%chk=000039987.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039987

0 1
 O  -0.6146000     -0.2316000     -0.5606000    
 O   -2.480600      -1.597000     -0.5069000    
 O    2.340100      -1.425700      -2.105900    
 O    1.607400      3.8800001E-02   2.205600    
 N    1.563700     -0.8395000      2.9200001E-02
 C   -2.657900       1.940600     -0.5165000    
 C   -3.897700       1.095500     -0.5017000    
 C   -2.687800      0.6399000      -1.253100    
 C   -2.710200       3.219300      -1.283300    
 C   -1.796200       2.011100      0.7001000    
 C   -4.278400      0.3673000      0.6994000    
 C   -1.931900     -0.5280000     -0.7331000    
 C   -5.008700     -0.7613000      0.7819000    
 C   0.1924000      -1.300300     -6.0699999E-02
 C   -5.316400      -1.393400       2.110900    
 C   -5.572400      -1.480900     -0.4106000    
 C    3.719700     -0.3609000     -0.4803000    
 C    3.507900      5.8100000E-02  0.7699000    
 C    5.012400     -0.2557000      -1.201700    
 C    4.522800      0.7259000       1.622600    
 C    6.155900      9.8700002E-02 -0.2361000    
 C    5.741300       1.162100      0.7917000    
 C    2.475600     -0.9510000     -0.9913000    
 C    2.113500     -0.2322000       1.130400    
 H   -4.740400       1.447000      -1.089800    
 H   -2.757000      0.6715000      -2.336200    
 H   -3.323300       3.135400      -2.187700    
 H   -3.134200       4.020500     -0.6687000    
 H   -1.705300       3.523400      -1.595200    
 H  -0.7681000       2.273600      0.4246000    
 H   -2.160600       2.801900       1.366700    
 H   -1.749000       1.097800       1.300900    
 H   -3.971400      0.8116000       1.644300    
 H   0.1441000      -2.152000     -0.7477000    
 H  -0.1556000      -1.582300      0.9387000    
 H   -6.399100      -1.440100       2.266700    
 H   -4.915300      -2.411500       2.147300    
 H   -4.883500     -0.8363000       2.948400    
 H   -5.316500      -1.002100      -1.360100    
 H   -5.196100      -2.508500     -0.4464000    
 H   -6.664900      -1.517200     -0.3449000    
 H    5.248700      -1.196400      -1.710900    
 H    4.928600      0.5215000      -1.970500    
 H    4.093300       1.602200       2.120600    
 H    4.844200      2.8600000E-02   2.405200    
 H    6.474200     -0.8066000      0.2972000    
 H    7.022200      0.4499000     -0.8082000    
 H    5.505000       2.094800      0.2631000    
 H    6.580800       1.381900       1.461100    


%chk=000039987-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039987

0 1
O -0.778073 -0.368799 -1.569152
O -1.967859 -1.363232 -3.302038
O 2.766027 -0.089893 -2.616526
O 0.585748 -1.793806 1.188142
N 1.383720 -1.079167 -0.942968
C -2.890024 1.884477 -1.448128
C -3.539278 0.747847 -0.639427
C -2.994874 0.480248 -2.109206
C -3.844888 2.925931 -2.040026
C -1.550853 2.482250 -1.023891
C -2.916108 0.114391 0.550452
C -1.908309 -0.483504 -2.405161
C -3.569485 -0.370031 1.649673
C 0.254445 -1.436346 -1.755521
C -2.784679 -1.013168 2.782095
C -5.072567 -0.330650 1.864271
C 3.408861 -0.149074 -0.212851
C 2.778664 -0.655125 0.891825
C 4.753999 0.518351 -0.202020
C 3.322865 -0.599053 2.290117
C 5.468433 0.245085 1.149072
C 4.506336 0.404351 2.356387
C 2.547832 -0.390707 -1.419609
C 1.464388 -1.251756 0.474577
H -4.635386 0.776372 -0.624702
H -3.782161 0.381067 -2.864205
H -4.816147 2.481545 -2.325614
H -4.042932 3.727117 -1.302879
H -3.406517 3.392482 -2.942416
H -1.072100 2.992487 -1.880830
H -1.720679 3.234158 -0.230192
H -0.846993 1.727042 -0.648153
H -1.824775 0.012468 0.527906
H 0.553318 -1.480347 -2.815108
H -0.179842 -2.393598 -1.424373
H -2.896504 -0.437610 3.723651
H -3.162263 -2.034391 2.991263
H -1.710274 -1.093362 2.544141
H -5.624535 0.156287 1.043838
H -5.474526 -1.356890 1.981169
H -5.315773 0.209578 2.801128
H 5.362254 0.166889 -1.056939
H 4.623673 1.608878 -0.359264
H 2.521368 -0.323285 3.001509
H 3.656082 -1.612153 2.595983
H 5.874925 -0.785647 1.143915
H 6.328562 0.930414 1.259144
H 4.107040 1.437859 2.367273
H 5.060564 0.262422 3.302068


