%chk=000080192.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080192

0 1
 O   -3.240100       1.279300      0.2883000    
 O   -2.396900     -3.1800002E-02  -1.416100    
 N   -2.171700       2.148400      6.6200003E-02
 N    3.150800      0.4956000      0.6014000    
 N    3.478600     -0.2170000     -0.3763000    
 C  -0.8405000       1.734600      0.2001000    
 C  -0.5337000      0.5404000      0.8631000    
 C   0.1981000       2.511000     -0.3278000    
 C    1.821100      0.9078000      0.4679000    
 C   0.7922000      0.1285000      0.9966000    
 C    1.524100       2.099000     -0.1943000    
 C   -2.557600       3.547000     -2.2000000E-03
 C   -4.378100     -0.6822000     -0.2614000    
 C   -3.244000      0.1846000     -0.5394000    
 C   -4.946300      -1.437700      -1.287100    
 C   -4.897400     -0.7584000       1.031000    
 C   -6.033900      -2.269400      -1.020500    
 C   -5.985000      -1.590200       1.297500    
 C    4.814900     -0.6312000     -0.2426000    
 C   -6.553300      -2.345600      0.2717000    
 C    5.106000      -1.820200      0.4188000    
 C    5.836800      0.1507000     -0.7722000    
 C    6.432300      -2.231300      0.5524000    
 C    7.163100     -0.2604000     -0.6387000    
 C    7.460700      -1.451500      2.3600001E-02
 H   -1.305800     -7.7900000E-02   1.313100    
 H   1.3000000E-03   3.439400     -0.8565000    
 H    1.014400     -0.7977000       1.520300    
 H    2.319100       2.712200     -0.6108000    
 H   -3.647800       3.653800      2.8700000E-02
 H   -2.216900       4.003400     -0.9369000    
 H   -2.145600       4.106900      0.8441000    
 H   -4.555600      -1.388000      -2.300200    
 H   -4.467400     -0.1917000       1.852700    
 H   -6.476800      -2.857300      -1.819200    
 H   -6.387800      -1.652300       2.304300    
 H   -7.399700      -2.993700      0.4794000    
 H    4.310800      -2.434200      0.8332000    
 H    5.613700       1.079600      -1.290100    
 H    6.664000      -3.158700       1.067900    
 H    7.964000      0.3466000      -1.050400    
 H    8.493300      -1.771600      0.1275000    


%chk=000080192-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080192

0 1
O -3.032183 0.990308 -0.038272
O -4.388667 1.150461 -1.963170
N -2.133019 1.981161 -0.677542
N 3.364617 0.738794 0.007115
N 3.712256 -0.523833 0.107054
C -0.782808 1.648769 -0.436076
C -0.381994 0.278763 -0.332966
C 0.212740 2.669250 -0.377659
C 1.966782 0.961546 -0.136407
C 0.966624 -0.056604 -0.182330
C 1.565732 2.319643 -0.238645
C -2.648815 3.349513 -0.511246
C -4.935662 -0.453551 -0.195548
C -4.143276 0.615185 -0.864963
C -6.085743 -0.936890 -0.874936
C -4.578098 -0.993337 1.069230
C -6.870727 -1.953231 -0.294800
C -5.369444 -2.009405 1.644168
C 5.122299 -0.739876 0.246635
C -6.514529 -2.490744 0.965543
C 5.517513 -2.100597 0.346163
C 6.108062 0.288393 0.288157
C 6.880771 -2.435992 0.484202
C 7.465781 -0.054855 0.426639
C 7.859219 -1.414730 0.524781
H -1.144499 -0.502982 -0.372143
H -0.063327 3.725076 -0.439842
H 1.282176 -1.101332 -0.103526
H 2.341754 3.090986 -0.195188
H -3.708241 3.360719 -0.805259
H -2.107983 4.007637 -1.211325
H -2.535313 3.730964 0.523880
H -6.341175 -0.506923 -1.849057
H -3.693205 -0.615555 1.588557
H -7.756105 -2.326253 -0.820274
H -5.095231 -2.426363 2.618987
H -7.125615 -3.280676 1.416150
H 4.738044 -2.869092 0.311108
H 5.782777 1.330247 0.209708
H 7.180440 -3.487047 0.559595
H 8.226542 0.733647 0.458715
H 8.918933 -1.672398 0.631888


