%chk=000036906.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036906

0 1
 O    3.220600       1.682400     -0.1433000    
 N  -0.2411000      -2.563800      6.8800002E-02
 N   -3.826000       2.108100      8.3600000E-02
 C   -2.156100      0.4422000      0.8599000    
 C   -1.162900     -0.5945000      0.5150000    
 C   0.2186000     -0.3878000      0.2436000    
 C   -2.888500       1.071000     -0.3570000    
 C   0.7736000      -1.639100     -3.3300001E-02
 C   -1.415100      -1.942200      0.3997000    
 C    1.052800      0.7472000      0.2069000    
 C   -3.666900      2.8899999E-02  -1.160500    
 C    2.126500      -1.812700     -0.3463000    
 C    2.408000      0.5887000     -0.1048000    
 C    2.934500     -0.6725000     -0.3768000    
 C    2.621900       2.944100      0.1444000    
 H   -2.900800      1.2300000E-02   1.544700    
 H   -1.663100       1.240800       1.430500    
 H   -2.147400       1.536800      -1.018400    
 H   -2.322900      -2.516200      0.5237000    
 H  -0.1339000      -3.557800     -7.9200000E-02
 H   0.5915000       1.702600      0.4244000    
 H   -4.241500      0.5032000      -1.964700    
 H   -4.369900     -0.5246000     -0.5280000    
 H   -2.995000     -0.6899000      -1.639600    
 H    2.537300      -2.794100     -0.5582000    
 H   -4.247400       2.557900     -0.7282000    
 H   -3.318100       2.836400      0.5839000    
 H    3.989700     -0.7793000     -0.6175000    
 H    3.410600       3.700000      6.9600001E-02
 H    2.239000       2.984600       1.169800    
 H    1.858600       3.206700     -0.5959000    


%chk=000036906-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036906

0 1
O 3.165091 1.714201 -0.270332
N -0.191241 -2.730497 0.187483
N -3.731027 2.152860 0.194573
C -2.306267 0.283068 0.919485
C -1.242921 -0.734833 0.593176
C 0.151594 -0.472880 0.272339
C -2.794255 1.119004 -0.302173
C 0.785409 -1.738864 0.023599
C -1.406221 -2.121139 0.532415
C 0.918575 0.723937 0.183634
C -3.518955 0.244427 -1.341796
C 2.155201 -1.838225 -0.311165
C 2.284100 0.617418 -0.148244
C 2.897910 -0.649691 -0.395719
C 2.609471 3.042819 -0.030137
H -3.196411 -0.202350 1.361778
H -1.921079 0.990074 1.685589
H -1.889426 1.554696 -0.794962
H -2.301234 -2.713912 0.714529
H -0.038634 -3.731259 0.090708
H 0.447748 1.692852 0.374573
H -3.836637 0.845057 -2.216052
H -4.420187 -0.207787 -0.888240
H -2.855357 -0.560016 -1.703051
H 2.635276 -2.804703 -0.500441
H -4.211968 2.672454 -0.546945
H -3.331884 2.776498 0.904425
H 3.961653 -0.662809 -0.651199
H 3.448781 3.740055 -0.172525
H 2.217880 3.138066 1.002630
H 1.801617 3.280877 -0.751157


