%chk=000028506.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028506

0 1
 O   -1.666700       1.831000     -2.3000000E-02
 N  -0.2431000      -2.504600     -0.1065000    
 N    4.337400       2.393000      0.1126000    
 C   -3.551300      0.3603000     -0.1141000    
 C   -1.066700     -0.4436000     -7.8000002E-02
 C   0.3532000     -0.3557000     -4.3299999E-02
 C   -2.020900      0.6288000     -7.4199997E-02
 C   0.8452000      -1.662600     -6.2100001E-02
 C   -1.402900      -1.777200     -0.1165000    
 C   -4.091100      0.2442000       1.308300    
 C   -4.299300       1.454000     -0.8791000    
 C    1.269800      0.7134000      2.4999999E-03
 C    2.213500      -1.954900     -3.7099998E-02
 C    2.641500      0.4361000      2.7700000E-02
 C    3.103800     -0.8783000      8.2000000E-03
 C    3.577500       1.516100      7.4600004E-02
 H   -3.732700     -0.5766000     -0.6509000    
 H   -2.353400      -2.290900     -0.1448000    
 H  -0.1923000      -3.513700     -0.1274000    
 H   -3.929900       1.170700       1.870400    
 H   -3.587800     -0.5609000       1.853900    
 H   -5.164600      2.8800000E-02   1.303500    
 H   -5.362200       1.206900     -0.9703000    
 H   -4.219400       2.423900     -0.3762000    
 H   -3.888500       1.568900      -1.888000    
 H   0.9188000       1.741800      1.7999999E-02
 H    2.574300      -2.977900     -5.2299999E-02
 H    4.171700      -1.087900      2.8100001E-02


%chk=000028506-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028506

0 1
O -1.633494 1.857382 -0.080591
N -0.228440 -2.576019 -0.154608
N 4.366776 2.434896 0.195825
C -3.574697 0.370374 -0.124875
C -1.110240 -0.468269 -0.128110
C 0.346405 -0.366707 -0.060358
C -2.060491 0.659848 -0.126798
C 0.869669 -1.704704 -0.079415
C -1.408367 -1.840074 -0.184299
C -4.055714 0.284713 1.354217
C -4.345886 1.462576 -0.897744
C 1.239837 0.726194 0.011704
C 2.252083 -1.985138 -0.029495
C 2.630867 0.454996 0.062523
C 3.129005 -0.890555 0.041814
C 3.574110 1.540872 0.135895
H -3.757744 -0.610319 -0.606855
H -2.373635 -2.338941 -0.242058
H -0.170045 -3.592572 -0.186027
H -3.891158 1.251924 1.862132
H -3.516601 -0.496710 1.920432
H -5.136210 0.055382 1.389388
H -5.435009 1.289256 -0.825799
H -4.114094 2.456822 -0.479685
H -4.065048 1.474842 -1.966205
H 0.854391 1.748068 0.026237
H 2.637727 -3.009540 -0.045538
H 4.209905 -1.055495 0.082291


