%chk=000077076.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077076

0 1
 O    2.228400     -0.3853000     -0.4012000    
 O    3.129900      0.8617000       1.318900    
 C   -2.855000     -0.1303000      0.8531000    
 C   -2.987000      0.6425000     -0.4621000    
 C   -3.023300      -1.647600      0.6843000    
 C   -2.817400       2.157300     -0.3083000    
 C   -2.015900      -2.321000     -0.2557000    
 C   -1.459500       2.628700      0.2261000    
 C  -0.5711000      -2.263200      0.2498000    
 C  -0.2612000       2.040900     -0.5238000    
 C   0.4146000      -2.656400     -0.8527000    
 C    1.051900       2.702600     -9.5500000E-02
 C    1.864700      -2.788200     -0.3745000    
 C    2.271300       1.965800     -0.6452000    
 C    2.418100      -1.578600      0.3742000    
 C    2.611500      0.7711000      0.2125000    
 H   -1.893800      8.0700003E-02   1.330800    
 H   -3.624700      0.2248000       1.549900    
 H   -3.979600      0.4486000     -0.8876000    
 H   -2.263500      0.2816000      -1.199300    
 H   -2.961700      -2.119400       1.672600    
 H   -4.034200      -1.847900      0.3076000    
 H   -3.606400       2.545800      0.3473000    
 H   -2.980900       2.617400      -1.291200    
 H   -2.301000      -3.374700     -0.3697000    
 H   -2.087600      -1.883000      -1.256800    
 H   -1.377900       2.381600       1.291300    
 H   -1.430200       3.723700      0.1618000    
 H  -0.3302000      -1.254600      0.5945000    
 H  -0.4618000      -2.933400       1.110600    
 H  -0.3953000       2.171700      -1.604400    
 H  -0.2060000      0.9651000     -0.3329000    
 H   0.1106000      -3.614000      -1.293300    
 H   0.3660000      -1.914000      -1.659200    
 H    1.104400       2.755900      0.9988000    
 H    1.061100       3.734100     -0.4679000    
 H    1.959300      -3.673500      0.2654000    
 H    2.487200      -2.967900      -1.259900    
 H    3.147800       2.624300     -0.6318000    
 H    2.127800       1.662000      -1.688100    
 H    1.917000      -1.471400       1.343200    
 H    3.490500      -1.722600      0.5509000    


%chk=000077076-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077076

0 1
O 2.406981 -0.464199 -0.424455
O 2.597012 0.810133 1.518385
C -2.832827 -0.115572 0.876355
C -3.046984 0.689397 -0.427555
C -3.009171 -1.647774 0.698967
C -2.884679 2.223771 -0.276771
C -1.991958 -2.317651 -0.262178
C -1.492699 2.694818 0.221919
C -0.531044 -2.332304 0.252078
C -0.301412 2.113329 -0.574372
C 0.475808 -2.677781 -0.870324
C 1.044527 2.786027 -0.213052
C 1.939200 -2.872945 -0.404503
C 2.277937 1.944843 -0.646041
C 2.512696 -1.706890 0.405606
C 2.453162 0.746803 0.273859
H -1.826197 0.097195 1.286950
H -3.554369 0.240397 1.640557
H -4.064946 0.474769 -0.814559
H -2.344556 0.331425 -1.205051
H -2.940396 -2.137136 1.692749
H -4.035653 -1.843970 0.325072
H -3.660595 2.607820 0.417288
H -3.086471 2.693565 -1.261874
H -2.311555 -3.362074 -0.455977
H -2.021353 -1.806772 -1.245790
H -1.363439 2.432041 1.291128
H -1.457979 3.802990 0.173660
H -0.278149 -1.340422 0.674564
H -0.440024 -3.059770 1.085920
H -0.487189 2.219756 -1.663395
H -0.229768 1.024315 -0.380871
H 0.146564 -3.605306 -1.381815
H 0.447359 -1.872399 -1.629819
H 1.105196 2.948291 0.880686
H 1.100950 3.784202 -0.688564
H 2.012601 -3.774654 0.238273
H 2.581929 -3.056558 -1.287017
H 3.192880 2.561881 -0.562497
H 2.183770 1.604619 -1.691163
H 1.970620 -1.536632 1.352124
H 3.581122 -1.860679 0.644004


