%chk=000058602.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058602

0 1
 O  -0.4800000      -1.230000     -0.2031000    
 N    3.795000       1.227800      3.0000001E-04
 N    2.243000     -0.5318000     -0.2277000    
 C   0.4988000      -2.153100     -0.6626000    
 C    1.811800      -1.890700      5.1700000E-02
 C   -1.719300      -1.406200     -0.8759000    
 C    3.337100     -6.4400002E-02  0.2954000    
 C   -2.708200     -0.4077000     -0.3502000    
 C    4.186700     -0.9198000       1.230800    
 C   -3.508800     -0.7387000      0.7373000    
 C   -2.815000      0.8398000     -0.9551000    
 C    2.854700       2.306100     -0.2964000    
 C    5.207400       1.568400     -0.1292000    
 C   -4.428100      0.1895000       1.226200    
 C   -3.734300       1.768000     -0.4661000    
 C   -4.540700       1.442700      0.6247000    
 H   0.1644000      -3.176300     -0.4570000    
 H   0.6329000      -2.035100      -1.744500    
 H    2.557700      -2.617400     -0.2880000    
 H    1.646100      -2.018500       1.127400    
 H   -2.091300      -2.426200     -0.7172000    
 H   -1.583900      -1.269500      -1.956200    
 H    3.568600      -1.345200       2.025300    
 H    4.968700     -0.3260000       1.710500    
 H    4.656200      -1.725200      0.6593000    
 H   -3.427800      -1.711200       1.215000    
 H   -2.190100       1.104500      -1.803600    
 H    2.619500       2.314700      -1.365300    
 H    3.273800       3.280200     -2.2399999E-02
 H    1.924000       2.180300      0.2671000    
 H    5.591300       1.944900      0.8238000    
 H    5.358800       2.338900     -0.8929000    
 H    5.797500      0.6958000     -0.4279000    
 H   -5.055700     -6.3400000E-02   2.075800    
 H   -3.821600       2.744200     -0.9339000    
 H   -5.256200       2.165600       1.005600    


%chk=000058602-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058602

0 1
O -0.128480 -1.560817 -0.264235
N 3.571292 1.074955 -0.456275
N 2.763106 -1.043280 -1.008988
C 0.667219 -2.380302 -1.189624
C 2.133288 -2.336622 -0.730650
C -1.543538 -1.508360 -0.643278
C 2.892481 -0.103322 -0.094614
C -2.241742 -0.432637 0.167491
C 2.399354 -0.168411 1.350831
C -3.587175 -0.602052 0.576300
C -1.571187 0.774462 0.487162
C 4.036436 1.249213 -1.840066
C 3.600537 2.279498 0.378911
C -4.259067 0.422315 1.282192
C -2.238934 1.795879 1.197995
C -3.586448 1.625833 1.595089
H 0.296851 -3.430825 -1.180925
H 0.583456 -1.977412 -2.222722
H 2.674854 -3.106639 -1.316289
H 2.162912 -2.663905 0.333338
H -2.026829 -2.496790 -0.477681
H -1.621588 -1.276672 -1.731577
H 1.822829 -1.088023 1.519314
H 1.720005 0.672127 1.579335
H 3.241048 -0.133882 2.067665
H -4.112327 -1.537938 0.346367
H -0.526201 0.890099 0.181437
H 5.051398 1.690912 -1.845186
H 3.360303 1.913224 -2.419598
H 4.044909 0.259642 -2.320468
H 2.767675 2.980278 0.146081
H 4.550005 2.819480 0.203431
H 3.552385 2.031776 1.449785
H -5.300189 0.278530 1.592913
H -1.711192 2.725285 1.441978
H -4.104447 2.419383 2.145560


