%chk=000049516.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049516

0 1
 O    1.119300      0.4873000      1.7700000E-02
 O    2.323100      -1.405200     -0.4289000    
 N   -3.700100      0.9335000     -8.7800004E-02
 N    3.358000      0.6173000      0.1361000    
 C   -4.976700      0.2754000     -0.3589000    
 C   -6.122700       1.283200     -0.2180000    
 C   -5.163700     -0.9109000      0.5934000    
 C   -7.480800      0.6133000     -0.4197000    
 C   -6.523100      -1.578100      0.3913000    
 C   -7.666600     -0.5756000      0.5188000    
 C   -2.593600      5.7000001E-03 -0.2654000    
 C   -1.265100      0.7120000     -1.4600000E-02
 C  -8.5299999E-02 -0.2296000     -0.2148000    
 C    2.289700     -0.2198000     -0.1216000    
 C    4.736000      0.3041000      0.1067000    
 C    5.663300       1.292000      0.3982000    
 C    5.133300     -0.9847000     -0.2122000    
 C    7.023200      0.9831000      0.3698000    
 C    6.493300      -1.293600     -0.2406000    
 C    7.438200     -0.3096000      5.0500002E-02
 H   -4.979900     -9.3699999E-02  -1.393800    
 H   -6.097200       1.747800      0.7767000    
 H   -6.008300       2.092700     -0.9494000    
 H   -4.420000      -1.696700      0.4290000    
 H   -5.072700     -0.5839000       1.637500    
 H   -7.570000      0.2752000      -1.459500    
 H   -8.280200       1.343700     -0.2518000    
 H   -6.653700      -2.380200       1.126500    
 H   -6.557300      -2.045400     -0.6008000    
 H   -8.618700      -1.072300      0.3007000    
 H   -7.722800     -0.2171000       1.554100    
 H   -3.586200       1.730800     -0.7131000    
 H   -2.599200     -0.4138000      -1.278700    
 H   -2.631000     -0.8193000      0.4512000    
 H   -1.233000       1.122600       1.003100    
 H   -1.154200       1.572200     -0.6878000    
 H  -8.5299999E-02 -0.6182000      -1.240000    
 H  -0.1513000      -1.068900      0.4876000    
 H    3.127100       1.578200      0.3769000    
 H    5.350900       2.302100      0.6483000    
 H    4.462300      -1.797800     -0.4483000    
 H    7.759000       1.749100      0.5964000    
 H    6.818000      -2.299900     -0.4890000    
 H    8.497100     -0.5502000      2.8400000E-02


%chk=000049516-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049516

0 1
O 1.195473 0.386036 -0.030501
O 2.490680 -1.473693 -0.680254
N -3.700002 0.692200 -0.042255
N 3.440806 0.545706 0.134919
C -5.052225 0.131702 -0.297930
C -6.089886 1.278501 -0.270707
C -5.423425 -0.943295 0.754084
C -7.528788 0.756426 -0.493365
C -6.858534 -1.479464 0.535037
C -7.896488 -0.332368 0.543338
C -2.561113 -0.203365 -0.335802
C -1.224384 0.516331 -0.058016
C -0.030050 -0.387580 -0.364379
C 2.409330 -0.301144 -0.236722
C 4.838691 0.285621 0.102541
C 5.704867 1.322666 0.542878
C 5.384023 -0.947462 -0.343750
C 7.101072 1.130671 0.537893
C 6.784782 -1.122111 -0.341759
C 7.652054 -0.094630 0.095167
H -5.105927 -0.352446 -1.310551
H -6.019977 1.784586 0.713469
H -5.835102 2.032844 -1.044428
H -4.702910 -1.783247 0.720793
H -5.336038 -0.479027 1.756706
H -7.611569 0.329494 -1.514373
H -8.246670 1.597523 -0.438982
H -7.103730 -2.224806 1.316074
H -6.909451 -2.009900 -0.438847
H -8.909519 -0.729383 0.337166
H -7.927640 0.123023 1.554805
H -3.585663 1.594027 -0.529573
H -2.571474 -0.581841 -1.391879
H -2.633795 -1.093547 0.317775
H -1.198155 0.830606 1.000697
H -1.153367 1.433858 -0.675694
H 0.013955 -0.678852 -1.430479
H -0.042125 -1.311183 0.244287
H 3.141270 1.462233 0.474742
H 5.284804 2.276085 0.888566
H 4.715732 -1.742268 -0.681190
H 7.757132 1.938627 0.880255
H 7.199674 -2.075844 -0.687097
H 8.736760 -0.244510 0.091544


