%chk=000174644.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000174644

0 1
 O   -4.603900     -0.8086000      0.6266000    
 O   -3.403400       1.056300       1.183900    
 N   -2.378500     -0.8775000      0.3534000    
 N    2.168000      -2.110000     -0.6081000    
 N    2.988100      0.4719000      0.1802000    
 N  -0.6466000      0.6887000      0.7401000    
 N    1.089600       2.260000       1.095800    
 C   -5.780700     -5.5700000E-02  0.3534000    
 C   -5.593600      0.7372000     -0.9396000    
 C   -6.982700     -0.9952000      0.2684000    
 C   -6.864500       1.485800      -1.327800    
 C   -8.253700     -0.2467000     -0.1197000    
 C   -8.066300      0.5473000      -1.410400    
 C   -3.439500     -9.3000002E-02  0.7618000    
 C    1.232600      -1.197400     -0.1546000    
 C   -1.014800     -0.5421000      0.3266000    
 C    3.567100      -1.890600     -0.3109000    
 C    1.646200      7.3799998E-02  0.2501000    
 C    3.891800     -0.4177000     -0.1065000    
 C  -0.1282000      -1.505400     -0.1289000    
 C   0.6745000      0.9673000      0.6858000    
 C    5.321000      1.0200000E-02 -0.1988000    
 C    6.333700     -0.8762000      0.1565000    
 C    5.630500       1.293000     -0.6414000    
 C    7.667000     -0.4764000      6.8400003E-02
 C    6.963900       1.692800     -0.7296000    
 C    7.982300      0.8081000     -0.3746000    
 H   -5.951400      0.6366000       1.189000    
 H   -5.302900      5.5100001E-02  -1.749600    
 H   -4.777100       1.462100     -0.8579000    
 H   -7.123500      -1.505000       1.229100    
 H   -6.778700      -1.789300     -0.4616000    
 H   -6.719800       1.983700      -2.293300    
 H   -7.065400       2.271600     -0.5893000    
 H   -8.536700      0.4363000      0.6907000    
 H   -9.078500     -0.9580000     -0.2407000    
 H   -8.972200       1.126400      -1.621700    
 H   -7.928200     -0.1475000      -2.248100    
 H   -2.616200      -1.813100      3.2800000E-02
 H    4.174300      -2.297600      -1.125700    
 H    3.817700      -2.425800      0.6120000    
 H    1.862300      -3.038700     -0.8732000    
 H  -0.4755000      -2.482500     -0.4534000    
 H    6.118300      -1.878000      0.5156000    
 H    4.853200       1.995500     -0.9298000    
 H    1.936400       2.641800      0.6926000    
 H   0.3674000       2.901200       1.399600    
 H    8.460100      -1.164200      0.3471000    
 H    7.209600       2.692400      -1.076000    
 H    9.020500       1.119400     -0.4430000    


%chk=000174644-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000174644

0 1
O -4.532112 -0.585969 -0.226974
O -3.412357 1.422080 0.320900
N -2.289407 -0.622947 -0.227105
N 2.334980 -2.157889 -0.492900
N 3.178902 0.463415 0.109375
N -0.514491 0.901113 0.201801
N 1.224827 2.410388 0.612296
C -5.848564 0.103105 -0.066078
C -6.249925 0.790566 -1.383840
C -6.857055 -0.973667 0.357885
C -7.665152 1.408922 -1.252994
C -8.273105 -0.357245 0.490094
C -8.705301 0.347883 -0.818757
C -3.380941 0.220139 -0.007278
C 1.369493 -1.192267 -0.261868
C -0.904961 -0.354841 -0.123204
C 3.764057 -1.962334 -0.186083
C 1.821918 0.124897 0.065209
C 4.107878 -0.467831 -0.034188
C -0.018990 -1.442067 -0.367592
C 0.831136 1.135579 0.290990
C 5.537046 -0.090556 0.003246
C 6.570292 -1.072816 -0.004611
C 5.914867 1.284066 0.055776
C 7.929537 -0.693088 0.038871
C 7.269440 1.659605 0.096485
C 8.287663 0.672599 0.087743
H -5.730394 0.867857 0.726907
H -6.244448 0.034844 -2.194666
H -5.506777 1.567462 -1.639265
H -6.536032 -1.431450 1.311861
H -6.868335 -1.774954 -0.407443
H -7.960850 1.869768 -2.214518
H -7.639384 2.225628 -0.502472
H -8.277124 0.379301 1.319975
H -8.999201 -1.147055 0.761366
H -9.698503 0.818951 -0.687015
H -8.811941 -0.409746 -1.622524
H -2.553974 -1.576174 -0.483252
H 4.373273 -2.399098 -1.002361
H 4.053774 -2.495597 0.750418
H 2.034203 -3.092927 -0.765274
H -0.399002 -2.438495 -0.619254
H 6.325071 -2.139921 -0.034314
H 5.119194 2.034783 0.058599
H 2.221020 2.611993 0.670249
H 0.512975 3.122055 0.755759
H 8.708806 -1.463549 0.035180
H 7.538851 2.721309 0.132065
H 9.342721 0.966476 0.118084


