%chk=000031692.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031692

0 1
 I  -0.1883000      -1.698500      -1.268700    
 I   -5.269600       1.236500      0.5037000    
 I  -0.1232000       4.226300      0.1106000    
 O   0.8498000       1.282000     -0.7901000    
 O    2.861400       2.414500       1.894500    
 O    2.933600       3.061300     -0.2761000    
 O   -4.138600      -3.122600      0.5358000    
 N   -3.288900      -1.170100     -0.4798000    
 C    1.735700       1.015300      0.2941000    
 C    2.573200     -0.1800000     -1.3500000E-02
 C  -0.4898000       1.245500     -0.5117000    
 C   -2.566500      2.4900001E-02 -0.3548000    
 C    2.487500      -1.317500      0.7894000    
 C   -1.201200      5.3700000E-02 -0.6394000    
 C    3.271600      -2.434800      0.5017000    
 C    3.443000     -0.1599000      -1.103900    
 C   -3.218100       1.187700      5.6299999E-02
 C   -1.139000       2.408100     -0.1009000    
 C   -2.504400       2.379200      0.1834000    
 C    2.556300       2.270000      0.5784000    
 C    4.141300      -2.414600     -0.5888000    
 C    4.226900      -1.277200      -1.391500    
 C   -4.002100      -1.432100      -1.764600    
 C    3.180900      -3.650900       1.360500    
 C   -3.445800      -2.103800      0.5975000    
 C   -2.686000      -1.842700       1.877800    
 H    1.147500      0.8300000       1.205900    
 H    1.816400      -1.335800       1.645300    
 H    3.518300      0.7151000      -1.743800    
 H   -3.011300       3.286900      0.5044000    
 H    4.755700      -3.279300     -0.8250000    
 H    4.902400      -1.262200      -2.241800    
 H   -3.659400      -2.395400      -2.154000    
 H   -3.801600     -0.6401000      -2.491400    
 H   -5.074300      -1.504500      -1.561500    
 H    2.984600      -3.381600       2.403900    
 H    2.374200      -4.300700       1.006900    
 H    4.118000      -4.217800       1.347000    
 H   -2.909900     -0.8468000       2.266200    
 H   -1.611800      -1.944200       1.712600    
 H   -2.987400      -2.573100       2.635100    
 H    3.400100       3.217700       2.058500    


%chk=000031692-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031692

0 1
I -0.677964 0.253871 -2.883798
I -4.399842 -0.953404 1.898599
I 0.128296 3.041557 2.563470
O 0.720386 1.939657 -0.586399
O 4.083239 2.848376 -0.564081
O 2.941240 1.964282 -2.388083
O -3.609973 -3.109683 -2.094102
N -3.151898 -1.028645 -1.155721
C 2.101506 1.609604 -0.066561
C 2.320737 0.130302 0.209617
C -0.384319 1.311405 -0.002237
C -2.350099 -0.190781 -0.315668
C 2.436219 -0.305083 1.553021
C -1.193509 0.470640 -0.821430
C 2.628535 -1.672167 1.872077
C 2.411207 -0.813481 -0.844506
C -2.698803 0.036576 1.044716
C -0.819620 1.561217 1.327403
C -1.956550 0.916128 1.857229
C 3.034541 2.137438 -1.159264
C 2.710011 -2.602991 0.804374
C 2.601298 -2.177395 -0.539254
C -4.276056 -0.395835 -1.880814
C 2.723911 -2.131260 3.316574
C -2.892336 -2.404700 -1.327757
C -1.720891 -2.978500 -0.538963
H 2.276806 2.196997 0.849293
H 2.377328 0.431870 2.364327
H 2.336207 -0.479789 -1.884007
H -2.267916 1.111572 2.885150
H 2.865064 -3.665718 1.027784
H 2.676088 -2.909921 -1.350537
H -3.906670 0.391715 -2.562310
H -5.001896 0.040563 -1.171269
H -4.767444 -1.186925 -2.469174
H 3.055597 -1.314897 3.981306
H 1.740769 -2.480297 3.687620
H 3.431711 -2.971659 3.427452
H -1.868758 -2.851261 0.548659
H -0.767234 -2.490717 -0.809615
H -1.654309 -4.051711 -0.769319
H 4.726592 3.141554 -1.265601


