%chk=000097369.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097369

0 1
 O   0.3241000       2.607500       1.710600    
 O  -0.9978000       3.949600      0.4454000    
 O    2.044500      0.7164000      -2.131800    
 N   0.9854000       1.031000     -9.2600003E-02
 N   -3.866100      -1.042400      0.5280000    
 N   -5.573200      -1.734200      -1.013700    
 N   -5.605400      -2.440800       1.153000    
 C   -1.283400       1.261100      -1.045200    
 C  -1.0700000E-02   1.961000     -0.5604000    
 C   -1.995800      0.4340000      3.1599998E-02
 C   -3.226900     -0.2651000     -0.5350000    
 C  -0.2868000       2.958500      0.5488000    
 C    1.943900      0.4785000     -0.9311000    
 C    2.883600     -0.4842000     -0.3007000    
 C    3.457700      -1.464300      -1.083400    
 C    3.151600     -0.3675000       1.047300    
 C   -4.945200      -1.687400      0.2110000    
 C    4.339600      -2.368500     -0.4913000    
 C    4.033500      -1.271500       1.639400    
 C    4.627500      -2.272000      0.8701000    
 H   -1.029700      0.6048000      -1.887500    
 H   -1.981500       2.015100      -1.430800    
 H   0.4259000       2.530200      -1.390000    
 H   -1.313700     -0.3192000      0.4441000    
 H   -2.296300       1.078000      0.8669000    
 H   -2.922600     -0.9248000      -1.356700    
 H   -3.920700      0.4890000     -0.9262000    
 H   0.9070000      0.7212000      0.8703000    
 H    3.240200      -1.556200      -2.143200    
 H    2.738900      0.4167000       1.673200    
 H   0.1307000       3.243500       2.431900    
 H    4.801500      -3.148100      -1.090000    
 H    4.264400      -1.191900       2.697700    
 H    5.315400      -2.974900       1.330800    
 H   -5.219300      -1.236100      -1.822600    
 H   -6.419700      -2.277000      -1.146400    
 H   -6.450200      -2.953400      0.9251000    
 H   -5.262900      -2.505800       2.105400    


%chk=000097369-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097369

0 1
O 0.110912 2.726820 1.813367
O -1.058686 4.056048 0.309773
O 1.749317 0.504086 -2.119318
N 1.009271 1.051795 0.006656
N -3.947500 -0.984242 0.499483
N -5.589457 -1.827761 -1.070919
N -5.677713 -2.378333 1.223656
C -1.277724 1.300107 -1.052506
C 0.014450 1.996869 -0.513789
C -2.046849 0.494167 0.011909
C -3.260700 -0.249140 -0.579082
C -0.366358 3.041738 0.527683
C 1.845553 0.366075 -0.854851
C 2.864994 -0.552824 -0.229320
C 3.497988 -1.491655 -1.083488
C 3.228853 -0.510723 1.142767
C -5.016672 -1.689115 0.203632
C 4.461991 -2.386231 -0.575317
C 4.197172 -1.404220 1.650583
C 4.812256 -2.347718 0.795141
H -0.952419 0.642996 -1.880427
H -1.924655 2.087843 -1.484839
H 0.470586 2.529740 -1.370688
H -1.384926 -0.254793 0.485789
H -2.416177 1.153644 0.821462
H -2.896504 -0.930411 -1.388283
H -3.930465 0.499870 -1.071007
H 1.052504 0.920504 1.017378
H 3.217134 -1.490858 -2.141822
H 2.790697 0.230579 1.822344
H -0.197655 3.417175 2.460017
H 4.940789 -3.110257 -1.243655
H 4.476375 -1.359950 2.709053
H 5.562334 -3.040817 1.192196
H -5.155831 -1.359867 -1.860175
H -6.428834 -2.374913 -1.240252
H -6.485681 -2.970426 1.064112
H -5.280868 -2.295001 2.154739


