%chk=000018524.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018524

0 1
 O   -4.926000      -1.748000      0.3962000    
 N    1.085700       1.262900     -0.1598000    
 N   -3.177000      0.4611000     -6.3000000E-03
 C  -0.3222000       1.372600      0.1872000    
 C   -1.173700       1.452400      -1.081200    
 C   -2.669700       1.586500     -0.7884000    
 C    1.397200      4.1000001E-02 -0.9352000    
 C    1.975600       1.272200       1.023000    
 C    2.784000     -0.3252000     -0.5128000    
 C    3.122700      0.3957000      0.6335000    
 C   -2.998300     -0.8029000     -0.7341000    
 C   -4.595200      0.6542000      0.3266000    
 C   -3.546200      -1.960500      9.5700003E-02
 C   -5.104600     -0.5375000       1.132200    
 C    3.658400      -1.239900      -1.070400    
 C    4.345800      0.2230000       1.255000    
 C    4.901200      -1.416800     -0.4576000    
 C    5.242200     -0.6909000      0.6963000    
 H  -0.6300000      0.5249000      0.8113000    
 H  -0.4826000       2.284000      0.7763000    
 H  -0.8699000       2.345500      -1.645400    
 H  -0.9933000      0.6148000      -1.762200    
 H   -3.213500       1.687800      -1.736800    
 H   -2.826700       2.518900     -0.2311000    
 H    1.361200      0.2508000      -2.008700    
 H   0.7294000     -0.7934000     -0.6889000    
 H    1.490700      0.8459000       1.909400    
 H    2.307000       2.293300       1.234800    
 H   -1.944200      -1.026900     -0.9190000    
 H   -3.518700     -0.7662000      -1.699900    
 H   -5.190900      0.7560000     -0.5899000    
 H   -4.726300       1.566000      0.9204000    
 H   -3.469700      -2.894500     -0.4703000    
 H   -2.984300      -2.091400       1.028800    
 H   -4.595400     -0.6189000       2.100300    
 H   -6.175200     -0.4233000       1.330000    
 H    3.392300      -1.806600      -1.955600    
 H    4.605900      0.7765000       2.150500    
 H    5.611200      -2.126500     -0.8737000    
 H    6.212400     -0.8469000       1.160500    


%chk=000018524-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018524

0 1
O -5.359645 -1.554022 0.500175
N 1.112430 0.961014 -0.077769
N -3.314418 0.438823 -0.071782
C -0.336997 1.022922 0.181394
C -1.147417 1.270382 -1.106653
C -2.646268 1.520477 -0.841248
C 1.575490 -0.172028 -0.930965
C 1.973784 1.024869 1.140024
C 3.030056 -0.332481 -0.525755
C 3.263932 0.369595 0.682189
C -3.349397 -0.860587 -0.790362
C -4.688727 0.830042 0.337017
C -3.995994 -1.936175 0.098103
C -5.315737 -0.265843 1.212860
C 4.063835 -1.057099 -1.148480
C 4.535768 0.356913 1.285608
C 5.347103 -1.069271 -0.547061
C 5.581189 -0.367600 0.660242
H -0.713756 0.097034 0.685590
H -0.524480 1.859658 0.882650
H -0.730625 2.160805 -1.615555
H -1.018339 0.423659 -1.808892
H -3.162517 1.699591 -1.821042
H -2.752642 2.451152 -0.248894
H 1.447888 0.057690 -2.005772
H 1.006521 -1.118431 -0.724688
H 1.538325 0.455049 2.002330
H 2.104224 2.072693 1.472338
H -2.318042 -1.174326 -1.035423
H -3.921733 -0.780899 -1.750290
H -5.346474 1.003997 -0.553164
H -4.636304 1.775024 0.911138
H -4.105696 -2.888922 -0.445981
H -3.369370 -2.091507 1.003270
H -4.727007 -0.376476 2.149200
H -6.364181 -0.028840 1.459059
H 3.887078 -1.600627 -2.083933
H 4.721849 0.899554 2.219701
H 6.165977 -1.622924 -1.020294
H 6.579619 -0.383186 1.111815


