%chk=000000652.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000652

0 1
 O   -5.641100     -0.2109000      0.4325000    
 O   -4.422200     -0.5186000      -1.464000    
 N    3.231000       1.644700     -0.8856000    
 N    3.510200      -1.676200      0.8692000    
 C    3.149800      0.6831000      0.2192000    
 C    1.757500      0.7695000      0.8910000    
 C   0.5278000      0.3670000      6.3400000E-02
 C    3.540700     -0.7392000     -0.2601000    
 C  -0.8022000      0.4295000      0.8153000    
 C   -1.979500      0.1246000     -0.1187000    
 C    4.936700     -0.7947000     -0.8919000    
 C   -3.323200      0.1441000      0.6102000    
 C   -4.485500     -0.2228000     -0.2803000    
 H    3.886600       1.006900      0.9667000    
 H    1.606800       1.803800       1.231700    
 H    1.767100      0.1739000       1.812400    
 H   0.6630000     -0.6539000     -0.3118000    
 H   0.4658000       1.018500     -0.8165000    
 H    2.824700      -1.091200      -1.012000    
 H  -0.9321000       1.427100       1.251200    
 H  -0.7878000     -0.2880000       1.644300    
 H   -1.999700      0.8535000     -0.9386000    
 H   -1.831300     -0.8597000     -0.5809000    
 H    5.703500     -0.4267000     -0.2011000    
 H    4.983900     -0.1920000      -1.804700    
 H    5.198300      -1.822200      -1.170000    
 H    2.918000       2.561700     -0.5699000    
 H    2.596700       1.367800      -1.633400    
 H   -3.297200     -0.5714000       1.440000    
 H   -3.505700       1.146400       1.013400    
 H    2.563100      -1.757200       1.233900    
 H    4.084500      -1.319300       1.631800    
 H   -6.413400     -0.4594000     -0.1189000    


%chk=000000652-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000652

0 1
O -5.739096 -0.071283 0.515825
O -4.534417 -0.662908 -1.378190
N 3.215556 1.676656 -0.959306
N 3.387381 -1.765262 0.699240
C 3.133295 0.742123 0.189404
C 1.748745 0.753624 0.913796
C 0.553047 0.289015 0.049960
C 3.569471 -0.688680 -0.296335
C -0.805344 0.450063 0.769461
C -2.002856 0.008628 -0.100262
C 5.043041 -0.681643 -0.748473
C -3.346447 0.174445 0.634498
C -4.541692 -0.234212 -0.203992
H 3.892546 1.075810 0.929216
H 1.556011 1.791824 1.257783
H 1.805973 0.133354 1.832262
H 0.681079 -0.772069 -0.247512
H 0.530218 0.874145 -0.893525
H 2.938893 -0.947806 -1.173641
H -0.933737 1.512000 1.067574
H -0.792577 -0.136750 1.712243
H -2.022601 0.595558 -1.038576
H -1.878613 -1.048269 -0.405016
H 5.710721 -0.525694 0.123125
H 5.220439 0.139575 -1.461299
H 5.306423 -1.648080 -1.211217
H 3.077828 2.661734 -0.708972
H 2.623434 1.404280 -1.752365
H -3.368008 -0.422166 1.567775
H -3.500626 1.224838 0.951787
H 2.423385 -1.917715 1.009489
H 4.047576 -1.720642 1.482618
H -6.504250 -0.345791 -0.059576


