%chk=000129429.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129429

0 1
 O   0.5935000       3.106200       1.729000    
 O    1.524800       3.546800     -0.9205000    
 O   -6.783200      -1.223700     -6.1799999E-02
 C    2.717500      0.3283000      0.2623000    
 C    2.311100       1.567200       1.069700    
 C    4.163700     -7.5000003E-02  0.5612000    
 C   0.8715000       2.035600      0.8191000    
 C    4.561900      -1.333800     -0.2131000    
 C   0.5692000       2.525300     -0.6080000    
 C    5.997200      -1.753000      0.1120000    
 C    6.436000      -3.026800     -0.6138000    
 C  -0.8436000       3.075600     -0.8407000    
 C    7.884300      -3.408900     -0.3492000    
 C   -1.892000       2.058800     -0.6589000    
 C   -2.748200       1.231000     -0.5084000    
 C   -3.724600      0.2833000     -0.3331000    
 C   -5.138700      -2.960600      0.2440000    
 C   -4.577800     -0.5468000     -0.1787000    
 C   -5.604000      -1.546500      6.8000001E-03
 C   -6.318500      -3.882900      0.4822000    
 H    2.041800     -0.5011000      0.5028000    
 H    2.620100      0.5286000     -0.8102000    
 H    3.009400       2.390100      0.8706000    
 H    2.424400       1.351600       2.140800    
 H    4.838100      0.7487000      0.2975000    
 H    4.278200     -0.2556000       1.637000    
 H   0.1955000       1.212000       1.078800    
 H    4.467100      -1.151300      -1.290200    
 H    3.877500      -2.153000      3.8300000E-02
 H   0.7438000       1.706400      -1.314800    
 H    6.096300      -1.907400       1.193600    
 H    6.678800     -0.9354000     -0.1544000    
 H    6.300000      -2.893800      -1.693800    
 H    5.787600      -3.857900     -0.3121000    
 H   -1.033800       3.939000     -0.1925000    
 H  -0.9009000       3.473000      -1.862300    
 H  -0.3720000       3.201200       1.788000    
 H    8.563400      -2.615900     -0.6780000    
 H    8.052200      -3.584400      0.7180000    
 H    8.141300      -4.324600     -0.8906000    
 H    1.382700       4.281000     -0.2987000    
 H   -4.477800      -2.973600       1.117200    
 H   -4.573300      -3.297600     -0.6312000    
 H   -5.970400      -4.904900      0.6625000    
 H   -6.901500      -3.564300       1.352900    
 H   -6.989200      -3.901300     -0.3834000    


%chk=000129429-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129429

0 1
O 0.932440 3.892941 1.534036
O 1.399414 4.153002 -1.125711
O -5.438759 -2.049230 1.686920
C 2.586664 0.657762 0.278921
C 2.408322 2.061020 0.902548
C 3.979234 0.051849 0.567683
C 0.985753 2.621483 0.751701
C 4.177062 -1.338683 -0.075278
C 0.618869 2.992139 -0.710703
C 5.562038 -1.959085 0.218166
C 5.759368 -3.346314 -0.434082
C -0.905529 3.312766 -0.896269
C 7.143151 -3.962100 -0.133341
C -1.777334 2.176680 -0.590550
C -2.472622 1.180867 -0.321761
C -3.242205 0.091799 -0.022169
C -4.745418 -3.223350 -0.362663
C -3.938312 -0.905270 0.251879
C -4.759371 -2.047001 0.616542
C -5.617373 -4.405119 0.092283
H 1.805643 -0.027744 0.671273
H 2.439916 0.705262 -0.819017
H 3.123906 2.771868 0.446170
H 2.637531 2.017595 1.984474
H 4.764386 0.743456 0.197944
H 4.124789 -0.026848 1.665146
H 0.249815 1.893303 1.149358
H 4.038199 -1.256493 -1.173733
H 3.384608 -2.026709 0.287457
H 0.893594 2.173104 -1.395987
H 5.700398 -2.049262 1.316063
H 6.356711 -1.271100 -0.139236
H 5.623814 -3.254818 -1.531190
H 4.963069 -4.032119 -0.078901
H -1.166944 4.185164 -0.263316
H -1.045188 3.633113 -1.946069
H 0.060432 3.974893 1.992886
H 7.956216 -3.309487 -0.503972
H 7.290127 -4.093371 0.955504
H 7.260097 -4.952097 -0.611458
H 1.444980 4.744971 -0.323072
H -3.689610 -3.533484 -0.504505
H -5.070505 -2.841771 -1.352616
H -5.571960 -5.225194 -0.645950
H -5.280045 -4.791958 1.069037
H -6.669970 -4.096831 0.211457


