%chk=000090176.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090176

0 1
 O   -2.812600     -0.8088000      0.3595000    
 O   -2.105800       1.189000     -0.2135000    
 N   0.5578000      0.2362000      0.2201000    
 N  -0.2562000      -1.751000     -0.3463000    
 N   -1.870500     -2.7400000E-02  4.1000001E-02
 C   0.5910000       1.632400      0.5934000    
 C    1.642000     -0.5783000      5.2200001E-02
 C  -0.5592000     -0.5117000     -2.9700000E-02
 C    1.114500      -1.799300     -0.2965000    
 C   0.6656000       2.549200     -0.6156000    
 C    3.033300     -0.1303000      0.2353000    
 H  -0.2743000       1.860300       1.222900    
 H    1.466000       1.793700       1.232700    
 H    1.649700      -2.712200     -0.5151000    
 H    1.590800       2.383400      -1.177800    
 H   0.6525000       3.595700     -0.2951000    
 H  -0.1654000       2.395900      -1.309400    
 H    3.221300      0.1485000       1.277000    
 H    3.735600     -0.9299000     -2.3100000E-02
 H    3.263600      0.7271000     -0.4043000    


%chk=000090176-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090176

0 1
O -2.894246 -0.898749 -0.150875
O -2.125112 1.221200 0.240238
N 0.553058 0.257235 0.242720
N -0.253266 -1.809439 -0.329997
N -1.940776 -0.054998 0.022871
C 0.648932 1.702930 0.579988
C 1.657910 -0.587593 0.085724
C -0.577687 -0.535005 -0.025406
C 1.128220 -1.848153 -0.265653
C 0.606556 2.600394 -0.671662
C 3.079349 -0.157126 0.287555
H -0.183953 1.955476 1.252177
H 1.597586 1.840860 1.127101
H 1.677360 -2.764358 -0.471105
H 1.408988 2.340962 -1.385028
H 0.736818 3.655713 -0.372697
H -0.368248 2.506169 -1.176968
H 3.286356 0.118967 1.339055
H 3.751347 -0.989932 0.024966
H 3.350509 0.707947 -0.345302


