%chk=000055193.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055193

0 1
 O    4.805300       1.580900      0.1074000    
 O   -4.679100      -1.664100      -1.206500    
 O   -5.934800     -0.7718000       1.107300    
 N    1.170400       1.888400     -0.6538000    
 C    2.373400       1.322200     -5.4600000E-02
 C    2.496600     -0.1593000     -0.4093000    
 C    3.620700       2.049500     -0.5493000    
 C    3.863700     -0.6684000     -4.5499999E-02
 C  -2.0099999E-02   1.195800     -0.1814000    
 C    4.927200      0.2167000      0.1770000    
 C   -1.286100       1.817900     -0.7716000    
 C    4.092900      -2.047700      4.6700001E-02
 C   -2.528300       1.123700     -0.2725000    
 C    6.189000     -0.2719000      0.5254000    
 C    5.357000      -2.533400      0.3822000    
 C    6.403100      -1.645900      0.6254000    
 C   -3.033400      4.1600000E-02 -0.9772000    
 C   -3.144700       1.579100      0.8831000    
 C   -4.182200     -0.6008000     -0.5151000    
 C   -4.293700      0.9370000       1.344900    
 C   -4.812300     -0.1530000      0.6459000    
 C   -4.197400      -2.956300     -0.8425000    
 C   -7.187100     -0.2803000      0.6339000    
 H    2.333300       1.426000       1.039300    
 H    2.343800     -0.3247000      -1.483700    
 H    1.761100     -0.7551000      0.1436000    
 H    3.754500       1.946800      -1.634300    
 H    3.545900       3.121700     -0.3340000    
 H    1.106800       2.880000     -0.4250000    
 H  -1.6799999E-02  0.1431000     -0.4832000    
 H  -7.0900001E-02   1.229500      0.9144000    
 H   -1.256500       1.774300      -1.868600    
 H   -1.340400       2.885300     -0.5185000    
 H    3.285300      -2.751700     -0.1381000    
 H    7.011700      0.4128000      0.7141000    
 H    5.524800      -3.603900      0.4562000    
 H    7.386000      -2.024300      0.8907000    
 H   -2.543700     -0.3100000      -1.881600    
 H   -2.747100       2.425500       1.435700    
 H   -4.778700       1.290400       2.250900    
 H   -4.690200      -3.697100      -1.477900    
 H   -4.437000      -3.176600      0.2025000    
 H   -3.116400      -3.021400      -1.002300    
 H   -7.252100     -0.3754000     -0.4545000    
 H   -7.325000      0.7647000      0.9290000    
 H   -7.982900     -0.8791000       1.085300    


%chk=000055193-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055193

0 1
O 4.950252 1.691126 -0.002797
O -5.050318 -1.412227 -1.403002
O -6.149935 -0.671189 1.213580
N 1.233135 1.689207 -0.612601
C 2.501254 1.205814 -0.022686
C 2.758942 -0.281760 -0.353078
C 3.656508 2.030807 -0.625117
C 4.195701 -0.676661 -0.028965
C -0.002808 1.044071 -0.112795
C 5.207306 0.309429 0.130199
C -1.249796 1.730981 -0.723722
C 4.565638 -2.032987 0.142426
C -2.547946 1.105527 -0.236115
C 6.535982 -0.044672 0.459482
C 5.889463 -2.405475 0.459892
C 6.875941 -1.402325 0.623258
C -3.229024 0.141446 -1.018685
C -3.080240 1.438566 1.036855
C -4.412944 -0.472272 -0.556961
C -4.275587 0.847546 1.498330
C -4.960308 -0.096606 0.703427
C -5.138202 -2.782425 -0.845756
C -7.364439 -0.382075 0.414768
H 2.536761 1.331832 1.089024
H 2.541835 -0.427730 -1.430998
H 2.065529 -0.935581 0.206934
H 3.710170 1.851616 -1.717413
H 3.535087 3.111585 -0.435532
H 1.159961 2.714722 -0.526756
H 0.000441 -0.020763 -0.410249
H -0.081088 1.068286 1.002826
H -1.170934 1.670237 -1.824331
H -1.226864 2.807551 -0.454958
H 3.794825 -2.806271 0.029934
H 7.277922 0.751224 0.577632
H 6.148825 -3.462016 0.584894
H 7.906259 -1.676360 0.875591
H -2.847778 -0.157065 -2.001849
H -2.568192 2.180272 1.661747
H -4.707588 1.113415 2.468605
H -5.695911 -3.367162 -1.593105
H -5.668328 -2.783526 0.123703
H -4.123387 -3.204948 -0.718135
H -7.245501 -0.729903 -0.627178
H -7.575028 0.704224 0.425093
H -8.179990 -0.926784 0.914481


