%chk=000100938.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100938

0 1
 O   -2.481800      0.3246000     -0.2491000    
 O   -4.037700       1.790900      0.6263000    
 C   0.2827000     -0.2879000     -0.2899000    
 C    1.626100     -0.1426000      0.3999000    
 C   0.3730000     -0.2073000       1.215100    
 C   0.1055000      -1.762300     -0.6662000    
 C   0.9254000      -2.316700      0.5746000    
 C    2.267500      -1.518500      0.4972000    
 C   0.2641000      -1.598300       1.791900    
 C    2.451900       1.118400      0.2755000    
 C  -0.3124000      0.8208000      -1.117700    
 C    1.567000       2.299000     -0.2048000    
 C   0.7076000       1.931900      -1.417600    
 C   -1.358200      -2.216300     -0.6733000    
 C   0.7421000      -2.116000      -2.016600    
 C    3.608000      0.9061000     -0.7248000    
 C    3.065400       1.484600       1.640000    
 C   -1.586400       1.392500     -0.4881000    
 C   -3.684200      0.6611000      0.3171000    
 C   -4.525600     -0.5640000      0.5104000    
 H   1.9500000E-02  0.6183000       1.801100    
 H    1.018900      -3.400600      0.6520000    
 H    2.867900      -1.631500       1.406100    
 H    2.871600      -1.786900     -0.3717000    
 H  -0.7654000      -1.901200       1.988900    
 H   0.8531000      -1.704400       2.708900    
 H  -0.6104000      0.3948000      -2.084600    
 H    2.198500       3.159400     -0.4600000    
 H   0.9107000       2.637100      0.6071000    
 H   0.1912000       2.827500      -1.783800    
 H    1.357400       1.605900      -2.238200    
 H   -1.907700      -1.773900      -1.511100    
 H   -1.409100      -3.304600     -0.7976000    
 H   -1.899300      -1.982900      0.2438000    
 H    1.712700      -1.637000      -2.173200    
 H   0.8738000      -3.199100      -2.111400    
 H   0.1074000      -1.784600      -2.846500    
 H    3.250300      0.5252000      -1.686900    
 H    4.335400      0.1796000     -0.3445000    
 H    4.150200       1.840100     -0.9100000    
 H    3.671400       2.394900       1.570100    
 H    3.708900      0.6814000       2.016200    
 H    2.289800       1.657400       2.394400    
 H   -2.050000       2.109300      -1.176900    
 H   -1.370000       1.908800      0.4537000    
 H   -4.088000      -1.193100       1.289000    
 H   -4.604600      -1.114100     -0.4308000    
 H   -5.532200     -0.2670000      0.8184000    


%chk=000100938-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100938

0 1
O -2.671139 0.419858 -0.344036
O -3.893333 1.941428 0.932185
C 0.273337 -0.347815 -0.284030
C 1.662365 -0.143680 0.406048
C 0.374789 -0.277983 1.261158
C 0.180015 -1.858645 -0.658247
C 1.035227 -2.384908 0.562231
C 2.335880 -1.530911 0.476260
C 0.343829 -1.718855 1.794641
C 2.459006 1.163500 0.281269
C -0.361135 0.765932 -1.130046
C 1.517994 2.298619 -0.236859
C 0.681918 1.877860 -1.467418
C -1.259747 -2.425146 -0.668484
C 0.822816 -2.166504 -2.034220
C 3.639276 0.973946 -0.714428
C 3.043087 1.575922 1.659443
C -1.590326 1.435049 -0.491669
C -3.784146 0.809784 0.406018
C -4.790486 -0.318647 0.488825
H -0.033833 0.561652 1.829361
H 1.168413 -3.477444 0.603867
H 2.962458 -1.651873 1.381047
H 2.956560 -1.767393 -0.403719
H -0.673352 -2.095706 1.994987
H 0.946977 -1.841020 2.714101
H -0.702584 0.319221 -2.085908
H 2.138983 3.180759 -0.488905
H 0.842486 2.619132 0.582449
H 0.163257 2.761851 -1.889874
H 1.359105 1.504111 -2.258052
H -1.845049 -1.986079 -1.496360
H -1.237212 -3.523493 -0.808412
H -1.809927 -2.199772 0.258886
H 1.821965 -1.713061 -2.150908
H 0.921202 -3.258668 -2.184097
H 0.186572 -1.780179 -2.853335
H 3.294193 0.632030 -1.707472
H 4.359114 0.226079 -0.335309
H 4.184574 1.927176 -0.850004
H 3.613204 2.521471 1.577540
H 3.728478 0.800759 2.050161
H 2.238569 1.723463 2.403030
H -1.978017 2.244552 -1.138706
H -1.376900 1.864695 0.502947
H -4.385664 -1.135695 1.112782
H -4.986150 -0.736761 -0.512615
H -5.724650 0.050188 0.936274


