%chk=000039662.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039662

0 1
 O    4.100300       1.844500     -0.3394000    
 O    3.615300      -1.495400      0.3727000    
 O    5.785000      0.2824000     -5.9500001E-02
 N   -1.279600     -0.2284000      8.2000000E-03
 N  -0.1868000      0.5810000     -2.3000001E-03
 C  -0.7991000      -1.639500      3.7999999E-02
 C   0.7139000      -1.487900      0.4535000    
 C    1.015400     -4.7100000E-02  0.1437000    
 C  -0.8729000      -2.269700      -1.360500    
 C   -1.495300      -2.504000       1.093300    
 C    2.243200      0.4610000      2.6000000E-03
 C   -2.592500      0.2444000     -3.0000000E-03
 C    2.655600       1.850100     -0.3000000    
 C    3.471800     -0.3186000      0.1308000    
 C   -3.633800     -0.5049000     -0.5928000    
 C   -2.926700       1.488100      0.5755000    
 C    4.621100      0.6177000     -9.7800002E-02
 C   -4.946400     -3.3000000E-02 -0.6034000    
 C   -4.239200       1.959900      0.5650000    
 C   -5.249100       1.199400     -2.4499999E-02
 H    1.338600      -2.198200     -9.5299996E-02
 H   0.8467000      -1.655900       1.529400    
 H  -0.2372000       1.539900     -0.3232000    
 H   -1.886100      -2.546000      -1.655600    
 H  -0.4769000      -1.594800      -2.127700    
 H  -0.2864000      -3.195400      -1.397800    
 H   -2.541200      -2.697700      0.8366000    
 H  -0.9991000      -3.475900       1.192300    
 H   -1.487000      -2.016600       2.074900    
 H    2.290900       2.184700      -1.275600    
 H    2.339700       2.551800      0.4775000    
 H   -3.459900      -1.466800      -1.054800    
 H   -2.162100       2.099000       1.050400    
 H   -5.733400     -0.6248000      -1.061600    
 H   -4.475700       2.918500       1.017500    
 H   -6.271200       1.566500     -3.2099999E-02


%chk=000039662-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039662

0 1
O 3.948122 2.019216 -0.406735
O 3.335264 -1.063548 1.377791
O 5.583887 0.889916 0.811332
N -1.380043 -0.468871 -0.801645
N -0.231307 0.398780 -0.809941
C -0.823884 -1.808634 -0.253577
C 0.418233 -1.348219 0.578958
C 0.847243 -0.057590 -0.095369
C -0.378555 -2.648482 -1.471756
C -1.843387 -2.568389 0.606568
C 2.101206 0.534371 -0.045254
C -2.562669 0.149194 -0.233102
C 2.506234 1.822989 -0.733247
C 3.235106 -0.013012 0.669780
C -3.827024 -0.360236 -0.628151
C -2.500099 1.265536 0.642040
C 4.414495 0.952267 0.414639
C -5.011064 0.216578 -0.124346
C -3.691879 1.849989 1.124828
C -4.951120 1.325803 0.753069
H 1.237461 -2.084245 0.579661
H 0.166261 -1.155333 1.639350
H -0.231117 1.158439 -1.491497
H -1.245500 -2.885269 -2.111970
H 0.362169 -2.103128 -2.083236
H 0.083932 -3.594616 -1.137091
H -2.712476 -2.905788 0.016566
H -1.350618 -3.464465 1.023458
H -2.211584 -1.956140 1.447559
H 2.430620 1.786143 -1.837736
H 1.968591 2.716209 -0.362030
H -3.869744 -1.186272 -1.345631
H -1.528022 1.668703 0.944683
H -5.981611 -0.186279 -0.434001
H -3.634972 2.711395 1.799665
H -5.872248 1.781289 1.131367


