%chk=000056253.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056253

0 1
 O   -3.903500      0.6080000      -1.542400    
 O    5.104700      0.1748000     -0.2894000    
 O   -4.989500     -0.4372000      0.7936000    
 N    1.212300      -1.430100     -0.5348000    
 N    1.258400       1.757700      0.9859000    
 C   0.5558000     -0.3805000      5.6200001E-02
 C    2.761700      7.6099999E-02 -2.2100000E-02
 C    1.498200      0.5710000      0.3850000    
 C    2.555400      -1.162500     -0.5881000    
 C  -0.8745000     -0.3931000      0.2427000    
 C    3.498900      -2.131600      -1.179500    
 C   -1.712300      0.1184000     -0.7484000    
 C    4.045300      0.7078000      0.1076000    
 C   -1.419900     -0.9175000       1.414700    
 C   -3.095400      0.1056000     -0.5674000    
 C   -2.802800     -0.9303000       1.595700    
 C   -3.640600     -0.4189000      0.6045000    
 C    4.175200       2.087600      0.7510000    
 C   -4.227600       1.994700      -1.464600    
 H   0.7719000      -2.272800     -0.8790000    
 H    2.986000      -3.029200      -1.541200    
 H    4.026000      -1.687800      -2.030200    
 H    4.239700      -2.450800     -0.4394000    
 H   -1.295800      0.5288000      -1.666000    
 H  -0.7804000      -1.319800       2.196900    
 H   0.3141000       2.032200       1.244000    
 H    1.945400       2.456400       1.227300    
 H   -3.214200      -1.341600       2.513500    
 H    3.856100       2.053800       1.795200    
 H    3.636600       2.835000      0.1641000    
 H    5.232100       2.377100      0.7474000    
 H   -5.182700     -0.8347000       1.660000    
 H   -3.321500       2.604700      -1.536100    
 H   -4.756700       2.215400     -0.5322000    
 H   -4.882300       2.241200      -2.304900    


%chk=000056253-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056253

0 1
O -3.918006 -0.272886 -1.706917
O 5.301153 -0.114078 -0.422306
O -5.037806 0.205631 0.926250
N 1.168265 -0.882430 -0.956282
N 1.649388 1.463392 1.751648
C 0.634407 -0.078960 0.081127
C 2.954616 0.074555 0.034593
C 1.741044 0.539983 0.706077
C 2.539485 -0.820480 -0.998498
C -0.805222 0.032085 0.312027
C 3.342895 -1.618258 -1.980898
C -1.731406 -0.104726 -0.762559
C 4.364679 0.380505 0.292824
C -1.338801 0.267245 1.613452
C -3.126846 -0.037724 -0.571387
C -2.731007 0.352576 1.812590
C -3.637217 0.187543 0.741150
C 4.734960 1.314025 1.451527
C -5.073127 0.616801 -1.955728
H 0.601417 -1.500908 -1.535844
H 2.685757 -2.223544 -2.633368
H 3.966624 -0.958434 -2.608433
H 4.052132 -2.286453 -1.461892
H -1.387862 -0.229241 -1.795452
H -0.671524 0.308922 2.480467
H 0.737409 1.857933 1.972193
H 2.466088 1.997518 2.029293
H -3.122755 0.509795 2.827080
H 4.300506 0.965972 2.408013
H 4.381128 2.346131 1.253076
H 5.831711 1.340618 1.544085
H -5.253819 0.303403 1.886637
H -4.736092 1.667797 -2.043591
H -5.822931 0.528579 -1.154002
H -5.485144 0.275012 -2.917353


