%chk=000091567.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091567

0 1
 O    3.787300      -1.659100      0.3969000    
 O    2.524300       1.185700      -1.181200    
 O    1.222000      -3.262300      -1.480100    
 O   -1.835900      0.6958000     -0.4277000    
 O    3.688700       3.023300     -0.4364000    
 O   -5.199400      0.3756000     -0.9835000    
 O   -3.417000      0.8631000       1.251800    
 C    2.516800      -1.661600     -0.2911000    
 C    1.583600     -0.5596000      0.2277000    
 C   0.2924000      -1.347900      0.6136000    
 C    1.839600      -2.995900     -0.2276000    
 C    1.283500      0.5213000     -0.8332000    
 C    3.836600      -1.484800      -1.018100    
 C   0.7903000      -2.789600      0.8572000    
 C   0.3670000       1.689400     -0.4504000    
 C  -0.5061000     -0.7320000       1.741600    
 C  -0.9033000       1.427800      0.3663000    
 C  -0.7070000      0.7660000       1.736500    
 C    1.365200       2.650300      0.1141000    
 C    2.674700       2.352800     -0.4954000    
 C   -1.068100      -1.453900       2.727900    
 C    1.229200       3.631500       1.009700    
 C   -3.950700     -0.2767000     -0.7531000    
 C   -3.051300      0.4907000      0.1461000    
 C   -4.297400      0.2836000      -2.093700    
 C   -4.065000      -1.733300     -0.5179000    
 H    2.044500     -0.1070000       1.115700    
 H  -0.3661000      -1.393500     -0.2655000    
 H    2.518200      -3.821100      1.2200000E-02
 H   0.9102000      4.4100001E-02  -1.748100    
 H    4.205800      -2.312500      -1.612500    
 H    4.152600     -0.5202000      -1.383500    
 H    1.260600      -2.873400       1.845100    
 H  -2.6000001E-02  -3.515800      0.7842000    
 H   3.6100000E-02   2.133800      -1.403000    
 H   -1.359900       2.412100      0.5453000    
 H   -1.516300       1.046000       2.419700    
 H   0.1790000       1.206200       2.212900    
 H   0.7143000      -4.086100      -1.385200    
 H  -0.9852000      -2.533000       2.781300    
 H   -1.642400     -0.9778000       3.516600    
 H   0.2687000       3.855200       1.460000    
 H    2.070900       4.242500       1.318900    
 H   -3.820200       1.197800      -2.424000    
 H   -4.559300     -0.3950000      -2.895900    
 H   -3.100700      -2.224300     -0.6865000    
 H   -4.372300      -1.936600      0.5134000    
 H   -4.798900      -2.204300      -1.181100    


%chk=000091567-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000091567

0 1
O 4.043701 -1.659638 0.386071
O 2.497427 1.357626 -1.219229
O 1.417365 -2.805159 -1.950719
O -1.848156 0.466468 -0.213629
O 3.507398 3.321112 -0.474941
O -3.826858 0.017237 -2.236427
O -3.580192 1.175289 1.178002
C 2.752690 -1.547073 -0.395801
C 1.709379 -0.556101 0.163327
C 0.473777 -1.467338 0.525908
C 2.062998 -2.889961 -0.619461
C 1.288594 0.538167 -0.839184
C 4.040845 -1.207761 -1.061575
C 1.024935 -2.916422 0.518081
C 0.280111 1.622702 -0.321860
C -0.287483 -1.027895 1.764613
C -0.872305 1.241890 0.624242
C -0.530598 0.471100 1.921705
C 1.204433 2.701948 0.228514
C 2.525069 2.560158 -0.471350
C -0.763937 -1.897754 2.692566
C 0.979825 3.685797 1.132923
C -4.096302 -0.232643 -0.757198
C -3.183474 0.537449 0.174828
C -3.514536 -1.316846 -1.625620
C -5.554233 -0.256140 -0.348686
H 2.141225 -0.085107 1.067453
H -0.229899 -1.386692 -0.329058
H 2.784403 -3.728496 -0.584188
H 0.946130 0.069326 -1.775036
H 4.475155 -1.930584 -1.763452
H 4.301228 -0.157472 -1.213279
H 1.543343 -3.144138 1.469042
H 0.235719 -3.674930 0.364118
H -0.203695 2.039702 -1.230235
H -1.389576 2.176637 0.915265
H -1.347680 0.633130 2.645501
H 0.372075 0.954891 2.349141
H 0.952606 -3.660937 -2.133430
H -0.576167 -2.974675 2.632649
H -1.349617 -1.551723 3.552180
H 0.022060 3.817821 1.647767
H 1.783275 4.393308 1.367942
H -2.446147 -1.549149 -1.557700
H -4.180257 -2.134458 -1.931089
H -5.678168 -0.785830 0.612565
H -5.941415 0.768103 -0.219866
H -6.151470 -0.767639 -1.121389


