%chk=000063269.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063269

0 1
 O  -0.6148000       2.270000     -0.9502000    
 O   0.7838000      -2.789400      -1.340700    
 N   0.1811000      0.2666000     -5.0000002E-04
 N   -1.392100      -1.352900      0.7499000    
 C  -0.1687000     -0.9658000      0.5565000    
 C    1.547000      0.7050000     -8.8600002E-02
 C   -2.205600      0.7117000     -0.2744000    
 C  -0.8094000       1.158500     -0.4636000    
 C   0.9057000      -1.970000      0.9208000    
 C   -2.437000     -0.5152000      0.3474000    
 C    2.135800       1.397100      0.9633000    
 C    2.267700      0.4239000      -1.244000    
 C   -3.274200       1.516100     -0.6878000    
 C   -3.757300     -0.9326000      0.5524000    
 C    3.462800       1.814100      0.8588000    
 C    1.378500       1.709300       2.213200    
 C    1.284200      -2.872400     -0.2200000    
 C    3.594600      0.8409000      -1.348500    
 C   -4.584400       1.088400     -0.4782000    
 C    4.192300       1.535900     -0.2972000    
 C   -4.826500     -0.1347000      0.1425000    
 C    2.336500      -3.904700      8.8699996E-02
 H   0.5258000      -2.601400       1.733000    
 H    1.806700      -1.470300       1.283500    
 H    1.811200     -0.1140000      -2.070300    
 H   -3.107200       2.475200      -1.170000    
 H   -3.961100      -1.887500       1.031200    
 H    3.944200       2.356700       1.668100    
 H    1.993100       2.260300       2.933700    
 H   0.5061000       2.332100       1.990200    
 H    1.050600      0.7885000       2.706100    
 H    4.162400      0.6247000      -2.248700    
 H   -5.416100       1.709600     -0.7974000    
 H    5.225500       1.860500     -0.3788000    
 H   -5.846900     -0.4687000      0.3061000    
 H    3.262700      -3.406600      0.3860000    
 H    2.531200      -4.509800     -0.8012000    
 H    1.985400      -4.559600      0.8899000    


%chk=000063269-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063269

0 1
O -0.527808 2.437177 -0.580161
O 1.163984 -2.627959 -1.493289
N 0.192746 0.295521 0.078521
N -1.360495 -1.466385 0.630142
C -0.123433 -1.008538 0.511344
C 1.578894 0.739815 -0.059554
C -2.207002 0.732489 -0.142509
C -0.833620 1.257285 -0.244847
C 0.999120 -1.958951 0.865070
C -2.424877 -0.614359 0.290342
C 2.157255 1.556694 0.950390
C 2.296682 0.364459 -1.215100
C -3.309065 1.565286 -0.469470
C -3.756223 -1.106103 0.387315
C 3.502182 1.964465 0.767013
C 1.362184 2.003884 2.160241
C 1.408953 -2.897381 -0.291463
C 3.634009 0.786992 -1.375370
C -4.618007 1.066070 -0.372166
C 4.237740 1.587342 -0.379341
C -4.838379 -0.274040 0.057646
C 2.130560 -4.169290 0.127308
H 0.660264 -2.580788 1.711833
H 1.910277 -1.419198 1.187437
H 1.804294 -0.256370 -1.969891
H -3.104234 2.589977 -0.796212
H -3.901433 -2.138673 0.718523
H 3.971529 2.594705 1.531533
H 2.015250 2.478758 2.911477
H 0.594731 2.740681 1.857674
H 0.832331 1.163544 2.645886
H 4.192660 0.498267 -2.271742
H -5.470455 1.704599 -0.626705
H 5.274262 1.922697 -0.496486
H -5.861723 -0.658549 0.130915
H 2.892099 -3.963172 0.901589
H 2.599161 -4.647729 -0.746286
H 1.399189 -4.873721 0.569595


