%chk=000096931.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096931

0 1
 O    3.784700      -2.021300      0.1234000    
 O    5.411800     -0.2523000     -5.0099999E-02
 O   -2.704600       1.832400     -0.2107000    
 N   -3.226200     -0.1994000      0.7912000    
 C   -5.357600     -0.5532000     -0.4056000    
 C   -4.657900     -2.3300000E-02  0.8538000    
 C   -5.080800      -2.040000     -0.6349000    
 C   -6.863100     -0.2836000     -0.3836000    
 C    3.205100     -0.7948000      1.4000000E-02
 C    1.460800      0.7887000     -0.1179000    
 C    4.134400      0.2153000     -8.4899999E-02
 C    1.849400     -0.5384000      3.9999999E-04
 C   -2.368600      0.7509000      0.2605000    
 C    2.392100       1.824900     -0.2192000    
 C    3.759100       1.537800     -0.2029000    
 C   2.4000000E-02   1.115300     -0.1372000    
 C  -0.9456000      0.3108000      0.3225000    
 C    5.182800      -1.669900      8.1400000E-02
 H   -4.947300     -1.4800000E-02  -1.271000    
 H   -4.877300       1.042000      0.9874000    
 H   -5.011700     -0.5544000       1.744200    
 H   -5.428400      -2.640500      0.2125000    
 H   -5.595400      -2.396100      -1.533900    
 H   -4.012200      -2.232600     -0.7733000    
 H   -7.344100     -0.8046000      0.4511000    
 H   -7.334600     -0.6207000      -1.312700    
 H   -7.063000      0.7875000     -0.2755000    
 H   -2.850000      -1.069300       1.157100    
 H    1.157300      -1.369700      6.0899999E-02
 H    2.073600       2.860600     -0.3097000    
 H    4.494400       2.330600     -0.2799000    
 H  -0.2245000       2.089300     -0.5525000    
 H    5.647700      -2.181000     -0.7695000    
 H    5.660000      -2.018300       1.004700    
 H  -0.7474000     -0.6563000      0.7696000    


%chk=000096931-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096931

0 1
O 4.204229 -1.902654 0.458975
O 5.620997 -0.091141 -0.239280
O -2.736663 1.706077 0.084737
N -3.293969 -0.440416 0.800523
C -5.489927 -0.478041 -0.469495
C -4.736281 -0.160792 0.852238
C -5.406050 -1.978397 -0.830304
C -6.958895 -0.013233 -0.347593
C 3.430990 -0.745992 0.186925
C 1.484551 0.665096 -0.042542
C 4.268819 0.317541 -0.223803
C 2.051591 -0.611464 0.288625
C -2.373310 0.525773 0.402778
C 2.343735 1.725133 -0.454796
C 3.750278 1.571753 -0.553065
C 0.043365 0.929356 0.026178
C -0.954299 0.069356 0.392394
C 5.615310 -1.515501 0.198031
H -4.998715 0.109861 -1.269977
H -4.847404 0.914202 1.080428
H -5.182148 -0.744988 1.681774
H -5.879936 -2.600293 -0.044753
H -5.929848 -2.185371 -1.781535
H -4.357702 -2.310019 -0.950650
H -7.481170 -0.557472 0.463776
H -7.511539 -0.201263 -1.286236
H -7.021403 1.068840 -0.128783
H -2.963121 -1.379741 1.023852
H 1.430433 -1.451055 0.609732
H 1.897912 2.694205 -0.704092
H 4.398191 2.392201 -0.870121
H -0.286696 1.942345 -0.247991
H 6.016597 -2.140683 -0.617720
H 6.193192 -1.603543 1.133878
H -0.744217 -0.968079 0.687591


