%chk=000010806.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010806

0 1
 O    2.625600     -0.6721000      0.5653000    
 O    3.265100       1.751800       1.568500    
 O    3.483100     -0.4151000      -1.574500    
 N   -1.741600      0.5051000     -0.5484000    
 N   -2.364600      0.4186000      0.5247000    
 C    1.777800      0.4048000      0.3339000    
 C  -0.5226000       1.126700     -0.4327000    
 C   0.5584000      0.1970000     -0.1858000    
 C    2.358000       1.714100      0.7367000    
 C  -0.4023000       2.454000     -0.5806000    
 C    1.953400       2.969800      6.7199998E-02
 C   0.7895000       3.254000     -0.5210000    
 C   -3.591500     -0.2292000      0.2986000    
 C   -3.670400      -1.614100      0.4053000    
 C   -4.717100      0.5194000     -3.0500000E-02
 C   -4.887500      -2.257300      0.1803000    
 C   -5.934300     -0.1239000     -0.2554000    
 C    3.433400     -0.9806000     -0.4906000    
 C    4.287800      -2.145500     -0.1158000    
 C   -6.019300      -1.512200     -0.1500000    
 C    4.159100      -2.775400       1.237500    
 C    5.159800      -2.590000      -1.032800    
 H   0.3102000     -0.8404000     -0.4193000    
 H   -1.303400       3.029900     -0.7907000    
 H    2.712500       3.749500      8.9199997E-02
 H   0.6795000       4.247000     -0.9541000    
 H   -2.793600      -2.202100      0.6629000    
 H   -4.659600       1.601300     -0.1140000    
 H   -4.953900      -3.338200      0.2624000    
 H   -6.815700      0.4562000     -0.5124000    
 H   -6.967000      -2.013000     -0.3251000    
 H    4.848900      -3.616900       1.364000    
 H    4.382700      -2.047000       2.024000    
 H    3.144300      -3.157400       1.389300    
 H    5.809300      -3.433400     -0.8200000    
 H    5.258900      -2.138700      -2.014400    


%chk=000010806-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000010806

0 1
O 2.702189 -1.113386 -0.320323
O 3.932409 1.032969 0.652864
O 3.822029 -0.069286 -2.105802
N -1.837125 -0.046509 -0.027353
N -2.887648 0.503736 0.521989
C 1.886368 -0.032241 0.026770
C -0.580620 0.596734 0.281809
C 0.523398 -0.246559 -0.086073
C 2.653111 1.129733 0.573077
C -0.533209 1.901333 0.796470
C 1.978966 2.346049 1.016640
C 0.626806 2.669064 1.107513
C -4.137003 -0.094552 0.166830
C -5.274474 0.471053 0.803435
C -4.292449 -1.173490 -0.751830
C -6.561298 -0.035394 0.528479
C -5.579817 -1.670934 -1.020111
C 3.885158 -0.855661 -1.146974
C 4.997099 -1.773026 -0.760793
C -6.716314 -1.106389 -0.383186
C 4.928099 -2.475440 0.576307
C 6.031271 -1.892324 -1.639692
H 0.228875 -1.209323 -0.521547
H -1.510408 2.366314 0.976447
H 2.697113 3.108170 1.347599
H 0.419439 3.676709 1.493395
H -5.119878 1.298694 1.503354
H -3.402409 -1.592674 -1.230623
H -7.437958 0.399796 1.019399
H -5.708498 -2.499002 -1.725716
H -7.715230 -1.501197 -0.599220
H 5.830117 -3.087602 0.744583
H 4.844405 -1.731020 1.388394
H 4.037874 -3.125660 0.642108
H 6.893094 -2.531695 -1.420655
H 6.029417 -1.340293 -2.585864


