%chk=000079808.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079808

0 1
 O    3.591500     -0.2718000     -2.3399999E-02
 O   -3.591600     -0.2722000      2.3499999E-02
 O    7.182000      0.2821000     -5.5999998E-03
 O   -7.182100      0.2823000      5.5999998E-03
 N   6.9999998E-04  0.5298000       0.000000    
 C    1.199700     -0.2946000     -2.7799999E-02
 C   -1.199800     -0.2954000      2.7799999E-02
 C    2.448100      0.5728000     -1.2800000E-02
 C   -2.448100      0.5723000      1.2800000E-02
 C    4.796400      0.4815000     -1.0300000E-02
 C   -4.796400      0.4814000      1.0200000E-02
 C    5.975800     -0.4717000      1.8000000E-03
 C   -5.976000     -0.4718000     -1.8000000E-03
 C    8.324000     -0.5625000      2.7300000E-02
 C   -8.324200     -0.5621000     -2.7300000E-02
 H    1.227400     -0.9744000      0.8333000    
 H    1.214800     -0.9256000     -0.9253000    
 H   -1.215000     -0.9341000      0.9200000    
 H   -1.226500     -0.9680000     -0.8389000    
 H   1.7500000E-02   1.139700      0.8170000    
 H    2.466400       1.197300      0.8888000    
 H    2.467200       1.225600     -0.8940000    
 H   -2.464400       1.197000     -0.8887000    
 H   -2.468400       1.224800      0.8943000    
 H    4.831400       1.127400      0.8756000    
 H    4.847400       1.127600     -0.8950000    
 H   -4.831100       1.127200     -0.8756000    
 H   -4.847300       1.127500      0.8950000    
 H    5.931900      -1.107900      0.8942000    
 H    5.936200      -1.127500     -0.8765000    
 H   -5.932300      -1.107800     -0.8943000    
 H   -5.936400      -1.127500      0.8765000    
 H    9.218100      6.6600002E-02  1.7000001E-02
 H    8.345100      -1.213700     -0.8520000    
 H    8.330500      -1.163400      0.9418000    
 H   -9.218200      6.7199998E-02 -1.7000001E-02
 H   -8.345500      -1.213200      0.8520000    
 H   -8.331000      -1.163000     -0.9420000    


%chk=000079808-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000079808

0 1
O 3.657129 -0.277449 0.104927
O -3.656406 -0.277176 0.094355
O 7.264655 0.331138 -0.177335
O -7.263199 0.331671 -0.196581
N 0.000078 0.398120 0.307812
C 1.247618 -0.390165 0.208326
C -1.247216 -0.390037 0.204260
C 2.450890 0.554912 0.113549
C -2.450196 0.555149 0.106953
C 4.880605 0.517300 -0.038887
C -4.879485 0.517683 -0.052207
C 6.046179 -0.469849 -0.029293
C -6.045027 -0.469534 -0.047233
C 8.468305 -0.495161 -0.188828
C -8.466740 -0.494707 -0.212895
H 1.409620 -1.092288 1.060947
H 1.201628 -1.003175 -0.710516
H -1.411588 -1.092842 1.055870
H -1.198738 -1.002287 -0.714963
H -0.001275 0.990035 1.151231
H 2.474981 1.249950 0.985671
H 2.384033 1.165854 -0.811611
H -2.380802 1.166836 -0.817532
H -2.476655 1.249488 0.979572
H 4.984671 1.238966 0.799768
H 4.871071 1.087748 -0.992141
H -4.867050 1.089295 -1.004730
H -4.986165 1.238318 0.787010
H 6.059016 -1.038776 0.925450
H 5.942064 -1.192615 -0.867226
H -5.938997 -1.190740 -0.886271
H -6.059995 -1.040237 0.906420
H 9.318011 0.195706 -0.306182
H 8.460184 -1.215869 -1.034749
H 8.583238 -1.062253 0.760051
H -9.316202 0.196326 -0.331029
H -8.584082 -1.063762 0.734512
H -8.456359 -1.213671 -1.060275


