%chk=000087216.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087216

0 1
 O    3.611200     -0.6909000     -0.9154000    
 O    3.153700       2.122700       1.274500    
 O    5.386100       1.686900     -0.2128000    
 O    5.008600      -3.051300     -0.3335000    
 N    1.424900     -9.8899998E-02 -0.2083000    
 N  -0.2702000      -1.493100      0.1827000    
 N   0.1903000       1.949200     -0.6345000    
 N   -3.158000     -0.5469000      8.1600003E-02
 N   -2.216400       1.587100     -0.4537000    
 C    3.469400      0.7897000      0.9276000    
 C    2.799800      0.3679000     -0.3715000    
 C    4.934200      0.5954000      0.5887000    
 C    4.905000     -0.6657000     -0.2691000    
 C    5.059100      -1.941800      0.5463000    
 C   0.2865000      0.6449000     -0.3353000    
 C    1.038800      -1.375900      0.1026000    
 C  -0.7530000     -0.2375000     -8.8699996E-02
 C   -2.059300      0.2655000     -0.1527000    
 C   -5.495500      -1.221200      0.3375000    
 C   -6.987500     -0.8313000      0.3188000    
 C   -4.523200     -8.3499998E-02  2.9200001E-02
 C   -1.105000       2.330900     -0.6712000    
 C   -7.239400      0.2942000       1.326000    
 C   -7.460200     -0.3964000      -1.069000    
 H    3.179800      0.1335000       1.756500    
 H    2.767200       1.178400      -1.109600    
 H    5.585000      0.5369000       1.464900    
 H    5.655200     -0.6411000      -1.067700    
 H    4.255100      -2.062100       1.279200    
 H    6.019100      -1.961000       1.070600    
 H    3.457300       2.701400      0.5546000    
 H    4.931500       1.660400      -1.071000    
 H    1.746400      -2.177500      0.2648000    
 H   -5.334300      -2.038000     -0.3786000    
 H   -5.253600      -1.638500       1.324400    
 H   -7.569200      -1.710300      0.6226000    
 H   -4.644300      0.7264000      0.7558000    
 H   -4.727000      0.3230000     -0.9671000    
 H    4.153100      -3.020800     -0.7950000    
 H   -2.979000      -1.521000      0.3002000    
 H   -1.280400       3.375100     -0.9067000    
 H   -6.802800       1.245900       1.006700    
 H   -8.316600      0.4583000       1.443200    
 H   -6.836600      3.9400000E-02   2.311800    
 H   -7.248100      -1.172800      -1.811300    
 H   -8.541900     -0.2235000      -1.066900    
 H   -6.979100      0.5303000      -1.396900    


%chk=000087216-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087216

0 1
O 3.515762 -0.187233 -1.087775
O 3.790076 2.045202 1.800794
O 5.742586 1.630323 -0.046189
O 4.040848 -2.930737 -1.000006
N 1.498976 0.128230 0.224698
N -0.205618 -1.248408 0.913791
N 0.154737 1.910312 -0.871936
N -3.150614 -0.462621 0.329347
N -2.263370 1.465440 -0.731057
C 3.790100 0.750478 1.159558
C 2.819299 0.659334 -0.065492
C 5.173792 0.397168 0.535376
C 4.834845 -0.649605 -0.528398
C 4.687352 -2.090658 -0.000239
C 0.301994 0.738034 -0.192323
C 1.124684 -1.064259 0.877793
C -0.731843 -0.121504 0.250155
C -2.071787 0.283900 -0.045055
C -5.500005 -1.204312 0.487584
C -7.008375 -0.906479 0.250094
C -4.545525 -0.077609 0.045075
C -1.164143 2.192918 -1.098315
C -7.509239 0.301033 1.080699
C -7.344032 -0.725536 -1.250923
H 3.505488 0.023999 1.939750
H 2.647731 1.655085 -0.512643
H 5.908424 0.062414 1.283333
H 5.537689 -0.638561 -1.379805
H 4.125221 -2.102833 0.960680
H 5.681499 -2.535094 0.178199
H 4.450994 2.606752 1.305692
H 5.387271 1.752882 -0.965229
H 1.850381 -1.762357 1.288273
H -5.230242 -2.134037 -0.054865
H -5.345119 -1.403012 1.569052
H -7.556139 -1.804043 0.606879
H -4.776683 0.869081 0.569150
H -4.642094 0.128511 -1.036109
H 3.281582 -2.409064 -1.376734
H -2.963219 -1.325390 0.844933
H -1.370865 3.119941 -1.641599
H -7.066170 1.250147 0.725840
H -8.607495 0.399851 1.000475
H -7.256066 0.186510 2.151583
H -6.981758 -1.581163 -1.851260
H -8.436864 -0.645409 -1.398479
H -6.887366 0.194775 -1.660072


