%chk=000069158.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000069158

0 1
 O  -0.7495000       2.248700      0.2588000    
 O    3.109400      -2.813200      0.4411000    
 O    1.129000      -2.416300     -0.6014000    
 N   0.2421000      0.1288000      9.1700003E-02
 N   -2.339900      0.4833000      -2.213600    
 C    1.625900      0.4303000      6.1900001E-02
 C   -2.160000      0.3994000      0.2208000    
 C    2.561800     -0.5867000     -3.2699998E-02
 C  -0.8390000       1.014200      0.1849000    
 C   -2.875600      0.1481000     -0.9499000    
 C    2.010800       1.760000      0.1314000    
 C   -2.707000      6.1099999E-02   1.458700    
 C    3.919100     -0.2659000     -5.9000000E-02
 C   -4.137900     -0.4417000     -0.8827000    
 C    3.368000       2.080600      0.1051000    
 C    4.322200       1.067700      9.9999998E-03
 C   -3.969500     -0.5284000       1.525700    
 C   -4.684800     -0.7798000      0.3552000    
 C    2.175100      -1.990200     -0.1060000    
 H   5.9000002E-03 -0.8592000      4.5100000E-02
 H    1.343300       2.604300      0.2059000    
 H   -2.159600      0.2518000       2.378300    
 H    4.687300      -1.029800     -0.1462000    
 H   -4.706400     -0.6433000      -1.787200    
 H    3.683600       3.118700      0.1578000    
 H    5.378800       1.318000     -1.3700000E-02
 H   -4.395300     -0.7917000       2.489500    
 H   -5.667700      -1.238900      0.4076000    
 H   -1.425700      0.9076000      -2.290200    
 H   -2.873100      0.2923000      -3.051700    
 H    2.842300      -3.755600      0.3873000    


%chk=000069158-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000069158

0 1
O -0.626869 1.859711 -1.119916
O 3.278569 -2.502570 1.748928
O 1.035286 -2.168900 1.330856
N 0.335280 0.042474 0.001746
N -3.212155 1.970801 -1.481256
C 1.696662 0.388353 -0.052020
C -2.101732 0.104216 -0.304241
C 2.660278 -0.505634 0.553257
C -0.770012 0.736349 -0.507762
C -3.285955 0.766173 -0.814681
C 2.173123 1.578027 -0.677143
C -2.265904 -1.139946 0.379219
C 4.046159 -0.182926 0.510100
C -4.562529 0.145976 -0.617153
C 3.548989 1.865302 -0.701283
C 4.497205 0.991235 -0.110492
C -3.524868 -1.729629 0.563949
C -4.680048 -1.074265 0.056905
C 2.231962 -1.748650 1.214211
H 0.170577 -0.853779 0.490747
H 1.443327 2.249645 -1.129609
H -1.400641 -1.676237 0.783949
H 4.751067 -0.877413 0.974455
H -5.455329 0.650068 -1.007114
H 3.887497 2.786436 -1.189212
H 5.565272 1.228000 -0.137182
H -3.613830 -2.683182 1.092977
H -5.669957 -1.524597 0.193280
H -2.275719 2.382470 -1.601668
H -4.057271 2.414210 -1.832435
H 2.895169 -3.317516 2.171087


