%chk=000121173.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121173

0 1
 O    1.441500      -1.274500      -1.959000    
 N    2.272100     -3.3100002E-02 -0.1811000    
 N   -3.229800       1.071200     -0.2163000    
 C    3.364200       1.544900       1.187200    
 C    4.409200      0.7810000      0.3838000    
 C    2.147700      0.6328000       1.114100    
 C    3.592500      0.1869000     -0.7532000    
 C    1.289500     -0.7290000     -0.8677000    
 C  -4.3699998E-02 -0.8123000     -0.2500000    
 C  -0.9964000      0.1647000     -0.5250000    
 C   -2.260100      8.4799998E-02  6.0300000E-02
 C  -0.3444000      -1.868700      0.6054000    
 C   -2.565800     -0.9721000      0.9179000    
 C   -1.607900      -1.948700       1.190500    
 C   -4.640200      0.7386000     -0.2007000    
 C   -2.828400       2.433500     -0.5061000    
 H    3.677700       1.747700       2.214800    
 H    3.146900       2.501700      0.6972000    
 H    5.226000       1.415700      2.9800000E-02
 H    4.836600     -2.0099999E-02  0.9988000    
 H    2.178500     -0.1405000       1.889200    
 H    1.206800       1.183300       1.194300    
 H    3.483500      0.8936000      -1.583400    
 H    4.008300     -0.7485000      -1.139100    
 H  -0.7398000      0.9724000      -1.205700    
 H   0.3956000      -2.633800      0.8246000    
 H   -3.535900      -1.057600       1.399400    
 H   -1.844600      -2.769900       1.860600    
 H   -4.830300     -0.2276000     -0.6818000    
 H   -5.227500       1.483700     -0.7490000    
 H   -5.020800      0.7096000      0.8257000    
 H   -2.496600       2.527400      -1.545400    
 H   -2.022900       2.764600      0.1592000    
 H   -3.662000       3.130200     -0.3624000    


%chk=000121173-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121173

0 1
O 1.253959 0.475961 -2.017541
N 2.420148 0.077370 -0.065071
N -3.627491 0.980954 -0.471318
C 3.947318 0.814043 1.606185
C 4.756964 0.403992 0.348995
C 2.611323 0.059067 1.411545
C 3.694361 0.394177 -0.774879
C 1.233805 0.146728 -0.780971
C -0.070329 -0.165204 -0.086869
C -1.209380 0.528505 -0.553586
C -2.507065 0.278192 -0.013327
C -0.204326 -1.159299 0.917351
C -2.622809 -0.722108 1.006426
C -1.486119 -1.427394 1.445726
C -4.956111 0.678417 0.070744
C -3.481789 1.973897 -1.542987
H 4.446406 0.544109 2.552433
H 3.769835 1.905529 1.605958
H 5.586992 1.095143 0.126215
H 5.182487 -0.607486 0.486988
H 2.705258 -0.979586 1.788451
H 1.757771 0.532033 1.924561
H 3.599718 1.376476 -1.276068
H 3.891559 -0.352134 -1.563845
H -1.057094 1.241872 -1.367473
H 0.657736 -1.744848 1.249263
H -3.596854 -0.958519 1.443751
H -1.605419 -2.205269 2.209004
H -5.255635 -0.373385 -0.121192
H -5.703067 1.333845 -0.404324
H -5.003943 0.850220 1.165847
H -3.104413 1.520450 -2.482489
H -2.782709 2.785336 -1.256037
H -4.461587 2.430815 -1.754566


