%chk=000067538.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067538

0 1
 O  -0.5834000     -0.1765000       1.230300    
 O    1.012200      -2.327300      0.4853000    
 O   -2.902600      -1.304300      0.9483000    
 N   -3.862300      0.3720000     -0.3401000    
 C   -3.802300       1.661800      -1.023200    
 C   -5.146600     -0.3129000     -0.4226000    
 C   -2.815600     -0.2166000      0.3702000    
 C   -1.504600      0.5382000      0.4346000    
 C   0.7526000      4.8000002E-03  0.9603000    
 C    3.448300      0.3973000      0.4209000    
 C   -4.215700       2.794800     -0.1069000    
 C   -5.209700      -1.230600      -1.625900    
 C    1.540900      -1.076200      0.5891000    
 C    2.895000     -0.8790000      0.3180000    
 C    1.293500       1.279400       1.065500    
 C    2.647600       1.476500      0.7947000    
 C    4.896000      0.6081000      0.1315000    
 C    5.167700      0.9294000      -1.315400    
 C   0.4845000      -2.704700     -0.7849000    
 C    5.904700      0.1657000      -2.129800    
 H   -2.784400       1.843000      -1.378900    
 H   -4.445100       1.631900      -1.910100    
 H   -5.293700     -0.9087000      0.4855000    
 H   -5.955500      0.4250000     -0.4562000    
 H   -1.123200      0.6482000     -0.5875000    
 H   -1.674400       1.521600      0.8816000    
 H   -5.249400       2.672400      0.2325000    
 H   -3.582100       2.847400      0.7834000    
 H   -4.144300       3.752600     -0.6317000    
 H   -5.086200     -0.6718000      -2.559200    
 H   -4.420800      -1.989200      -1.586600    
 H   -6.175000      -1.744800      -1.662800    
 H    3.514200      -1.724100      2.6600000E-02
 H   0.6827000       2.126800       1.363500    
 H    3.066200       2.476000      0.8791000    
 H    5.466300     -0.2757000      0.4472000    
 H    5.282400       1.430700      0.7474000    
 H    4.746600       1.851200      -1.709900    
 H  -0.3304000      -2.036300      -1.079800    
 H    1.272200      -2.694800      -1.544900    
 H   9.0000004E-02  -3.721200     -0.7034000    
 H    6.353700     -0.7596000      -1.786400    
 H    6.067600      0.4599000      -3.160700    


%chk=000067538-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000067538

0 1
O -0.544397 -0.451981 -0.034519
O 1.543240 -2.335080 0.379466
O -2.911654 -1.597899 -0.440999
N -4.095195 0.404584 -0.372271
C -4.162540 1.883142 -0.327305
C -5.380148 -0.337745 -0.432652
C -2.917907 -0.332150 -0.378611
C -1.607337 0.487830 -0.331305
C 0.785393 0.001898 -0.117332
C 3.537933 0.753004 -0.129593
C -4.341731 2.445089 1.101400
C -5.853424 -0.582586 -1.880871
C 1.797315 -0.989981 0.085048
C 3.151371 -0.594106 0.080146
C 1.161871 1.343786 -0.349242
C 2.526734 1.714342 -0.355348
C 5.014532 1.151920 -0.092866
C 5.905730 0.278809 -0.958800
C 0.512425 -3.070642 -0.395534
C 6.998282 -0.395074 -0.519396
H -3.260096 2.313176 -0.796348
H -5.013419 2.198205 -0.960935
H -5.230229 -1.304696 0.076232
H -6.134540 0.239778 0.133947
H -1.438279 0.975786 -1.316652
H -1.651576 1.277217 0.447010
H -5.256097 2.042112 1.571727
H -3.485622 2.178928 1.746498
H -4.427293 3.546944 1.075386
H -5.988352 0.366488 -2.432206
H -5.116586 -1.201478 -2.420029
H -6.820816 -1.117509 -1.881884
H 3.904860 -1.372947 0.238740
H 0.399726 2.114305 -0.504025
H 2.798668 2.761754 -0.531003
H 5.389430 1.119557 0.949705
H 5.102423 2.205862 -0.427102
H 5.614897 0.206247 -2.018006
H -0.494041 -2.654767 -0.233455
H 0.762659 -3.046883 -1.474112
H 0.580936 -4.103588 -0.020968
H 7.311487 -0.356981 0.531858
H 7.608964 -1.004270 -1.195192


