%chk=000023874.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023874

0 1
 O  -0.4863000       2.252900      0.2605000    
 O  -0.4434000      -2.281200      0.2410000    
 O    3.511500      2.6400000E-02 -0.5680000    
 N    1.571800       1.199900     -5.1899999E-02
 N    1.595200      -1.187800     -5.9200000E-02
 C  -0.2428000     -1.5300000E-02   1.019000    
 C   -1.763700     -3.0500000E-02   1.167700    
 C   -2.436400      2.9500000E-02 -0.1913000    
 C   0.2323000       1.258800      0.3583000    
 C   0.2566000      -1.275000      0.3487000    
 C   -3.955500     -1.8999999E-02 -3.4400001E-02
 C    2.322600      1.3700000E-02 -0.2309000    
 C   -4.656000      7.9999998E-04  -1.383500    
 C    2.223600       2.449000     -0.4307000    
 C    2.270500      -2.422200     -0.4454000    
 H   0.1910000     -1.6700000E-02   2.029200    
 H   -2.086400      0.8234000       1.777000    
 H   -2.080800     -0.9331000       1.705000    
 H   -2.182100      0.9409000     -0.7400000    
 H   -2.128100     -0.8083000     -0.8255000    
 H   -4.297300      0.8360000      0.5606000    
 H   -4.247500     -0.9279000      0.5047000    
 H   -4.362800     -0.8612000      -1.991200    
 H   -4.412600      0.9122000      -1.939000    
 H   -5.741500     -3.3700000E-02  -1.247200    
 H    3.226900       2.486400      4.9999999E-03
 H    1.655900       3.321800     -9.8200001E-02
 H    2.317600       2.470800      -1.521000    
 H    1.722300      -3.307300     -0.1126000    
 H    3.276800      -2.440700     -1.5400000E-02
 H    2.358800      -2.438500      -1.536400    


%chk=000023874-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023874

0 1
O 0.091940 2.400920 1.549283
O 0.123301 -2.425378 1.502350
O 2.574358 0.034321 -1.612678
N 1.323495 1.223011 -0.043415
N 1.338598 -1.200788 -0.067501
C -0.166304 -0.014278 1.551704
C -1.721638 -0.021157 1.336995
C -2.160696 -0.008043 -0.142629
C 0.420851 1.295388 1.040941
C 0.436394 -1.306082 1.014636
C -3.700235 -0.018940 -0.284747
C 1.781225 0.019665 -0.634878
C -4.166104 -0.001477 -1.756224
C 1.867419 2.478399 -0.618091
C 1.899079 -2.437584 -0.666171
H -0.007772 -0.024367 2.647189
H -2.125061 0.865898 1.859409
H -2.114609 -0.923593 1.840715
H -1.758458 0.892237 -0.651071
H -1.743841 -0.889579 -0.671777
H -4.119868 0.857755 0.248921
H -4.105063 -0.917451 0.223396
H -3.785447 -0.883896 -2.304325
H -3.799389 0.902307 -2.278385
H -5.268830 -0.009079 -1.829202
H 2.967453 2.473184 -0.562139
H 1.455152 3.311253 -0.030933
H 1.572290 2.568249 -1.675811
H 1.497848 -3.286996 -0.095314
H 2.998951 -2.418897 -0.609849
H 1.605158 -2.510902 -1.725501


