%chk=000025781.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025781

1 1
 O   -2.987800     -0.7305000      0.1212000    
 N   0.5584000      0.4276000      2.3700001E-02
 C  -0.6087000     -0.4974000      0.3377000    
 C    1.841400     -0.1642000      0.5892000    
 C   0.6924000      0.5814000      -1.484500    
 C   0.3083000       1.790700      0.6525000    
 C   -1.888500      0.1113000     -0.2003000    
 C    2.084600      -1.518900     -3.9500002E-02
 H  -0.4563000      -1.468900     -0.1409000    
 H  -0.6565000     -0.6464000       1.422900    
 H    2.661100      0.5273000      0.3640000    
 H    1.728200     -0.2425000       1.676300    
 H  -5.6899998E-02   1.292700      -1.845200    
 H    1.686000      0.9834000      -1.706700    
 H   0.5430000     -0.3842000      -1.975400    
 H    1.235400       2.369200      0.5820000    
 H  -0.4737000       2.325500      0.1082000    
 H   3.8300000E-02   1.649100       1.703300    
 H   -2.124400       1.076700      0.2507000    
 H   -1.887600      0.2271000      -1.287100    
 H    3.059300      -1.884200      0.3075000    
 H    1.366000      -2.279600      0.2755000    
 H    2.146100      -1.505100      -1.129800    
 H   -2.825300      -1.596000     -0.2913000    


%chk=000025781-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025781

1 1
O -2.832489 -1.162542 0.034904
N 0.570054 0.427096 -0.055970
C -0.617554 -0.512202 0.224116
C 1.861604 -0.184925 0.573384
C 0.767391 0.625032 -1.558053
C 0.344191 1.787433 0.604176
C -2.008869 0.028536 -0.155236
C 2.259671 -1.567774 0.049795
H -0.448745 -1.439949 -0.344690
H -0.599210 -0.752948 1.300435
H 2.660113 0.552754 0.378925
H 1.673698 -0.214611 1.660896
H -0.082549 1.190057 -1.966999
H 1.698001 1.189378 -1.723540
H 0.828784 -0.354931 -2.051633
H 1.248535 2.401167 0.472308
H -0.511662 2.291357 0.132494
H 0.147653 1.638725 1.677030
H -2.324970 0.854540 0.513143
H -2.043670 0.380051 -1.207763
H 3.192601 -1.858232 0.564590
H 1.516252 -2.348980 0.276285
H 2.478922 -1.574950 -1.030687
H -3.794951 -0.949984 -0.053911


