%chk=000097285.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097285

0 1
 O   -6.476800      0.4887000      0.7770000    
 O    5.944500       1.013500     -0.5268000    
 N   -6.132200      -1.507300     -0.3788000    
 N    6.973000      -1.038600     -0.1152000    
 N   -4.981800      0.3814000     -0.9972000    
 N    5.036800     -0.4916000      0.9916000    
 C   -7.388700      -2.146900     -0.1204000    
 C   -6.185000      -2.490300      0.6633000    
 C    7.445900      -1.422200      -1.413000    
 C    8.320400     -0.6996000     -0.4676000    
 C  -0.9356000       1.417000      0.4237000    
 C   0.2840000      0.6040000     -1.4100000E-02
 C   -2.122900       1.187400     -0.5137000    
 C    1.481100      0.8587000      0.9034000    
 C   -3.352000       1.978800     -5.6800000E-02
 C    2.690000      2.1299999E-02  0.4861000    
 C   -5.918300     -0.1515000     -0.1133000    
 C    5.982300     -6.7800000E-02  5.9300002E-02
 C   -4.558700       1.761800     -0.9640000    
 C    3.894100      0.3032000       1.376500    
 H   -8.148700      -1.522300      0.3261000    
 H   -7.703400      -2.805800     -0.9163000    
 H   -5.642100      -3.393100      0.4257000    
 H   -6.081000      -2.105300       1.667400    
 H    7.561800      -2.490000      -1.526200    
 H    7.007200     -0.8860000      -2.242000    
 H    8.512600      0.3518000     -0.6248000    
 H    9.059800      -1.252800      9.2500001E-02
 H   -1.214000       1.136800       1.447000    
 H  -0.6816000       2.483800      0.4380000    
 H   0.5507000      0.8661000      -1.045200    
 H   3.4400001E-02 -0.4640000     -6.0999999E-03
 H   -1.851800       1.486200      -1.533500    
 H   -2.353800      0.1160000     -0.5405000    
 H    1.209900      0.6191000       1.938900    
 H    1.742800       1.923400      0.8758000    
 H   -3.609400       1.688800      0.9694000    
 H   -3.111000       3.048400     -3.8100000E-02
 H    2.946100      0.2364000     -0.5589000    
 H    2.438000      -1.045500      0.5334000    
 H   -4.322500       2.054100      -1.992600    
 H   -5.393900       2.381800     -0.6206000    
 H    3.666900      5.5700000E-02   2.418800    
 H    4.165700       1.363500       1.329300    
 H   -4.575600     -0.2346000      -1.695000    
 H    5.153200      -1.409200       1.410800    


%chk=000097285-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097285

0 1
O -6.849442 0.613883 0.755896
O 6.325616 1.102921 -0.507851
N -6.436956 -1.608218 -0.153602
N 7.276041 -1.126884 -0.264748
N -5.142896 0.212999 -0.800331
N 5.266351 -0.560938 0.758690
C -7.918178 -1.959268 -0.339230
C -7.242634 -2.219099 0.984048
C 8.168411 -0.877235 -1.472015
C 8.719662 -0.641436 -0.087978
C -0.878552 1.294790 0.368335
C 0.342674 0.453558 -0.065741
C -2.149067 0.996885 -0.459722
C 1.615996 0.760717 0.754271
C -3.371121 1.826709 -0.007422
C 2.832089 -0.086569 0.318717
C -6.192621 -0.162350 0.000397
C 6.271325 -0.072591 -0.038480
C -4.639388 1.594156 -0.862910
C 4.095670 0.236969 1.150127
H -8.620106 -1.118190 -0.377512
H -8.097546 -2.776242 -1.043838
H -6.926399 -3.231337 1.251198
H -7.499253 -1.546907 1.810323
H 8.428421 -1.787001 -2.020410
H 7.937212 0.011098 -2.070360
H 8.851389 0.402501 0.219257
H 9.381848 -1.374746 0.380932
H -1.090768 1.108786 1.441780
H -0.630900 2.373454 0.282648
H 0.549192 0.632791 -1.141384
H 0.097051 -0.624945 0.028857
H -1.941444 1.199485 -1.532143
H -2.383837 -0.084931 -0.380382
H 1.407768 0.585888 1.830970
H 1.864292 1.837759 0.654806
H -3.609663 1.602937 1.050611
H -3.120851 2.906282 -0.057466
H 3.055686 0.095607 -0.750370
H 2.587439 -1.164343 0.417339
H -4.431359 1.846004 -1.921394
H -5.455453 2.246441 -0.506547
H 3.891936 0.072159 2.226480
H 4.370282 1.297846 1.013538
H -4.682650 -0.538021 -1.317324
H 5.335132 -1.548072 1.013240


