%chk=000031306.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031306

0 1
 O   -3.120800      0.3429000      0.9715000    
 O   -1.328200      -1.530000      -1.479800    
 O  -0.1191000       2.739500      0.4720000    
 O    1.828600      0.2797000      -1.611700    
 O   -3.024900      -2.355100     -0.1461000    
 O    2.585200       2.256400     -0.7176000    
 C   -1.133100      0.7059000     -0.5239000    
 C   -2.054900     -0.2133000      0.2107000    
 C  -0.2084000       1.318700      0.5954000    
 C   -1.928200     -4.5200001E-02   1.671400    
 C  -0.4786000     -0.3420000      -1.488700    
 C  -0.9391000       1.035200       1.948000    
 C    1.215700      0.7225000      0.6081000    
 C   0.9553000     -0.7636000      -1.137500    
 C    1.209300     -0.7824000      0.3624000    
 C   -2.225000      -1.487600     -0.4530000    
 C   -1.924300       1.747400      -1.324700    
 C    1.971900       1.206500     -0.6143000    
 C    2.518100      -1.430400      0.7127000    
 C    2.900700      -1.407100       2.162800    
 C    3.299800      -1.997900     -0.2179000    
 H   -1.948600     -0.8829000       2.347800    
 H  -0.4888000      3.9099999E-02  -2.517700    
 H   -1.454800       1.928800       2.319300    
 H  -0.2361000      0.7202000       2.726900    
 H    1.770400       1.032300       1.498700    
 H    1.165400      -1.705500      -1.652400    
 H   0.4239000      -1.314600      0.9071000    
 H   -2.481400       2.423800     -0.6670000    
 H   -1.260700       2.349600      -1.954000    
 H   -2.658700       1.267100      -1.982000    
 H   0.2586000       2.953100     -0.3971000    
 H    3.152200     -0.3948000       2.491200    
 H    2.078200      -1.781800       2.780900    
 H    3.771500      -2.040700       2.363700    
 H    4.239500      -2.455400      8.2699999E-02
 H    3.104400      -2.048000      -1.279000    


%chk=000031306-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031306

0 1
O -3.147083 0.480257 1.097532
O -1.368034 -1.659355 -1.384424
O -0.137159 2.818272 0.452626
O 1.780976 0.269060 -1.825980
O -3.117392 -2.447406 -0.056952
O 2.400260 2.388490 -1.093197
C -1.155689 0.666673 -0.530935
C -2.089357 -0.209746 0.313101
C -0.180616 1.365813 0.561044
C -1.879075 0.005987 1.783735
C -0.526808 -0.417058 -1.499365
C -0.818796 1.076046 1.966649
C 1.273832 0.781525 0.465460
C 0.931553 -0.821447 -1.215390
C 1.261160 -0.767706 0.289524
C -2.319082 -1.544933 -0.334274
C -1.933561 1.715115 -1.353239
C 1.912057 1.269951 -0.846853
C 2.566273 -1.433013 0.726972
C 2.659320 -1.709268 2.217001
C 3.569627 -1.743146 -0.134576
H -2.053957 -0.785324 2.519623
H -0.602788 -0.097628 -2.551916
H -1.263630 2.016703 2.333260
H -0.055890 0.755568 2.698479
H 1.862933 1.145656 1.321958
H 1.196286 -1.760108 -1.722317
H 0.433595 -1.224085 0.866236
H -2.488340 2.395538 -0.690344
H -1.243653 2.320356 -1.966942
H -2.651209 1.214058 -2.028673
H 0.586092 3.114723 -0.164424
H 2.508906 -0.786329 2.812239
H 1.877610 -2.426397 2.537278
H 3.640738 -2.129388 2.491581
H 4.492243 -2.214281 0.222277
H 3.513657 -1.532773 -1.207874


