%chk=000021567.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021567

0 1
 O   -3.084500      0.8902000      0.4725000    
 N   -1.393500     -0.3191000      0.1118000    
 N   -2.153100      0.6710000     -0.3111000    
 C  -4.8000002E-03 -0.1706000     -0.3191000    
 C   0.5061000       1.228400      4.3000001E-02
 C   0.8601000      -1.258900      0.3263000    
 C    1.980000       1.394800     -0.3235000    
 C    2.333300      -1.089600     -4.1099999E-02
 C    2.843200      0.3059000      0.3073000    
 C   -1.886800      -1.652100     -0.2662000    
 H   6.5899998E-02 -0.2793000      -1.412800    
 H   0.3870000       1.411200       1.119700    
 H  -4.7699999E-02   2.017000     -0.4809000    
 H   0.5753000      -2.262700     -5.5000000E-03
 H   0.7561000      -1.233300       1.419100    
 H    2.332600       2.379200      4.4000000E-03
 H    2.091200       1.362600      -1.414400    
 H    2.465200      -1.268400      -1.115500    
 H    2.933300      -1.841700      0.4836000    
 H    3.879800      0.4150000     -3.0900000E-02
 H    2.847700      0.4304000       1.397300    
 H   -1.697600      -1.889500      -1.320300    
 H   -2.971400      -1.726800     -0.1078000    
 H   -1.464400      -2.438100      0.3678000    


%chk=000021567-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021567

0 1
O -3.230553 0.209350 1.047780
N -1.378689 -0.397949 -0.046970
N -1.995643 0.500621 0.794393
C 0.065515 -0.198590 -0.341372
C 0.537628 1.243714 -0.047070
C 0.939604 -1.229035 0.425545
C 2.024257 1.401190 -0.447461
C 2.430618 -1.072076 0.041641
C 2.924368 0.374567 0.281761
C -2.116754 -1.564010 -0.570851
H 0.191253 -0.383353 -1.430891
H 0.409350 1.462837 1.028272
H -0.096453 1.965308 -0.593815
H 0.595738 -2.259822 0.211966
H 0.807621 -1.056274 1.511988
H 2.358064 2.431062 -0.218363
H 2.131309 1.269292 -1.544485
H 2.562644 -1.332143 -1.029457
H 3.042119 -1.790180 0.620549
H 3.973871 0.479795 -0.053917
H 2.911479 0.588232 1.370136
H -1.488439 -2.077601 -1.314399
H -3.060604 -1.226562 -1.033999
H -2.385304 -2.262771 0.242719


