%chk=000087034.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087034

0 1
 O    4.037100      0.3445000     -0.6373000    
 N    2.164100      0.2505000      0.7399000    
 N    3.791800      -1.373900      0.8650000    
 C  -0.5447000      0.2238000     -0.5612000    
 C   0.5634000       1.165600     -0.9021000    
 C   -1.760500      0.6929000     -6.3600004E-02
 C    1.511400       1.443000      0.2699000    
 C   -2.780400     -0.2065000      0.2476000    
 C  -0.3490000      -1.144800     -0.7475000    
 C   -1.970500       2.160300      0.1364000    
 C   -2.584600      -1.574900      6.1400000E-02
 C   -1.368900      -2.044000     -0.4362000    
 C   -4.091600      0.2701000      0.7818000    
 C    3.382300     -0.2066000      0.2458000    
 H   0.1734000       2.111600      -1.295300    
 H    1.141800      0.7450000      -1.736800    
 H    2.273800       2.165100     -4.2599998E-02
 H   0.9762000       1.868600       1.124200    
 H   0.5911000      -1.527200      -1.136600    
 H   -2.209000       2.636500     -0.8205000    
 H   -2.778200       2.393200      0.8355000    
 H   -1.089900       2.646400      0.5651000    
 H   -3.368000      -2.289600      0.2996000    
 H   -1.216400      -3.109500     -0.5815000    
 H   -3.970500      0.6872000       1.786800    
 H   -4.536700       1.019100      0.1184000    
 H   -4.815500     -0.5492000      0.8579000    
 H    1.708500     -0.2901000       1.468900    
 H    3.236900      -1.814800       1.590700    
 H    4.662800      -1.826600      0.6091000    


%chk=000087034-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087034

0 1
O 4.286754 0.664417 0.030129
N 2.092885 0.205453 0.726330
N 3.829166 -1.322543 1.163117
C -0.570439 0.202766 -0.740977
C 0.607902 1.102583 -1.098009
C -1.748222 0.694830 -0.097074
C 1.524702 1.415191 0.123147
C -2.794990 -0.216584 0.250554
C -0.462411 -1.185745 -1.024321
C -1.926336 2.168936 0.236900
C -2.653257 -1.595284 -0.040692
C -1.492955 -2.083834 -0.678377
C -4.062802 0.278353 0.926473
C 3.448477 -0.100016 0.601933
H 0.269757 2.064796 -1.527043
H 1.229236 0.611589 -1.868692
H 2.380061 2.034233 -0.198003
H 0.955283 1.978717 0.887507
H 0.435534 -1.553499 -1.535458
H -2.894047 2.549124 -0.140916
H -1.930487 2.335554 1.332434
H -1.131845 2.800103 -0.189286
H -3.461339 -2.285564 0.229766
H -1.397363 -3.150724 -0.909649
H -3.845395 0.808135 1.873879
H -4.616248 0.992135 0.285421
H -4.741651 -0.560105 1.156931
H 1.438390 -0.492950 1.083011
H 3.198256 -1.927735 1.683823
H 4.813582 -1.566635 1.099941


