%chk=000028635.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028635

0 1
 O   0.9199000      0.3100000     -7.6399997E-02
 O    1.881200       2.384900     -0.3411000    
 N   -5.237900     -0.1815000     -0.1378000    
 N    6.894100      -1.552300      0.2961000    
 C   -3.897300     -0.7400000     -5.5000000E-03
 C   -2.846700      0.3556000     -0.1780000    
 C   -1.433100     -0.2102000     -5.1800001E-02
 C   -5.470100      0.8471000      0.8776000    
 C   -6.248000      -1.235900     -3.2699998E-02
 C  -0.3778000      0.8805000     -0.1801000    
 C   -6.839200       1.484100      0.7107000    
 C   -6.026000      -2.315300      -1.078500    
 C    1.964700       1.178000     -0.1743000    
 C    3.258800      0.4604000     -5.1899999E-02
 C    4.363800      0.9610000     -0.7095000    
 C    3.316600     -0.6843000      0.7166000    
 C    5.579900      0.2874000     -0.5936000    
 C    4.532800      -1.357700      0.8326000    
 C    5.664300     -0.8719000      0.1775000    
 H   -3.765900      -1.239600      0.9633000    
 H   -3.693000      -1.478300     -0.7877000    
 H   -2.924400       1.125400      0.5947000    
 H   -2.964700      0.8463000      -1.152200    
 H   -1.259400     -0.9745000     -0.8196000    
 H   -1.309300     -0.7197000      0.9121000    
 H   -5.362000      0.4538000       1.896200    
 H   -4.775100       1.683000      0.7678000    
 H   -6.264700      -1.689700      0.9663000    
 H   -7.246800     -0.8335000     -0.2308000    
 H  -0.5107000       1.623000      0.6158000    
 H  -0.4761000       1.379900      -1.151300    
 H   -7.028100       1.776400     -0.3280000    
 H   -7.649000      0.8307000       1.049700    
 H   -6.898500       2.393100       1.320400    
 H   -5.858900      -1.890700      -2.074500    
 H   -5.192500      -2.978400     -0.8268000    
 H   -6.917000      -2.950400      -1.142300    
 H    4.309800       1.860700      -1.315000    
 H    2.453800      -1.075300       1.247500    
 H    6.454500      0.6757000      -1.109300    
 H    4.586800      -2.258300       1.439000    
 H    7.714300      -1.202000     -0.1805000    
 H    6.955200      -2.394300      0.8531000    


%chk=000028635-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028635

0 1
O 0.939838 0.194095 -0.180269
O 1.879466 2.109182 -1.128024
N -5.328133 -0.255574 0.176412
N 7.125522 -1.372086 0.544406
C -3.932077 -0.712289 0.402669
C -2.881610 0.267227 -0.164204
C -1.435832 -0.215942 0.096427
C -5.754629 0.775939 1.161595
C -6.295227 -1.381381 0.071295
C -0.405615 0.762655 -0.467693
C -6.877249 1.688380 0.630940
C -6.222381 -2.110678 -1.284351
C 2.032032 0.986507 -0.576233
C 3.329639 0.345882 -0.268595
C 4.525723 1.037361 -0.604111
C 3.428283 -0.932523 0.345753
C 5.782285 0.476422 -0.337773
C 4.680600 -1.504075 0.616302
C 5.881952 -0.808660 0.278773
H -3.728073 -0.888802 1.490822
H -3.800259 -1.688908 -0.099512
H -3.022376 1.272152 0.282504
H -3.063922 0.378986 -1.250335
H -1.280290 -1.211037 -0.364573
H -1.263776 -0.334464 1.184170
H -6.071536 0.308099 2.129428
H -4.875100 1.403689 1.394982
H -6.159846 -2.117182 0.905732
H -7.312047 -0.964201 0.187293
H -0.477589 1.761837 0.001329
H -0.508466 0.892180 -1.561533
H -6.550058 2.188394 -0.297051
H -7.798853 1.121965 0.404596
H -7.135272 2.460129 1.380356
H -6.415286 -1.399485 -2.106210
H -5.230353 -2.566675 -1.456294
H -6.974602 -2.920692 -1.329743
H 4.440849 2.021389 -1.077536
H 2.510111 -1.467137 0.605186
H 6.695740 1.022519 -0.602907
H 4.742713 -2.491672 1.089576
H 7.982240 -0.881429 0.304304
H 7.201764 -2.286896 0.979893


