%chk=000005089.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005089

0 1
 O  -0.1800000     -0.5134000      0.7479000    
 O  -0.3521000       2.329200      -1.249200    
 O   -2.085700      0.5689000      -3.160000    
 O   -3.483500       2.142600      -1.286100    
 O   -4.544400     -0.2064000       2.730200    
 O    5.225000       2.774200      0.9157000    
 C   0.4241000      6.1799999E-02 -0.4542000    
 C  -0.6777000      0.9523000      -1.163800    
 C   0.6915000      -1.119600      -1.465700    
 C  -0.8186000      0.3521000      -2.570400    
 C  -0.5469000      -1.133800      -2.375800    
 C   -1.831600      0.7543000     -0.2407000    
 C    1.716600      0.7923000     -8.5299999E-02
 C   -1.469400     -7.2600000E-02  0.8038000    
 C    1.088800      -2.438500     -0.8360000    
 C   -3.110700       1.287500     -0.2986000    
 C    2.478200       1.409300      -1.078300    
 C    2.135400      0.8422000       1.245000    
 C   -2.352900     -0.4160000       1.811100    
 C    2.429000      -2.698800     -0.5466000    
 C   0.1153000      -3.394800     -0.5441000    
 C   -4.021900      0.9560000      0.7073000    
 C   -3.644900      0.1060000       1.756600    
 C    3.656900       2.075000     -0.7419000    
 C    3.314100       1.508000       1.581500    
 C    2.795100      -3.913300      3.3500001E-02
 C   0.4816000      -4.609300      3.6200002E-02
 C    4.074800       2.124600      0.5881000    
 C    1.821500      -4.868500      0.3249000    
 C   -4.824100       2.633200      -1.252000    
 C   -4.097400      -1.071000       3.772900    
 C    5.594000       2.786400       2.294000    
 H    1.517200     -0.8459000      -2.139100    
 H  -6.8300001E-02  0.7899000      -3.240900    
 H  -0.3545000      -1.640200      -3.328100    
 H   -1.427500      -1.613100      -1.936800    
 H  -0.9548000       2.741100      -1.891800    
 H   -2.101400      9.0499997E-02  -4.006300    
 H    2.171200       1.388500      -2.120000    
 H    1.572200      0.3742000       2.046600    
 H   -1.990400      -1.073700       2.591800    
 H    3.198700      -1.964800     -0.7690000    
 H  -0.9391000      -3.227400     -0.7323000    
 H   -5.040800       1.328800      0.7383000    
 H    4.244900       2.554200      -1.519900    
 H    3.580700       1.507800       2.632900    
 H    3.838300      -4.115100      0.2586000    
 H  -0.2768000      -5.351500      0.2680000    
 H    2.106400      -5.813600      0.7779000    
 H   -5.006300       3.245000     -0.3620000    
 H   -5.552900       1.822300      -1.358000    
 H   -4.948700       3.288900      -2.120100    
 H   -3.828500      -2.060400       3.387700    
 H   -4.939100      -1.212900       4.458600    
 H   -3.286100     -0.6170000       4.352100    
 H    5.792000       1.775600       2.666500    
 H    4.854100       3.315800       2.903900    
 H    6.532000       3.345600       2.372600    


%chk=000005089-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005089

0 1
O -0.459611 -0.834456 0.515988
O -0.405244 1.989943 -1.829569
O -2.686623 -0.160086 -2.862861
O -3.205023 2.534948 -1.268453
O -4.673333 0.366248 2.835203
O 4.917070 2.664737 1.282296
C 0.278106 -0.171098 -0.638259
C -0.864819 0.673314 -1.391364
C 0.666928 -1.307423 -1.645369
C -1.240087 -0.207615 -2.637559
C -0.675772 -1.614592 -2.352697
C -1.943070 0.746690 -0.338077
C 1.463790 0.601043 -0.082040
C -1.676842 -0.155172 0.695490
C 1.419093 -2.493435 -1.059761
C -3.087279 1.563838 -0.259096
C 2.267292 1.396146 -0.945770
C 1.835773 0.500920 1.276104
C -2.532920 -0.359089 1.794025
C 2.814691 -2.618293 -1.279959
C 0.765007 -3.495063 -0.295430
C -3.985043 1.409028 0.818818
C -3.705274 0.438399 1.819591
C 3.403765 2.064353 -0.462335
C 2.974735 1.171142 1.779209
C 3.541533 -3.711206 -0.756828
C 1.487016 -4.590015 0.227008
C 3.763224 1.954754 0.904483
C 2.878416 -4.704860 -0.001746
C -4.423401 3.347742 -1.295541
C -4.451395 -0.601327 3.911102
C 5.322238 2.588979 2.686384
H 1.335619 -0.815672 -2.381858
H -0.699584 0.241041 -3.499560
H -0.535015 -2.219337 -3.266515
H -1.361067 -2.158046 -1.677610
H -1.215346 2.568331 -1.871464
H -2.887453 -0.624783 -3.713988
H 1.979573 1.524269 -1.993145
H 1.232281 -0.118417 1.945058
H -2.281610 -1.080717 2.573154
H 3.337406 -1.848048 -1.860758
H -0.307260 -3.407062 -0.095251
H -4.890067 2.010328 0.928409
H 4.020502 2.686189 -1.118509
H 3.232567 1.068149 2.837609
H 4.619751 -3.786470 -0.938476
H 0.965553 -5.354164 0.815264
H 3.436996 -5.556622 0.403008
H -4.508204 3.968714 -0.383163
H -5.318375 2.706378 -1.398133
H -4.323092 3.994479 -2.179455
H -4.404436 -1.635440 3.517870
H -5.320683 -0.495929 4.576804
H -3.522894 -0.375124 4.470687
H 5.558077 1.548186 2.983806
H 4.538207 2.994828 3.355585
H 6.228217 3.208945 2.758847


