%chk=000139421.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139421

0 1
 O  -0.8278000       1.049700      -1.364200    
 O    2.532300      0.1945000      0.7881000    
 O    1.960800       1.050100      -1.277100    
 C   -3.370300      0.4260000      0.3034000    
 C  -0.7856000      0.6221000     -2.3000001E-03
 C   -2.049700       1.125200      0.7190000    
 C   -1.967000      -1.596200     -0.4600000    
 C   -3.192300      -1.108600      0.3272000    
 C  -0.6904000     -0.9104000      4.8000000E-02
 C   0.4619000       1.252100      0.6268000    
 C   -4.466600      0.8122000       1.319500    
 C   -3.850800      0.8942000      -1.084100    
 C   -1.834300      -3.116200     -0.3501000    
 C    1.716400      0.8406000     -9.6900001E-02
 C    3.777800     -0.2664000      0.2544000    
 C    4.557400      0.9382000     -0.2707000    
 C    4.540600     -0.9472000       1.388900    
 C    3.487500      -1.259800     -0.8698000    
 H   -2.157300       2.207800      0.5674000    
 H   -1.907100      0.9761000       1.798600    
 H   -2.100600      -1.358000      -1.522000    
 H   -4.096200      -1.593700     -6.4099997E-02
 H   -3.094300      -1.442800       1.369700    
 H  -0.4862000      -1.235600       1.076800    
 H   0.1434000      -1.258300     -0.5745000    
 H   0.5346000      0.9864000       1.688700    
 H   0.4219000       2.347500      0.5766000    
 H   -4.195400      0.5036000       2.335400    
 H   -4.627800       1.896200       1.333500    
 H   -5.421600      0.3343000       1.073300    
 H   -3.179700      0.5936000      -1.891800    
 H   -4.835600      0.4729000      -1.318300    
 H   -3.943800       1.985500      -1.119500    
 H   -1.693300      -3.431000      0.6895000    
 H   -2.731000      -3.612700     -0.7357000    
 H  -0.9777000      -3.474000     -0.9311000    
 H  -0.8974000       2.019500      -1.375400    
 H    5.610100      0.6737000     -0.4267000    
 H    4.205900       1.322800      -1.231500    
 H    4.523000       1.769700      0.4428000    
 H    3.961000      -1.781600       1.800400    
 H    4.709000     -0.2493000       2.217000    
 H    5.510700      -1.330300       1.056000    
 H    2.722100      -1.982800     -0.5646000    
 H    3.144700     -0.8050000      -1.802300    
 H    4.393900      -1.820200      -1.128300    


%chk=000139421-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000139421

0 1
O -0.957006 1.058402 -1.371330
O 2.733453 0.247399 0.758356
O 1.766457 0.464261 -1.361944
C -3.490253 0.506948 0.407173
C -0.883622 0.473873 -0.014582
C -2.076150 1.040879 0.793428
C -2.315342 -1.576724 -0.618123
C -3.443270 -1.046605 0.298476
C -0.949668 -1.074656 -0.095606
C 0.443447 0.944412 0.663751
C -4.481915 0.901631 1.534132
C -3.986199 1.137066 -0.923391
C -2.340826 -3.117042 -0.709194
C 1.692497 0.531889 -0.100960
C 4.127207 -0.148376 0.240643
C 4.699608 1.009919 -0.598905
C 4.906168 -0.338491 1.552357
C 4.013288 -1.464576 -0.552265
H -2.062214 2.144429 0.698055
H -1.896708 0.801223 1.862847
H -2.458124 -1.159585 -1.634717
H -4.426017 -1.413849 -0.061321
H -3.295744 -1.475719 1.314476
H -0.775446 -1.499782 0.916291
H -0.135797 -1.443106 -0.751154
H 0.519388 0.576845 1.700972
H 0.428633 2.052570 0.702440
H -4.197299 0.444435 2.501712
H -4.511008 1.999734 1.670757
H -5.507475 0.565873 1.288417
H -3.273852 0.966472 -1.745399
H -4.974289 0.720016 -1.199353
H -4.098996 2.232371 -0.810928
H -2.191947 -3.575530 0.288491
H -3.309397 -3.478047 -1.103349
H -1.542446 -3.494530 -1.376036
H -0.080706 0.861203 -1.813261
H 5.746465 0.779373 -0.868795
H 4.122668 1.156226 -1.525104
H 4.695322 1.949102 -0.017847
H 4.446249 -1.130199 2.168247
H 4.917376 0.596521 2.138306
H 5.949031 -0.626617 1.329523
H 3.517038 -2.241823 0.055478
H 3.445461 -1.319339 -1.484102
H 5.027162 -1.824077 -0.806661


