%chk=000039003.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039003

0 1
 O    4.498700       1.161000     -0.3130000    
 N  -0.7794000     -0.1120000      0.4384000    
 N   -3.842600       1.954300     -0.1182000    
 C   0.4879000      0.4000000      0.2886000    
 C  -0.7841000      -1.472200      0.2373000    
 C   -1.951800      0.6759000      0.7633000    
 C    1.331000     -0.6681000     -1.9099999E-02
 C   0.5268000      -1.851600     -5.1300000E-02
 C   -2.657600       1.190500     -0.4880000    
 C   0.9458000       1.717600      0.4017000    
 C    2.702100     -0.4075000     -0.2247000    
 C   -1.842600      -2.386400      0.2896000    
 C   0.7954000      -3.214000     -0.3005000    
 C    3.174800      0.9051000     -0.1156000    
 C    2.307800       1.950600      0.1931000    
 C   -1.551500      -3.730100      3.9200000E-02
 C  -0.2527000      -4.140000     -0.2516000    
 C   -4.550100       2.419500      -1.312700    
 C   -3.480100       3.090400      0.7311000    
 C    4.922000       2.517000     -0.1877000    
 H   -2.622400      5.6000002E-02   1.369900    
 H   -1.603300       1.477600       1.421000    
 H   -1.966200       1.793500      -1.092100    
 H   -2.951100      0.3337000      -1.108200    
 H   0.2793000       2.540900      0.6362000    
 H    3.386100      -1.216800     -0.4659000    
 H   -2.859300      -2.079300      0.5103000    
 H    1.803300      -3.549200     -0.5289000    
 H    2.623300       2.984700      0.2879000    
 H   -2.351800      -4.464900      7.1099997E-02
 H  -4.9199998E-02  -5.190200     -0.4432000    
 H   -4.848200       1.570700      -1.938400    
 H   -3.937300       3.096800      -1.918600    
 H   -5.472600       2.941800      -1.035800    
 H   -2.668300       3.691200      0.3049000    
 H   -3.206000       2.774600       1.742200    
 H   -4.343500       3.752700      0.8703000    
 H    4.769700       2.895000      0.8290000    
 H    4.455400       3.156800     -0.9443000    
 H    6.000600       2.536900     -0.3759000    


%chk=000039003-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039003

0 1
O 4.666631 1.040870 -0.296392
N -0.773186 -0.046212 0.516639
N -3.923734 2.012215 -0.059407
C 0.541117 0.444765 0.354764
C -0.773899 -1.423622 0.228110
C -1.952511 0.753941 0.853285
C 1.403535 -0.643774 -0.024980
C 0.564831 -1.834198 -0.106550
C -2.680319 1.289711 -0.407083
C 1.042239 1.749807 0.517971
C 2.777455 -0.410881 -0.234954
C -1.848232 -2.340696 0.245113
C 0.819498 -3.187585 -0.425198
C 3.280817 0.899052 -0.066052
C 2.422528 1.973268 0.307306
C -1.566875 -3.686687 -0.075614
C -0.248954 -4.109664 -0.408274
C -4.865012 2.092378 -1.196886
C -3.676546 3.342279 0.536403
C 5.245787 2.371478 -0.127197
H -2.662796 0.141374 1.436253
H -1.633351 1.585694 1.506409
H -1.971259 1.920854 -1.001742
H -2.949070 0.424092 -1.040321
H 0.392911 2.585320 0.799296
H 3.467063 -1.209877 -0.523042
H -2.867536 -2.029817 0.497710
H 1.832377 -3.517959 -0.681532
H 2.819330 2.984902 0.432997
H -2.381240 -4.420188 -0.068898
H -0.066624 -5.161526 -0.653294
H -5.093793 1.076426 -1.564237
H -4.473815 2.692353 -2.057145
H -5.811073 2.555069 -0.862566
H -3.145801 4.040874 -0.160396
H -3.073359 3.251402 1.456109
H -4.639777 3.804282 0.816218
H 5.121698 2.740984 0.910419
H 4.802554 3.102053 -0.833214
H 6.316688 2.249743 -0.348625


