%chk=000125734.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125734

0 1
 O   -2.088200      0.5041000     -0.9846000    
 O   -1.175300      -2.247200       1.130700    
 O   -3.450500      -2.171600     -0.3740000    
 O   -3.880300       2.566900     -0.3618000    
 N    1.431100     -0.2492000     -0.2246000    
 N   0.3611000       1.605300      0.2169000    
 N    1.717800       1.847400      0.3706000    
 N    4.148700     -0.7890000     -0.1982000    
 N    4.677400       1.399000      0.4386000    
 C   -1.717400     -0.9769000      0.8277000    
 C   -3.184900      -1.038100      0.4517000    
 C   -1.082500     -0.3681000     -0.4190000    
 C   -3.365300      0.2343000     -0.3655000    
 C   0.2113000      0.3458000     -0.1395000    
 C   -3.747400       1.438400      0.4845000    
 C    2.335400      0.7227000      0.1006000    
 C    1.863600      -1.515900     -0.5450000    
 C    3.755500      0.4326000      0.1122000    
 C    3.190000      -1.740700     -0.5214000    
 H   -1.587200     -0.3218000       1.698200    
 H   -3.851500      -1.103300       1.316900    
 H  -0.9046000      -1.145800      -1.172300    
 H   -4.088900      0.1051000      -1.178300    
 H   -2.973800       1.669300       1.223700    
 H   -4.699400       1.269200      0.9971000    
 H  -0.2432000      -2.119000       1.374700    
 H   -3.208400      -2.962800      0.1370000    
 H    1.138500      -2.277100     -0.8005000    
 H   -4.127500       3.320200      0.2013000    
 H    3.576800      -2.724000     -0.7665000    
 H    4.398500       2.344200      0.6803000    
 H    5.670300       1.192100      0.4456000    


%chk=000125734-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125734

0 1
O -1.527873 -0.057292 -0.649202
O -1.809796 -1.604466 2.683914
O -3.730811 -2.085792 0.853422
O -3.496888 1.392076 -2.264574
N 1.442352 -0.153408 -0.144939
N 0.966685 -0.744803 1.973314
N 2.339799 -0.431817 1.937310
N 3.870027 0.664821 -1.300552
N 4.967297 0.431672 0.780073
C -1.901355 -0.625201 1.617627
C -3.289710 -0.694606 0.939603
C -0.971299 -0.912179 0.413863
C -3.025744 -0.173777 -0.503565
C 0.446315 -0.573825 0.724762
C -3.649011 1.178832 -0.820788
C 2.606649 -0.073012 0.649655
C 1.460714 0.180524 -1.508695
C 3.833842 0.352734 0.013870
C 2.685921 0.573885 -2.024988
H -1.700762 0.401146 1.984886
H -4.039717 -0.086130 1.482486
H -1.069714 -1.984454 0.135065
H -3.390494 -0.932246 -1.220675
H -3.142204 1.974701 -0.234652
H -4.723781 1.144420 -0.537905
H -0.864587 -1.586488 3.007158
H -3.428465 -2.532199 1.691633
H 0.517495 0.135324 -2.051318
H -3.802934 2.303497 -2.499148
H 2.760040 0.844704 -3.081144
H 4.930946 0.191623 1.769125
H 5.836764 0.727838 0.341478


