%chk=000026799.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026799

0 1
 O   0.4277000       1.135700     -0.1860000    
 O   -5.820000       1.164500     -2.3800001E-02
 N    1.440800      -1.548200      0.3459000    
 N    5.255600       1.529300     -0.2066000    
 C    2.372000     -0.6415000       1.009200    
 C    3.361000     -1.3200000E-02  2.7700000E-02
 C    4.330400      0.9209000      0.7489000    
 C   0.2338000      -1.195200     -0.1799000    
 C    1.666300      -2.881000      0.1682000    
 C  -0.3328000      -2.332700     -0.7111000    
 C   0.5736000      -3.399200     -0.4911000    
 C  -0.3135000      0.1272000     -0.1663000    
 C    6.053300      0.4998000     -0.8718000    
 C    6.124500       2.493800      0.4666000    
 C   -1.793700      0.4059000     -0.1284000    
 C   -2.605400     -0.5027000      0.4969000    
 C   -2.249700       1.553500     -0.7206000    
 C   -3.975600     -0.2444000      0.5327000    
 C   -3.620000       1.811700     -0.6849000    
 C   -4.483000      0.9128000     -5.8300000E-02
 C   -6.645100      0.2032000      0.6330000    
 H    1.799000      0.1084000       1.563500    
 H    2.910300      -1.235000       1.759100    
 H    3.890500     -0.8386000     -0.4610000    
 H    2.830500      0.5298000     -0.7633000    
 H    4.869600      0.3736000       1.533300    
 H    3.747300       1.707600       1.244300    
 H    2.574400      -3.355500      0.5152000    
 H   -1.283600      -2.403900      -1.221500    
 H   0.4467000      -4.431500     -0.7852000    
 H    5.463200     -7.4400000E-02  -1.592300    
 H    6.528700     -0.1877000     -0.1627000    
 H    6.849800      0.9618000      -1.468200    
 H    6.782200       2.990500     -0.2554000    
 H    6.748500       2.022900       1.235000    
 H    5.530300       3.283100      0.9406000    
 H   -2.235200      -1.390500      0.9977000    
 H   -1.591100       2.258000      -1.218000    
 H   -4.588100     -0.9800000       1.043000    
 H   -4.009700       2.713900      -1.148300    
 H   -6.404000      0.1273000       1.698700    
 H   -6.610000     -0.7687000      0.1291000    
 H   -7.677300      0.5621000      0.5636000    


%chk=000026799-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000026799

0 1
O 0.431408 1.126251 0.229927
O -5.952973 1.287389 -0.082238
N 1.502190 -1.603207 0.420246
N 5.423583 1.469782 -0.306259
C 2.522762 -0.722272 1.034757
C 3.454030 -0.082139 -0.017474
C 4.475374 0.857997 0.654284
C 0.189502 -1.257638 0.022638
C 1.723424 -2.937438 0.124968
C -0.391440 -2.425959 -0.540796
C 0.570193 -3.473756 -0.479870
C -0.344981 0.109217 0.115028
C 6.390588 0.506180 -0.867282
C 6.103612 2.650923 0.264496
C -1.828481 0.320785 0.053934
C -2.776850 -0.627209 0.516779
C -2.302953 1.579090 -0.418056
C -4.160079 -0.347752 0.495157
C -3.673179 1.866796 -0.459125
C -4.610555 0.900551 -0.004370
C -6.966373 0.332138 0.375997
H 2.004578 0.071317 1.595428
H 3.107915 -1.336900 1.746199
H 3.966376 -0.884151 -0.582502
H 2.845668 0.502548 -0.727908
H 5.020380 0.304988 1.469330
H 3.918045 1.680437 1.142553
H 2.672310 -3.412469 0.370634
H -1.381332 -2.475555 -0.989770
H 0.453083 -4.496096 -0.834644
H 5.865856 -0.302454 -1.403439
H 7.047104 0.038002 -0.087269
H 7.041267 1.021790 -1.595919
H 6.734896 3.125082 -0.508606
H 6.758681 2.409885 1.141782
H 5.351820 3.390778 0.591739
H -2.432538 -1.578162 0.935221
H -1.565446 2.319684 -0.743707
H -4.864980 -1.092913 0.875466
H -4.048090 2.824706 -0.831735
H -6.839802 0.097808 1.450617
H -6.932853 -0.602923 -0.215879
H -7.929542 0.838270 0.217164


