%chk=000086826.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086826

0 1
 O   -2.027300       1.969900     -0.4288000    
 O    2.702200      0.8829000     -6.1799999E-02
 N  -0.2237000     -0.8039000      0.4846000    
 C  -0.7054000       1.465000     -0.3357000    
 C    2.191100     -0.3347000      0.4554000    
 C  -0.5107000      0.5745000      0.8798000    
 C   0.9958000     -0.8615000     -0.3204000    
 C   -1.351800      -1.368800     -0.2553000    
 C  -0.9831000       2.906700     -0.1340000    
 C    3.526100     -0.2834000     -0.1859000    
 C   -2.608400      -1.363300      0.6107000    
 C   -1.004700      -2.783400     -0.7083000    
 H  -0.1794000       1.222100      -1.243500    
 H    2.164900     -0.5070000       1.523100    
 H   -1.362400      0.6372000       1.566800    
 H   0.3146000      0.9830000       1.475500    
 H    1.271300      -1.909000     -0.4868000    
 H   0.9253000     -0.4162000      -1.318500    
 H   -1.574300     -0.7994000      -1.167300    
 H  -0.9452000       3.315300      0.8674000    
 H  -0.7010000       3.599700     -0.9161000    
 H    4.402900     -0.3425000      0.4458000    
 H    3.650900     -0.7051000      -1.174800    
 H   -3.399000      -1.959900      0.1402000    
 H   -2.421000      -1.799900       1.598500    
 H   -3.028900     -0.3626000      0.7454000    
 H  -0.2994000      -2.798200      -1.545900    
 H   -1.903100      -3.297500      -1.071000    
 H  -0.6009000      -3.390000      0.1107000    


%chk=000086826-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086826

0 1
O -1.866487 1.799698 -0.879850
O 2.719494 0.925308 0.210839
N -0.162026 -0.812506 0.391014
C -0.487444 1.653076 -0.247513
C 2.320668 -0.533843 0.399352
C -0.343336 0.595017 0.843229
C 1.102558 -1.014962 -0.361373
C -1.352861 -1.419360 -0.305992
C -1.291331 2.893233 -0.013250
C 3.588681 -0.188649 -0.316233
C -2.655049 -1.170213 0.487573
C -1.152159 -2.943626 -0.490314
H 0.328618 1.711371 -0.978498
H 2.381958 -0.861914 1.446152
H -1.223619 0.639917 1.505718
H 0.532159 0.874440 1.458197
H 1.233016 -2.099236 -0.532383
H 1.098980 -0.528886 -1.370365
H -1.480937 -0.958258 -1.316970
H -1.798791 3.027759 0.951723
H -1.032444 3.816958 -0.545034
H 4.550645 -0.308318 0.196686
H 3.621205 -0.263364 -1.411431
H -3.474747 -1.757230 0.036093
H -2.536983 -1.494176 1.538708
H -2.955620 -0.110057 0.457019
H -0.353027 -3.194915 -1.210065
H -2.084350 -3.394581 -0.874731
H -0.911372 -3.412683 0.481499