%chk=000033508.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033508

0 1
 O    1.784000      -1.166700       1.206200    
 O    3.049300       1.009800     -0.2159000    
 O   -3.239000      -1.587300      0.9799000    
 O  -0.8892000       2.781100      -1.016800    
 O    3.830800       2.835400      0.9648000    
 N   0.7110000      -2.496600      -2.138100    
 N  -0.4011000      -1.570400      0.3633000    
 N   -3.528200       2.987000     -0.4597000    
 C    1.470800      -2.145600     -0.9420000    
 C   0.9745000      -1.126800      3.7900001E-02
 C   0.5083000      -3.286800     -0.9312000    
 C  -0.6385000      -2.962000     -1.6400000E-02
 C   0.7821000      0.3220000     -0.5218000    
 C   -1.278600     -0.5156000      0.2409000    
 C  -0.6827000      0.5793000     -0.2308000    
 C    1.714800       1.351900      0.1095000    
 C   -2.712400     -0.5718000      0.5380000    
 C   -1.437000       1.801300     -0.5208000    
 C    1.938600      -2.494500       1.688000    
 C   -3.493400      0.6850000      0.2914000    
 C   -2.905000       1.797200     -0.1996000    
 C   -4.954600      0.5761000      0.6386000    
 C    4.020500       1.840500      0.2780000    
 C    5.375200       1.357600     -0.1434000    
 H    2.538700      -2.266400      -1.028800    
 H   0.8481000      -4.309300     -0.9329000    
 H    1.305100      -3.005800      -2.791400    
 H   -1.587800      -3.086500     -0.5491000    
 H  -0.6501000      -3.613500      0.8618000    
 H   0.9277000      0.3221000      -1.610100    
 H    1.587700       1.388800       1.198800    
 H    1.504100       2.349900     -0.2908000    
 H    2.448100      -3.172600      0.9996000    
 H    1.004800      -2.911000       2.069500    
 H    2.598200      -2.424100       2.560700    
 H   -5.073600      0.3278000       1.698800    
 H   -5.426700     -0.2130000      4.3200001E-02
 H   -5.517000       1.495200      0.4585000    
 H   -4.516800       3.106800     -0.2874000    
 H   -2.992000       3.761200     -0.8319000    
 H    5.447700       1.364700      -1.233800    
 H    5.547100      0.3516000      0.2476000    
 H    6.141000       2.025000      0.2621000    


%chk=000033508-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033508

0 1
O 1.681445 -1.025751 1.320731
O 3.115362 1.081889 -0.475558
O -3.299691 -1.860909 0.536943
O -0.940513 3.022289 -0.551485
O 4.133848 2.444384 1.120042
N 0.832166 -2.297689 -2.178026
N -0.425942 -1.602673 0.177769
N -3.551570 2.954548 -0.054860
C 1.621281 -2.129529 -0.889362
C 0.985574 -1.090726 0.033949
C 0.658673 -3.297091 -1.041743
C -0.608120 -3.017717 -0.225956
C 0.803525 0.381746 -0.470473
C -1.313123 -0.553057 0.121211
C -0.667629 0.650761 -0.149418
C 1.779662 1.397459 0.121653
C -2.798211 -0.695462 0.322636
C -1.415199 1.864636 -0.242990
C 1.641596 -2.242947 2.144782
C -3.575161 0.531025 0.263079
C -2.921258 1.742858 0.014359
C -5.072442 0.462806 0.474490
C 4.221284 1.668811 0.141468
C 5.508110 1.216607 -0.519797
H 2.708595 -2.241850 -0.877859
H 1.010232 -4.326705 -1.157479
H 1.432643 -2.683111 -2.931309
H -1.536154 -3.125616 -0.808613
H -0.670552 -3.688668 0.651100
H 0.927790 0.379508 -1.571608
H 1.850328 1.329976 1.217367
H 1.490688 2.419762 -0.175610
H 2.097448 -3.110876 1.628506
H 0.603352 -2.486234 2.439012
H 2.230051 -1.999971 3.042522
H -5.394640 1.048667 1.358911
H -5.368238 -0.585650 0.640091
H -5.634413 0.839489 -0.403930
H -4.554141 3.057401 0.077179
H -2.956756 3.761126 -0.275590
H 5.327831 0.872508 -1.549381
H 5.941343 0.381363 0.060559
H 6.235423 2.043615 -0.512912


