%chk=000093716.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093716

0 1
 O  -0.8125000       1.910800      0.8069000    
 O  -0.2001000      -2.764400      0.3013000    
 N  -0.4277000     -0.4481000      0.5824000    
 N   -4.040900       2.628100     -0.3124000    
 C    1.939200     -3.5399999E-02  2.9300001E-02
 C    3.357100      9.6600004E-02  0.5951000    
 C   0.8995000     -0.3007000       1.113800    
 C    4.381200      0.3018000     -0.5240000    
 C    5.820800      0.4101000     -1.6600000E-02
 C   -1.284000      0.6625000      0.4296000    
 C  -0.8718000      -1.737200      0.2068000    
 C    6.849100      0.5430000      -1.129200    
 C   -2.531600      0.5409000     -6.4900003E-02
 C   -3.034400     -0.7655000     -0.4639000    
 C   -2.251600      -1.847100     -0.3377000    
 C   -4.428200     -0.8878000      -1.015100    
 C   -3.364100       1.692500     -0.2014000    
 H    1.682200      0.8769000     -0.5225000    
 H    1.915400     -0.8529000     -0.7026000    
 H    3.398600      0.9411000       1.293200    
 H    3.611900     -0.8068000       1.162000    
 H   0.9221000      0.4691000       1.893900    
 H    1.171900      -1.231200       1.628800    
 H    4.129400       1.209500      -1.086300    
 H    4.315000     -0.5358000      -1.229700    
 H    5.905200       1.275000      0.6519000    
 H    6.062900     -0.4773000      0.5804000    
 H    6.820100     -0.3266000      -1.793300    
 H    6.661100       1.439400      -1.728500    
 H    7.856800      0.6181000     -0.7091000    
 H   -2.589500      -2.837400     -0.6243000    
 H   -4.675600      -1.923600      -1.273800    
 H   -4.539900     -0.2918000      -1.927300    
 H   -5.168300     -0.5531000     -0.2803000    
 H   0.1544000       1.907900      0.7442000    


%chk=000093716-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093716

0 1
O -0.712245 1.874315 0.618435
O -0.228724 -2.846063 0.472773
N -0.481609 -0.505110 0.562968
N -3.968822 2.730459 -0.539715
C 1.943627 -0.078087 -0.029146
C 3.373162 0.039842 0.544991
C 0.912618 -0.420787 1.072740
C 4.433400 0.306601 -0.547258
C 5.864906 0.450859 0.018217
C -1.237346 0.625265 0.343294
C -0.991998 -1.852081 0.272363
C 6.919886 0.696611 -1.081935
C -2.554061 0.554196 -0.140127
C -3.120190 -0.749223 -0.424743
C -2.350639 -1.888083 -0.219150
C -4.537056 -0.833859 -0.946960
C -3.304010 1.752535 -0.349146
H 1.679966 0.861846 -0.557866
H 1.914958 -0.881783 -0.788474
H 3.413211 0.854900 1.298926
H 3.630677 -0.896358 1.081359
H 0.962289 0.288356 1.924944
H 1.135170 -1.426404 1.468664
H 4.167499 1.228453 -1.106109
H 4.413485 -0.521545 -1.285274
H 5.887750 1.286280 0.747716
H 6.126857 -0.465371 0.585663
H 6.938453 -0.139206 -1.806338
H 6.698827 1.623178 -1.644784
H 7.934231 0.795481 -0.654195
H -2.750015 -2.882874 -0.430121
H -4.833535 -1.878899 -1.130097
H -4.644546 -0.266382 -1.889966
H -5.249055 -0.386269 -0.228837
H 0.246577 1.849804 0.863890


