%chk=000096565.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096565

0 1
 O    1.589600     -0.1818000     -0.9925000    
 O    3.761300       1.667600      0.1191000    
 O    2.373300      -2.842600     -0.5931000    
 O   -1.135000       2.766300     -0.3872000    
 O   -4.329000     -0.4773000      0.2277000    
 N  -0.4785000      0.5510000     -0.1795000    
 N  -0.8196000     -0.7631000     -6.0000003E-04
 N   -2.750000       1.190200     -8.3899997E-02
 C    3.007200      0.6224000      0.7293000    
 C    1.603100       1.105100       1.010600    
 C    2.790000     -0.5087000     -0.2661000    
 C   0.9075000      0.8884000     -0.3234000    
 C    2.576900      -1.858100      0.4075000    
 C   -1.428300       1.578400     -0.2275000    
 C   -2.060000      -1.097700      0.1322000    
 C   -3.175100     -0.1009000      9.8700002E-02
 C   -2.433400      -2.539100      0.3286000    
 H    3.546400      0.3083000       1.628000    
 H    1.148500      0.4845000       1.792600    
 H    1.543100       2.149800       1.331100    
 H    3.599600     -0.5776000      -1.001200    
 H    1.018900       1.778000     -0.9544000    
 H    1.699300      -1.862300       1.061400    
 H    3.453200      -2.145400      0.9961000    
 H    3.827600       2.392700      0.7637000    
 H    1.593200      -2.577300      -1.109800    
 H   -3.457500       1.918500     -0.1161000    
 H   -3.085700      -2.863400     -0.4867000    
 H   -2.955600      -2.656000       1.282000    
 H   -1.538200      -3.167500      0.3365000    


%chk=000096565-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096565

0 1
O 1.623908 0.186418 -1.055653
O 3.914345 1.557163 0.464735
O 2.048434 -2.573645 -1.269394
O -1.246417 2.694005 -1.105958
O -4.361231 -0.678496 -0.170414
N -0.524292 0.688211 -0.079676
N -0.783399 -0.569644 0.446962
N -2.793944 0.998812 -0.629837
C 3.034482 0.456740 0.884949
C 1.611707 0.941913 1.246111
C 2.806551 -0.414182 -0.361401
C 0.904735 1.073672 -0.122152
C 2.491183 -1.889949 -0.056030
C -1.497399 1.552422 -0.646192
C -2.022400 -1.040625 0.430310
C -3.169034 -0.270648 -0.132084
C -2.292738 -2.405969 0.996211
H 3.494927 -0.117216 1.715356
H 1.094935 0.178469 1.853062
H 1.615639 1.897068 1.797012
H 3.649853 -0.325891 -1.066107
H 0.924470 2.094866 -0.533280
H 1.716170 -1.958757 0.736909
H 3.403281 -2.417470 0.272778
H 4.039368 2.185224 1.220777
H 1.370484 -1.983010 -1.693805
H -3.532754 1.587825 -1.030176
H -2.764307 -3.051422 0.233568
H -3.008525 -2.344852 1.836189
H -1.355232 -2.868632 1.340331


