%chk=000112666.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112666

0 1
 O   -1.438700      6.1799999E-02   2.097100    
 N   0.7353000      0.6045000      0.5296000    
 N  -0.4943000      0.3857000      8.3999997E-03
 C    3.083600       1.143500      2.7600000E-02
 C    3.986000      5.4000001E-03 -0.4826000    
 C    3.619100      -1.387600      4.2199999E-02
 C    3.515800       2.560500     -0.3795000    
 C    4.533200      -2.459700     -0.5539000    
 C    1.644500      0.8459000     -0.3570000    
 C    2.683500       3.654200      0.2738000    
 C    4.199600      -3.840200     -1.1000000E-02
 C   -1.538300      0.1181000      0.8738000    
 C   -2.865800     -9.0099998E-02  0.2401000    
 C   -3.795500     -0.8796000      0.8843000    
 C   -3.125300      0.5126000     -0.9732000    
 C   -5.041600      -1.075000      0.2882000    
 C   -4.371200      0.3169000      -1.569200    
 C   -5.329700     -0.4766000     -0.9385000    
 H    3.125300       1.104800       1.126000    
 H    5.024100      0.2270000     -0.2043000    
 H    3.952600     -7.7000000E-03  -1.580000    
 H    2.580700      -1.630100     -0.2104000    
 H    3.697800      -1.396700       1.135900    
 H    3.447900       2.667400      -1.468900    
 H    4.567700       2.708800     -0.1079000    
 H    4.435000      -2.468200      -1.645700    
 H    5.579400      -2.227400     -0.3234000    
 H    1.421800      0.8558000      -1.440900    
 H    1.636400       3.602500     -3.9799999E-02
 H    3.068200       4.639100     -9.6000005E-03
 H    2.721600       3.577100       1.365000    
 H    4.320300      -3.873800       1.076500    
 H    3.168200      -4.117500     -0.2513000    
 H    4.864300      -4.590900     -0.4499000    
 H  -0.5805000      0.3881000      -1.002500    
 H   -3.584500      -1.356300       1.836800    
 H   -2.419700       1.162600      -1.479700    
 H   -5.787400      -1.693700      0.7787000    
 H   -4.598600      0.7886000      -2.520900    
 H   -6.300400     -0.6273000      -1.401700    


%chk=000112666-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112666

0 1
O -1.499979 -0.106383 2.124902
N 0.696842 0.602492 0.505494
N -0.586525 0.374212 0.012956
C 3.068183 1.078985 0.056829
C 4.032870 -0.005277 -0.508955
C 3.773077 -1.427379 0.035181
C 3.505973 2.503175 -0.402184
C 4.773278 -2.471350 -0.511616
C 1.646909 0.801603 -0.373545
C 2.711391 3.643357 0.268459
C 4.515666 -3.892198 0.034740
C -1.647188 0.071763 0.885986
C -2.988344 -0.053815 0.203707
C -3.967988 -0.857068 0.842182
C -3.321572 0.618240 -1.002740
C -5.248022 -1.010851 0.271437
C -4.606462 0.468360 -1.570348
C -5.569579 -0.352560 -0.939795
H 3.091963 1.038557 1.163698
H 5.071680 0.295847 -0.261906
H 3.967962 -0.012815 -1.618477
H 2.739862 -1.743650 -0.214315
H 3.826195 -1.411088 1.143208
H 3.412479 2.575150 -1.506237
H 4.584374 2.619536 -0.174416
H 4.719183 -2.483863 -1.619915
H 5.806113 -2.157129 -0.255594
H 1.462578 0.785550 -1.472706
H 1.630787 3.568487 0.049224
H 3.062915 4.631418 -0.081097
H 2.825216 3.610435 1.367733
H 4.593125 -3.911772 1.138096
H 3.501092 -4.242307 -0.233937
H 5.242996 -4.620621 -0.368727
H -0.756725 0.355464 -1.003625
H -3.702977 -1.340860 1.788001
H -2.606308 1.297868 -1.482476
H -5.995419 -1.638397 0.768921
H -4.859801 0.999947 -2.494203
H -6.565416 -0.468562 -1.381739


