%chk=000097417.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097417

0 1
 O   -1.360900      -1.959600      0.8956000    
 O   -2.792100      -1.356500     -0.7417000    
 O    1.867200     -0.3825000      -1.412100    
 N   0.4015000     -9.5600002E-02  0.3665000    
 N    3.990600      7.9899997E-02  0.2664000    
 C   -1.451700       1.403200     -0.1760000    
 C  -0.8158000      1.5100000E-02 -0.4048000    
 C  -0.5006000       2.544200     -0.5473000    
 C   -1.980900       1.597000       1.248400    
 C   -1.748600      -1.160700     -0.1289000    
 C    1.650700     -0.2866000     -0.2061000    
 C    2.740700     -0.3980000      0.8400000    
 H   -2.320800       1.474000     -0.8445000    
 H  -0.5504000     -7.5000003E-02  -1.465900    
 H   -1.022000       3.506700     -0.5058000    
 H  -0.1191000       2.417200      -1.565900    
 H   0.3541000       2.602100      0.1346000    
 H   -1.173900       1.569200       1.987700    
 H   -2.482200       2.566700       1.341800    
 H   -2.711200      0.8252000       1.510900    
 H   0.3200000     -9.4400004E-02   1.379100    
 H    2.829400      -1.445000       1.145800    
 H    2.491800      0.2064000       1.717800    
 H   -1.999400      -2.687000       1.054800    
 H    4.264700     -0.5239000     -0.5080000    
 H    4.732100     -6.0000003E-04  0.9611000    


%chk=000097417-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097417

0 1
O -1.535442 -1.878817 1.041997
O -2.817112 -1.335590 -0.817036
O 1.921614 0.160785 -1.276363
N 0.421735 -0.196794 0.469687
N 4.081774 0.086045 0.418475
C -1.470298 1.371722 -0.211637
C -0.773361 -0.032371 -0.363984
C -0.516626 2.493170 -0.676195
C -1.968971 1.617700 1.230543
C -1.804436 -1.129673 -0.117784
C 1.696242 -0.137368 -0.062995
C 2.831931 -0.484743 0.915565
H -2.346180 1.340047 -0.890321
H -0.439186 -0.117239 -1.416260
H -1.033583 3.469553 -0.641438
H -0.158747 2.322500 -1.706573
H 0.371757 2.554058 -0.021899
H -1.123225 1.638415 1.943497
H -2.477749 2.596248 1.292867
H -2.687416 0.845959 1.563890
H 0.291826 -0.503296 1.435620
H 2.842716 -1.600018 1.003331
H 2.573929 -0.090954 1.921485
H -2.251182 -2.559097 1.166885
H 4.045782 0.285708 -0.587062
H 4.937406 -0.374448 0.729204


