%chk=000115321.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115321

0 1
 O    2.369600      0.8402000     -4.2700000E-02
 O   0.8292000      -2.237400       1.206700    
 O    3.033200      -3.209500     -0.4289000    
 O    5.269500      -1.399400     -0.3400000    
 O   0.1702000      0.2857000      -1.638700    
 O    4.316500       2.763800     -0.2042000    
 O   -3.241500       2.676500      0.3761000    
 O   0.2102000       1.132100       2.932500    
 N   0.1902000      0.5567000      0.6709000    
 N   -1.559700       1.797200       1.654200    
 C    1.525800      2.1199999E-02  0.7615000    
 C    1.569600      -1.431900      0.2913000    
 C    3.010500      -1.942500      0.2320000    
 C    3.923000     -0.9657000     -0.5115000    
 C    3.745100      0.4563000      3.3000000E-02
 C   -1.932100      0.8591000     -0.5803000    
 C  -0.4236000      0.5604000     -0.5930000    
 C   -2.281700       1.462300      -1.963500    
 C    4.544400       1.483000     -0.7632000    
 C   -2.311400       1.879200      0.4958000    
 C  -0.3485000       1.138000       1.832500    
 C   -2.771500     -0.4234000     -0.3782000    
 C   -1.465800       2.707400      -2.236500    
 C   -4.042600     -0.3308000      0.1743000    
 C   -2.245200      -1.653300     -0.7517000    
 C   -4.800100      -1.487700      0.3565000    
 C   -3.002900      -2.810200     -0.5695000    
 C   -4.280300      -2.727300     -1.5400000E-02
 H    1.880900      7.3299997E-02   1.797600    
 H    1.129100      -1.591600     -0.6960000    
 H    3.392300      -2.123800       1.244800    
 H    3.698300      -1.001600      -1.584300    
 H    4.066600      0.5177000       1.081600    
 H   -3.348400       1.717200      -2.019000    
 H   -2.104700      0.7350000      -2.766900    
 H    4.226400       1.513500      -1.810600    
 H    5.617500       1.274800     -0.7261000    
 H   -1.886100       2.349200       2.442600    
 H  -7.4900001E-02  -1.881600       1.243800    
 H    2.429000      -3.799500      5.3500000E-02
 H    5.488300      -1.334400      0.6053000    
 H   -1.603600       3.481700      -1.476700    
 H  -0.3941000       2.520200      -2.336700    
 H   -1.789600       3.143600      -3.188800    
 H   -4.500800      0.6094000      0.4573000    
 H   -1.267500      -1.760700      -1.206300    
 H    3.359800       2.934800     -0.2409000    
 H   -5.797100      -1.423300      0.7827000    
 H   -2.600600      -3.775200     -0.8638000    
 H   -4.871100      -3.627900      0.1242000    


%chk=000115321-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115321

0 1
O 2.486124 0.896328 0.023814
O 0.584287 -2.291063 0.730640
O 3.107636 -3.259132 -0.276676
O 5.341422 -1.507938 0.129861
O 0.037996 0.337867 -1.811565
O 4.631028 2.738412 0.271102
O -3.438797 2.765368 0.323981
O 0.337576 1.538818 2.693865
N 0.154637 0.709485 0.493285
N -1.514788 2.141259 1.435950
C 1.463116 0.047639 0.647843
C 1.520144 -1.383795 0.053064
C 2.921599 -1.942952 0.339532
C 4.011170 -1.031438 -0.245674
C 3.861240 0.394263 0.318658
C -2.048312 1.006724 -0.711185
C -0.530392 0.705370 -0.755183
C -2.559206 1.477757 -2.108141
C 4.803298 1.413122 -0.323717
C -2.403595 2.053937 0.354022
C -0.300969 1.455574 1.618236
C -2.721530 -0.355970 -0.333211
C -1.931963 2.796285 -2.606391
C -3.745196 -0.444192 0.642003
C -2.328337 -1.535082 -1.024715
C -4.350952 -1.688277 0.932776
C -2.937470 -2.775603 -0.731673
C -3.947760 -2.858993 0.254362
H 1.641217 -0.012714 1.741335
H 1.345974 -1.355191 -1.036760
H 3.056758 -2.018667 1.441335
H 3.895394 -1.015232 -1.351355
H 4.013696 0.380374 1.418871
H -3.655509 1.586835 -2.029841
H -2.350586 0.668404 -2.828886
H 4.623318 1.436188 -1.419883
H 5.846185 1.118893 -0.131973
H -1.778088 2.764048 2.207447
H -0.333234 -2.173566 0.368734
H 2.392058 -3.853363 0.067041
H 5.378924 -2.474639 -0.092095
H -2.163953 3.637961 -1.930172
H -0.836595 2.708970 -2.712613
H -2.342127 3.050345 -3.599855
H -4.093525 0.451666 1.165815
H -1.569547 -1.479970 -1.814341
H 3.664279 2.957474 0.225775
H -5.141577 -1.737658 1.689256
H -2.627689 -3.672134 -1.279837
H -4.417576 -3.820998 0.484439


