%chk=000050645.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050645

0 1
 O    1.127400       1.102700      0.4517000    
 O   -4.933100     -0.8332000      0.5947000    
 O    1.419200      -1.387500     -0.9690000    
 N   -2.391900      0.2185000     -0.1384000    
 C   -1.232100       1.078900      8.5500002E-02
 C   2.4499999E-02  0.2263000      0.1820000    
 C   -2.534400     -0.7587000      0.9497000    
 C   -3.618800       1.018000     -0.2610000    
 C   0.2783000     -0.5355000      -1.112200    
 C   -1.115900       2.107900      -1.037200    
 C   -3.757300      -1.636700      0.6999000    
 C   -4.816600      9.8499998E-02 -0.4814000    
 C    2.335200      0.4763000      0.2916000    
 C    2.474900     -0.7360000     -0.3876000    
 C    3.455500       1.107200      0.8330000    
 C    3.728300      -1.340400     -0.4877000    
 C    4.710700      0.5091000      0.7205000    
 C    4.846100     -0.7156000      6.5899998E-02
 H   -1.336300       1.640000       1.025500    
 H  -6.9999998E-04 -0.4544000       1.040100    
 H   -2.639400     -0.2482000       1.915700    
 H   -1.693100      -1.452900       1.011300    
 H   -3.588700       1.692300      -1.122000    
 H   -3.779000       1.617100      0.6447000    
 H  -0.5608000      -1.184600      -1.379500    
 H   0.4750000      0.1288000      -1.962600    
 H  -0.1379000       2.601500      -1.037900    
 H   -1.258600       1.665700      -2.029900    
 H   -1.848700       2.914300     -0.9207000    
 H   -3.644200      -2.240500     -0.2090000    
 H   -3.900500      -2.325500       1.538800    
 H   -5.738800      0.6876000     -0.5115000    
 H   -4.740000     -0.4464000      -1.430300    
 H    3.357400       2.056800       1.351900    
 H    3.844100      -2.289800      -1.003500    
 H    5.583300      0.9952000       1.147000    
 H    5.824100      -1.181100     -1.6600000E-02


%chk=000050645-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050645

0 1
O 1.173987 1.039394 0.493041
O -5.096052 -0.904716 0.507786
O 1.491398 -1.308755 -1.221839
N -2.443124 0.212174 0.000149
C -1.234339 1.086652 0.155279
C 0.027248 0.189604 0.074697
C -2.751808 -0.550124 1.245323
C -3.681234 0.902585 -0.454779
C 0.318300 -0.407607 -1.307259
C -1.163527 2.234909 -0.871534
C -3.873393 -1.568555 0.984286
C -4.788741 -0.134576 -0.707263
C 2.432769 0.426718 0.283567
C 2.583280 -0.726935 -0.536951
C 3.556796 0.989481 0.921544
C 3.851654 -1.324830 -0.683148
C 4.828112 0.396867 0.761344
C 4.973444 -0.767322 -0.032443
H -1.216613 1.550209 1.173375
H -0.044350 -0.646293 0.798669
H -3.067622 0.141201 2.066231
H -1.854122 -1.093182 1.591037
H -3.486919 1.441258 -1.397356
H -4.044095 1.643876 0.300652
H -0.521290 -1.031707 -1.646315
H 0.534173 0.386288 -2.046930
H -0.175632 2.718789 -0.788749
H -1.290644 1.875899 -1.908783
H -1.931822 3.001488 -0.674743
H -3.531481 -2.312396 0.232217
H -4.161390 -2.086713 1.913910
H -5.733275 0.358603 -0.990926
H -4.467765 -0.824610 -1.517866
H 3.413310 1.879507 1.542623
H 3.938013 -2.214118 -1.315569
H 5.697719 0.837770 1.259523
H 5.956235 -1.235135 -0.151300


