9800000E-02
 H   -4.483300      -2.553400     -0.1409000    
 H   -5.652600       1.573400     -0.3897000    
 H   -6.244800     -0.8347000     -0.4490000    


%chk=000035424-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000035424

0 1
O 3.872431 0.318048 -2.156500
O 1.462579 1.527664 0.451432
N 2.270889 -0.640339 0.093508
C 3.729280 -0.359183 0.263145
C 4.179422 0.712877 -0.777571
C 4.471806 -1.687675 -0.002622
C 4.017834 0.165055 1.691964
C 1.244964 0.290066 0.224280
C -0.126261 -0.278885 0.061755
C -1.222963 0.529544 0.164680
C -2.637821 0.152476 0.035093
C -3.072773 -1.177226 -0.241225
C -3.627692 1.165260 0.191321
C -4.443592 -1.477442 -0.355820
C -5.001225 0.865350 0.077299
C -5.415523 -0.458319 -0.197199
H 3.716980 1.685149 -0.526030
H 5.278590 0.801185 -0.743847
H 5.550859 -1.559994 0.190271
H 4.104825 -2.491474 0.663906
H 4.349840 -1.994248 -1.057126
H 3.422416 1.069544 1.899854
H 5.090228 0.413722 1.796116
H 3.767265 -0.604480 2.444090
H 2.011684 -1.614002 -0.080678
H 2.890829 0.371831 -2.277847
H -0.220038 -1.355207 -0.138117
H -1.008818 1.589451 0.369967
H -2.335808 -1.978299 -0.367837
H -3.308125 2.192710 0.404030
H -4.760730 -2.504360 -0.569214
H -5.745787 1.659241 0.201394
H -6.481266 -0.695640 -0.287176


