%chk=000123018.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123018

0 1
 O   -2.504200       1.552500     -4.5800000E-02
 O    3.759400      0.3340000     -0.6794000    
 O    2.121000      -2.672300      0.2668000    
 O    4.017800      0.8091000       1.575800    
 N    2.650400     -0.4744000     -0.3253000    
 C    1.323000      4.7100000E-02 -0.2538000    
 C   -1.239600       1.054300     -0.1153000    
 C   0.4346000     -0.5169000      0.6369000    
 C   0.9759000       1.096700      -1.077800    
 C  -0.8620000     -7.3000002E-03  0.7070000    
 C  -0.3207000       1.606300      -1.007600    
 C   -3.551500      0.6473000     -5.9000002E-03
 C    2.936100      -1.805900     -5.2499998E-02
 C   -3.546000     -0.4280000     -0.8759000    
 C   -4.576200      0.8422000      0.9022000    
 C    4.393300      -2.198500     -0.1735000    
 C   -4.601400      -1.339300     -0.8366000    
 C   -5.631600     -6.9100000E-02  0.9418000    
 C   -5.644100      -1.159900      7.2300002E-02
 C    4.354300      0.9252000      0.4051000    
 C    5.511400       1.757000     -5.8800001E-02
 H   0.6974000      -1.291500       1.347700    
 H    1.679500       1.532800      -1.780500    
 H   -1.545900     -0.4310000       1.438000    
 H  -0.6095000       2.432500      -1.651500    
 H   -2.758500     -0.5767000      -1.608800    
 H   -4.567700       1.690700       1.579600    
 H    4.477600      -3.289200     -0.1339000    
 H    4.966400      -1.780500      0.6574000    
 H    4.809900      -1.866800      -1.128300    
 H   -4.614100      -2.185600      -1.517100    
 H   -6.443600      7.0699997E-02   1.649400    
 H   -6.466500      -1.868600      0.1021000    
 H    5.984100       2.233900      0.8046000    
 H    6.250000       1.121000     -0.5532000    
 H    5.158300       2.537500     -0.7374000    


%chk=000123018-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123018

0 1
O -2.424510 1.333846 -0.142421
O 3.843811 0.330950 -0.635357
O 2.547200 -2.979836 0.007714
O 4.073764 0.646532 1.701017
N 2.858592 -0.709055 -0.336812
C 1.503980 -0.237181 -0.284806
C -1.146027 0.729053 -0.202779
C 0.522842 -0.921115 0.479254
C 1.149296 0.934359 -1.002157
C -0.799866 -0.438159 0.516861
C -0.171229 1.419007 -0.954952
C -3.605083 0.555626 -0.016237
C 3.347040 -2.020707 -0.188169
C -3.762445 -0.711060 -0.626251
C -4.670255 1.168454 0.679487
C 4.854963 -2.189650 -0.281433
C -5.007645 -1.370120 -0.519782
C -5.909557 0.498879 0.773067
C -6.083437 -0.773598 0.178753
C 4.355592 1.001973 0.551447
C 5.229412 2.145181 0.097836
H 0.793056 -1.823439 1.028629
H 1.901937 1.455714 -1.599458
H -1.548676 -0.961281 1.118948
H -0.461579 2.322483 -1.498703
H -2.936848 -1.167008 -1.181392
H -4.512730 2.152953 1.130059
H 5.069036 -3.268323 -0.274289
H 5.355211 -1.723183 0.586653
H 5.263736 -1.732138 -1.198003
H -5.135804 -2.350242 -0.992445
H -6.737703 0.971046 1.312914
H -7.045111 -1.291683 0.255377
H 6.069341 2.268204 0.799310
H 5.601614 1.985388 -0.925236
H 4.635381 3.077430 0.111155


