%chk=000163084.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163084

0 1
 O   -1.031100       1.986300      -2.304100    
 O   0.6394000      0.5927000     -0.5249000    
 N   -2.713600      0.4651000      0.6178000    
 N    2.219300       1.257500       1.021400    
 N    1.789500      -2.444600      -2.056900    
 C   -3.579400     -0.7127000      0.7365000    
 C   -2.273300      0.6388000     -0.7561000    
 C   -1.362800       1.858300     -0.9186000    
 C   -4.024800     -0.8463000       2.196600    
 C   -4.799500     -0.5150000     -0.1693000    
 C   -2.800900      -1.961700      0.3067000    
 C  -6.9100000E-02   1.757500     -0.1133000    
 C    1.839900      0.3537000      8.8900000E-02
 C    2.589000     -0.7605000     -0.2577000    
 C    3.801700     -0.9595000      0.3929000    
 C    3.403700       1.030900       1.632500    
 C    4.224000     -5.1199999E-02   1.357300    
 C    2.148100      -1.689300      -1.249800    
 H   -1.907600      0.3524000       1.231100    
 H   -1.730600     -0.2260000      -1.150500    
 H   -3.116000      0.8102000      -1.434000    
 H   -1.895200       2.770900     -0.6245000    
 H   -4.571800      4.3600000E-02   2.529700    
 H   -4.686100      -1.709800       2.331800    
 H   -3.166700     -0.9805000       2.865700    
 H   -4.581600     -0.6439000      -1.234700    
 H   -5.259700      0.4697000     -2.3000000E-02
 H   -5.569000      -1.260500      6.7699999E-02
 H   -1.820700      -2.017900      0.7953000    
 H   -3.350500      -2.866300      0.5959000    
 H   -2.654000      -2.037200     -0.7756000    
 H  -0.2801000       1.727600      0.9617000    
 H   0.5439000       2.641000     -0.3343000    
 H   -1.860700       2.118100      -2.794100    
 H    4.428400      -1.816700      0.1597000    
 H    3.687500       1.768100       2.376300    
 H    5.165600     -0.1860000       1.877200    


%chk=000163084-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000163084

0 1
O -0.441973 2.250155 -1.829905
O 0.398092 0.672161 0.698850
N -2.546348 0.112453 0.476973
N 2.534707 1.692222 0.572364
N 0.667753 -2.804616 0.683666
C -3.622072 -0.937348 0.422581
C -1.963319 0.566495 -0.802974
C -1.249282 1.932751 -0.635675
C -3.912375 -1.324386 1.893334
C -4.901900 -0.333546 -0.206596
C -3.174876 -2.201488 -0.370827
C -0.287900 1.989485 0.553436
C 1.766222 0.582016 0.617594
C 2.307031 -0.749663 0.608321
C 3.715538 -0.882882 0.546416
C 3.887678 1.537246 0.508362
C 4.522434 0.275393 0.494140
C 1.427938 -1.880975 0.651300
H -1.785096 -0.216271 1.091347
H -1.224799 -0.144013 -1.238198
H -2.777280 0.694739 -1.542184
H -2.013967 2.722054 -0.464515
H -4.225199 -0.434846 2.468625
H -4.713876 -2.082651 1.946458
H -3.011035 -1.751454 2.374042
H -4.762112 -0.085509 -1.275212
H -5.188056 0.587706 0.330869
H -5.735430 -1.056564 -0.143678
H -2.257331 -2.638043 0.067497
H -3.966337 -2.974239 -0.358849
H -2.963624 -1.954694 -1.428145
H -0.848113 2.132733 1.490746
H 0.465564 2.780909 0.414317
H -0.988392 2.096255 -2.641915
H 4.160098 -1.882566 0.536239
H 4.471152 2.463466 0.468938
H 5.611685 0.204317 0.443557


