%chk=000062545.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062545

0 1
 O    1.323900       1.315800       1.554400    
 O   -3.787100      -1.545900     -0.5652000    
 N    2.240200     -0.4294000      0.2363000    
 N    1.829200      -1.657800     -0.2346000    
 N  -0.9961000     -9.8200001E-02  0.3331000    
 N   -2.034100     -4.8000000E-02   1.033300    
 C   0.1078000     -0.7265000       1.036800    
 C   0.6263000      -1.850600      0.2058000    
 C    1.271100      0.2216000       1.018100    
 C    3.501000      4.0600002E-02 -9.4800003E-02
 C  -0.1736000      -3.076100     -7.2099999E-02
 C    3.931000       1.292400      0.3609000    
 C    4.358000     -0.7314000     -0.8878000    
 C    5.200100       1.765600      2.8000001E-02
 C    5.627300     -0.2581000      -1.220400    
 C   -3.073100      0.5670000      0.3148000    
 C    6.048300      0.9904000     -0.7625000    
 C   -3.932700     -0.1941000     -0.4731000    
 C   -3.232700       1.947700      0.3984000    
 C   -4.959000      0.4300000      -1.182300    
 C   -4.259000       2.571800     -0.3109000    
 C   -5.122100       1.813000      -1.101200    
 C   -4.494800      -2.339700      0.3849000    
 H  -0.1075000      -1.061800       2.056400    
 H  -0.5260000      -3.501900      0.8708000    
 H   0.4356000      -3.817100     -0.5963000    
 H   -1.034800      -2.817200     -0.6930000    
 H    3.333800       1.950500      0.9768000    
 H    4.068200      -1.709100      -1.263900    
 H    5.529300       2.737600      0.3840000    
 H    6.288300     -0.8614000      -1.835900    
 H    7.036600       1.358800      -1.021600    
 H   -2.565400       2.547400       1.011800    
 H   -5.634700     -0.1546000      -1.800900    
 H   -4.386000       3.648500     -0.2479000    
 H   -5.921000       2.298900      -1.653600    
 H   -5.574200      -2.192100      0.2794000    
 H   -4.179800      -2.095800       1.404200    
 H   -4.264900      -3.391000      0.1909000    


%chk=000062545-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000062545

0 1
O 0.618622 0.061316 1.589532
O -4.395017 -0.211766 2.005991
N 2.135971 -0.624542 -0.134933
N 2.071451 -1.405551 -1.347075
N -1.232301 -0.587217 -0.824681
N -2.205732 -0.633562 0.043682
C -0.074260 -1.396954 -0.348489
C 0.831753 -1.835248 -1.482042
C 0.897783 -0.546219 0.524678
C 3.392229 -0.045601 0.228376
C 0.390732 -2.640264 -2.661907
C 3.502235 0.773123 1.383747
C 4.530377 -0.300779 -0.580251
C 4.755925 1.328654 1.716826
C 5.772973 0.264695 -0.229052
C -3.364518 0.126039 -0.289330
C 5.896298 1.081334 0.919138
C -4.399561 0.247957 0.699276
C -3.555498 0.731795 -1.571221
C -5.602446 0.932655 0.357821
C -4.738573 1.406580 -1.887440
C -5.772260 1.500160 -0.911780
C -3.210849 -0.793934 2.670108
H -0.421380 -2.246780 0.275378
H 0.001205 -3.627705 -2.349347
H 1.225433 -2.792126 -3.364362
H -0.433828 -2.118075 -3.182805
H 2.623481 0.965575 2.002606
H 4.425167 -0.930620 -1.465925
H 4.836447 1.960452 2.608351
H 6.648180 0.065176 -0.857335
H 6.864640 1.517506 1.186797
H -2.743405 0.632032 -2.298277
H -6.375954 1.005879 1.127784
H -4.873781 1.854708 -2.877052
H -6.705802 2.022163 -1.148603
H -2.318530 -0.161952 2.528150
H -2.997228 -1.799273 2.273682
H -3.502584 -0.839830 3.731086


