%chk=000131003.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131003

0 1
 O    3.345100     -0.8877000       1.084000    
 O   1.1600000E-02  -1.835700     -0.7420000    
 O    2.405600       2.573700      -1.294400    
 O    2.862200      -2.205500     -0.7273000    
 C    1.651300     -0.1295000     -0.3702000    
 C    2.112900       1.024100      0.5139000    
 C   0.2598000     -0.6335000     -1.3100000E-02
 C  -0.8551000      0.3565000     -0.3637000    
 C    2.802100      0.3065000       1.657500    
 C   -2.250700     -0.1260000      3.7999999E-02
 C    2.672800      -1.195900     -6.6000000E-02
 C    3.092700       1.935400     -0.2308000    
 C   -3.317000      0.9197000     -0.3063000    
 C   -4.752500      0.4594000      9.3999999E-03
 C   -5.122600     -0.8390000     -0.7092000    
 C   -4.918100      0.2774000       1.520400    
 H    1.718700      0.1080000      -1.438100    
 H    1.293100       1.645500      0.8855000    
 H   0.2020000     -0.8947000       1.049900    
 H  -0.8502000      0.5372000      -1.446700    
 H  -0.6736000       1.321400      0.1204000    
 H    3.607900      0.8921000       2.110200    
 H    2.098000      1.6100001E-02   2.444800    
 H   -2.254000     -0.3344000       1.113100    
 H   -2.458900      -1.066900     -0.4805000    
 H    3.935400       1.378100     -0.6526000    
 H    3.495900       2.707800      0.4326000    
 H   -3.105300       1.852800      0.2307000    
 H   -3.254700       1.155500      -1.376400    
 H   -5.438400       1.248900     -0.3222000    
 H   5.9900001E-02  -1.627600      -1.690800    
 H   -6.191800      -1.045200     -0.5879000    
 H   -4.580800      -1.704300     -0.3149000    
 H   -4.919400     -0.7622000      -1.782300    
 H   -4.343300     -0.5712000       1.904200    
 H   -4.607900       1.177400       2.061600    
 H   -5.970300      9.2799999E-02   1.764400    
 H    1.677600       3.090000     -0.9084000    


%chk=000131003-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131003

0 1
O 3.666525 -1.004588 0.959906
O -0.059521 -1.849296 -0.901523
O 1.723514 2.606598 -1.200450
O 2.656578 -2.547466 -0.437102
C 1.715492 -0.243622 -0.252997
C 2.210538 0.942553 0.615198
C 0.248397 -0.739352 0.001698
C -0.804026 0.347383 -0.275254
C 3.363612 0.357734 1.486408
C -2.243961 -0.136820 0.002799
C 2.692265 -1.388603 0.028959
C 2.722926 2.122656 -0.244364
C -3.289796 0.958209 -0.310644
C -4.773320 0.575249 -0.037279
C -5.238458 -0.621423 -0.902351
C -5.044422 0.310863 1.464301
H 1.762815 0.012366 -1.328922
H 1.398522 1.308356 1.271616
H 0.166756 -1.076946 1.063078
H -0.706495 0.658495 -1.334012
H -0.593444 1.237026 0.354683
H 4.299209 0.938499 1.414918
H 3.087890 0.235578 2.546947
H -2.323684 -0.445751 1.064993
H -2.426466 -1.039157 -0.606958
H 3.568799 1.796005 -0.874644
H 3.075619 2.944943 0.414963
H -3.049120 1.868499 0.280881
H -3.190479 1.244947 -1.378844
H -5.382576 1.456438 -0.333244
H 0.708571 -2.488129 -0.904514
H -6.323656 -0.796740 -0.780338
H -4.715714 -1.551966 -0.614211
H -5.040552 -0.441163 -1.975729
H -4.515116 -0.594661 1.815027
H -4.713172 1.162608 2.088535
H -6.124047 0.154984 1.647148
H 0.929995 2.942694 -0.711878


