%chk=000033271.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033271

0 1
 O   -2.504100       2.509600     -0.4900000    
 O   -2.861800      -2.132900     -0.2187000    
 O    3.523100      0.9765000      4.4399999E-02
 N  -0.6077000       1.227300     -8.1100002E-02
 N  -0.7339000      -1.198500     -0.1299000    
 N    1.461700     -0.1006000      8.8100001E-02
 C   -1.140700      5.1199999E-02 -0.7626000    
 C   0.7424000       1.111700      0.4759000    
 C   0.6988000      -1.350900      0.1263000    
 C   -1.375000       2.391300     -8.7000001E-03
 C   -1.670500      -2.209400      8.9500003E-02
 C    2.845200     -4.3900002E-02 -9.7400002E-02
 C  -0.7429000       3.559200      0.7091000    
 C   -1.151600      -3.458300      0.7603000    
 C    3.517000      -1.332300     -0.5053000    
 H   -2.230500      0.1148000     -0.8380000    
 H  -0.7397000      5.2099999E-02  -1.783300    
 H    1.321700       1.998400      0.2016000    
 H   0.6497000       1.098400       1.568300    
 H   0.8472000      -1.789700       1.118400    
 H    1.086500      -2.055000     -0.6154000    
 H   -1.482900       4.357000      0.8253000    
 H   9.4999999E-02   3.947700      0.1246000    
 H  -0.4048000       3.264100       1.705600    
 H   -1.952500      -4.202100      0.8128000    
 H  -0.8275000      -3.228900       1.778800    
 H  -0.3257000      -3.887800      0.1878000    
 H    3.336500      -2.110600      0.2408000    
 H    4.597200      -1.172600     -0.5766000    
 H    3.151800      -1.651500      -1.485000    


%chk=000033271-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033271

0 1
O -1.683549 2.479993 -1.585351
O -2.734213 -2.324630 0.868089
O 2.927645 0.933590 1.350190
N -0.885889 1.145436 0.137330
N -0.975576 -1.225644 -0.176938
N 1.086884 -0.184798 0.483957
C -1.769540 0.026141 -0.278355
C 0.132448 0.768566 1.122933
C 0.437135 -1.078550 -0.525228
C -0.872175 2.325832 -0.623092
C -1.530453 -2.339821 0.476295
C 2.462299 0.015858 0.605061
C 0.125900 3.405761 -0.218134
C -0.635894 -3.562249 0.665855
C 3.362111 -0.935254 -0.179952
H -2.649033 -0.088752 0.378346
H -2.108995 0.232991 -1.308490
H 0.712607 1.627808 1.485493
H -0.359643 0.284228 1.985844
H 0.935634 -2.057054 -0.548871
H 0.509840 -0.625551 -1.535445
H 0.023535 4.236284 -0.931324
H 1.170248 3.045600 -0.232439
H -0.084339 3.785878 0.798333
H -1.222865 -4.317224 1.208374
H 0.269765 -3.328565 1.254839
H -0.321059 -3.993745 -0.302061
H 3.279562 -1.969858 0.202719
H 4.401475 -0.599349 -0.054464
H 3.118134 -0.948621 -1.257913


