%chk=000163345.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163345

0 1
 O   -2.459800       1.853700      3.5300002E-02
 C    2.367500      0.1857000     -0.6324000    
 C    1.192200     -0.3290000      0.1905000    
 C   -1.147700      -1.381100      0.3776000    
 C   -2.434700     -0.5800000      0.1188000    
 C   6.7100003E-02 -0.8523000     -0.3393000    
 C    2.612100       1.684800     -0.4326000    
 C    3.642400     -0.6107000     -0.3444000    
 C    1.315000     -0.2315000       1.692700    
 C   -2.844500     -0.5637000      -1.351300    
 C   -2.309600      0.8241000      0.6852000    
 H    2.131900      4.0700000E-02  -1.695500    
 H   -1.302600      -2.415800      4.5000002E-02
 H  -0.9778000      -1.445200       1.457700    
 H   -3.245200      -1.058100      0.6842000    
 H   1.8100001E-02 -0.9212000      -1.425100    
 H    2.983300       1.917100      0.5704000    
 H    1.692200       2.256800     -0.5961000    
 H    3.359200       2.046100      -1.148200    
 H    3.992200     -0.4671000      0.6835000    
 H    4.449700     -0.2979000      -1.015700    
 H    3.478200      -1.682900     -0.4990000    
 H   0.3984000      0.1479000       2.154600    
 H    2.109400      0.4553000       1.997400    
 H    1.554200      -1.212600       2.116200    
 H   -3.824800     -8.8299997E-02  -1.469400    
 H   -2.138900      8.9999998E-04  -1.969700    
 H   -2.916000      -1.581000      -1.749200    
 H   -2.088100      0.8761000       1.765600    


%chk=000163345-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163345

0 1
O -2.527976 1.917706 0.126188
C 2.336775 0.132299 -0.610784
C 1.175573 -0.346120 0.274384
C -1.181692 -1.425054 0.360030
C -2.456074 -0.554489 0.070547
C 0.074586 -0.904469 -0.311149
C 2.611482 1.651380 -0.443146
C 3.635251 -0.684923 -0.367439
C 1.337577 -0.146835 1.772129
C -2.854710 -0.491463 -1.415902
C -2.267856 0.827910 0.687667
H 2.032977 -0.036596 -1.664036
H -1.398355 -2.450680 -0.000447
H -1.045165 -1.500631 1.455528
H -3.286140 -1.023622 0.649755
H 0.078667 -0.984667 -1.409019
H 2.987375 1.884368 0.570639
H 1.695784 2.245557 -0.615472
H 3.379707 1.984507 -1.165693
H 4.036297 -0.516774 0.649576
H 4.419495 -0.381223 -1.085809
H 3.454627 -1.768084 -0.491352
H 0.532910 -0.621992 2.356481
H 1.344013 0.930409 2.028936
H 2.298310 -0.564299 2.127559
H -3.783611 0.089278 -1.548080
H -2.073228 0.008181 -2.013295
H -3.012472 -1.507945 -1.819886
H -1.870727 0.809071 1.738892


