%chk=000017543.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017543

0 1
 O   -1.604000     -0.1623000       1.372200    
 N   0.8904000     -0.1253000      0.2592000    
 N   -2.530700     -0.6108000     -0.7099000    
 N   -3.815000     -0.3278000     -0.2906000    
 C   0.6748000       1.316400      0.1166000    
 C    2.209800     -0.4933000     -0.2602000    
 C  -0.1573000     -0.8723000     -0.4220000    
 C  -0.6700000       1.712500      0.7195000    
 C   0.7472000       1.697100      -1.358800    
 C    2.464500      -1.983100     -4.9800001E-02
 C    3.279400      0.3483000      0.4286000    
 C   -1.489100     -0.4995000      0.1950000    
 H    1.414300       1.895000      0.6796000    
 H    2.297200     -0.3423000      -1.342500    
 H  -7.6099999E-02  -1.945700     -0.2138000    
 H  -0.1637000     -0.7661000      -1.511200    
 H  -0.5967000       2.818900      0.7413000    
 H   -1.568000       1.678800      9.5100001E-02
 H  -0.7366000       1.573000       1.806300    
 H    1.726500       1.544000      -1.818500    
 H   0.5668000       2.777200      -1.446300    
 H  -1.8600000E-02   1.232400      -1.985800    
 H    3.512200      -2.227400     -0.2616000    
 H    2.265000      -2.285900      0.9846000    
 H    1.867400      -2.610000     -0.7195000    
 H    3.324600       1.376600      5.6800000E-02
 H    4.273700     -7.3700003E-02  0.2381000    
 H    3.149600      0.3666000       1.517100    
 H   -2.394700     -0.9008000      -1.673100    
 H   -4.393200      -1.126000     -0.5495000    
 H   -4.144500      0.4536000     -0.8558000    


%chk=000017543-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017543

0 1
O -1.328290 -1.865996 0.840920
N 0.789463 0.116172 -0.123756
N -2.699764 -0.679502 -0.605012
N -3.918665 -1.125629 -0.026688
C 0.803181 1.608989 -0.156847
C 2.106846 -0.597323 -0.185797
C -0.261362 -0.505876 -0.951628
C -0.548428 2.186100 0.320846
C 1.221328 2.220990 -1.527740
C 1.967780 -2.022892 0.401085
C 3.220696 0.147711 0.583258
C -1.446448 -1.074501 -0.137320
H 1.552993 1.919810 0.591366
H 2.442507 -0.694501 -1.253003
H 0.158883 -1.358893 -1.522081
H -0.649308 0.201616 -1.716619
H -0.469193 3.281571 0.447898
H -1.363186 1.996169 -0.402080
H -0.833187 1.736296 1.287848
H 2.198288 1.825828 -1.861626
H 1.306687 3.321078 -1.450738
H 0.477314 2.000932 -2.317149
H 2.919526 -2.574135 0.280671
H 1.710479 -1.962169 1.472612
H 1.165398 -2.605409 -0.081367
H 3.492386 1.116232 0.127459
H 4.129388 -0.480488 0.590769
H 2.917233 0.319424 1.632576
H -2.799507 -0.005655 -1.365608
H -4.001252 -2.148667 -0.119641
H -3.956585 -0.859182 0.968493


