%chk=000005995.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005995

0 1
 O   -4.062100      0.5951000     -8.2300000E-02
 O    6.695300      0.2303000       1.249300    
 O   -5.493900     -0.6247000       1.254300    
 C  -0.7710000     -0.9550000      0.1540000    
 C   -1.625200      0.2620000     -0.2502000    
 C   0.6471000     -0.8992000     -0.4223000    
 C    1.352500      0.3911000      0.1026000    
 C    2.842100      0.5220000     -0.4001000    
 C  -0.9662000       1.518700      0.3321000    
 C   0.4919000       1.662300     -0.1403000    
 C   -2.957100     -0.1344000      0.4151000    
 C   -1.665100      -2.145300     -0.1839000    
 C    1.459300      -2.140000     -3.1099999E-02
 C   -3.087700      -1.641500      0.1205000    
 C    3.584500     -0.7974000     -0.1518000    
 C   -1.817500      0.4387000      -1.778000    
 C    2.879000      -2.063400     -0.5778000    
 C    3.525700       1.674400      0.3923000    
 C    2.916800      0.8402000      -1.910600    
 C    5.042600       1.670600      0.2873000    
 C    4.810900     -0.8786000      0.3911000    
 C    5.594200      0.3360000      0.7131000    
 C   -5.291800      0.2498000      0.4230000    
 C   -6.357100       1.117100     -0.2056000    
 C   -7.747100      0.7712000      0.2991000    
 H  -0.6666000     -0.9572000       1.252200    
 H   0.5902000     -0.8711000      -1.516000    
 H    1.404300      0.2783000       1.198100    
 H  -0.9732000       1.474100       1.429000    
 H   -1.533400       2.416000      5.6800000E-02
 H   0.4968000       1.926500      -1.202300    
 H   0.9281000       2.515800      0.3904000    
 H   -2.889600      2.4100000E-02   1.500700    
 H   -1.418100      -3.027300      0.4159000    
 H   -1.576900      -2.426400      -1.239200    
 H   0.9800000      -3.044500     -0.4233000    
 H    1.488900      -2.243900       1.061400    
 H   -3.755600      -1.850900     -0.7229000    
 H   -3.489000      -2.171200      0.9918000    
 H   -2.332500     -0.4119000      -2.235400    
 H   -2.419900       1.329900      -1.989700    
 H  -0.8720000      0.5610000      -2.312700    
 H    2.852700      -2.104100      -1.673800    
 H    3.428500      -2.955000     -0.2513000    
 H    3.260000       1.594600       1.455800    
 H    3.157300       2.650000      5.3300001E-02
 H    2.332000      0.1374000      -2.512300    
 H    2.546300       1.847100      -2.129700    
 H    3.947600      0.7929000      -2.281300    
 H    5.450000       2.442400      0.9496000    
 H    5.381200       1.882900     -0.7316000    
 H    5.299400      -1.832000      0.5632000    
 H   -6.134500       2.163100      2.9600000E-02
 H   -6.320300      0.9775000      -1.291100    
 H   -7.816600      0.9065000       1.383600    
 H   -8.495600       1.413800     -0.1746000    
 H   -7.998700     -0.2707000      7.5000003E-02


%chk=000005995-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005995

0 1
O -4.143108 0.389081 -0.268783
O 6.724447 0.491767 1.438280
O -5.413583 -0.224728 1.592025
C -0.756305 -1.116735 0.029386
C -1.659374 0.093700 -0.371078
C 0.689151 -0.992663 -0.490775
C 1.315686 0.325578 0.073667
C 2.820237 0.551403 -0.372538
C -1.057685 1.370835 0.256739
C 0.416755 1.570424 -0.187959
C -2.988095 -0.393148 0.258693
C -1.603158 -2.365124 -0.345171
C 1.546700 -2.207220 -0.071840
C -3.082905 -1.909467 -0.091676
C 3.623967 -0.730037 -0.079124
C -1.827004 0.255933 -1.905323
C 3.015750 -2.046172 -0.528491
C 3.407656 1.745064 0.444948
C 2.933751 0.852933 -1.901845
C 4.947207 1.832372 0.411537
C 4.856723 -0.710241 0.524156
C 5.594426 0.523558 0.860026
C -5.308315 0.392472 0.507607
C -6.381475 1.240846 -0.159315
C -7.695183 1.281542 0.641069
H -0.689008 -1.096327 1.142916
H 0.668488 -0.951075 -1.600646
H 1.352089 0.184409 1.179857
H -1.098147 1.284428 1.363054
H -1.652176 2.263347 -0.019971
H 0.436725 1.830558 -1.263040
H 0.827809 2.444132 0.350727
H -2.973351 -0.254208 1.357119
H -1.333307 -3.246559 0.262255
H -1.449977 -2.640995 -1.405755
H 1.128530 -3.137955 -0.500367
H 1.512319 -2.314024 1.032170
H -3.704405 -2.038187 -0.996303
H -3.567513 -2.471014 0.723800
H -2.220387 -0.660424 -2.379369
H -2.542893 1.068960 -2.115623
H -0.872455 0.503718 -2.399018
H 3.039527 -2.088578 -1.638808
H 3.633643 -2.889122 -0.168730
H 3.084650 1.639473 1.500741
H 2.981977 2.694627 0.071503
H 2.470937 0.061678 -2.517323
H 2.441969 1.809348 -2.153102
H 3.992704 0.930819 -2.206810
H 5.320859 2.650754 1.052064
H 5.303628 2.047886 -0.616801
H 5.381762 -1.649464 0.743570
H -5.968117 2.257667 -0.303489
H -6.544412 0.839712 -1.178149
H -7.531441 1.697180 1.649898
H -8.442246 1.906695 0.120871
H -8.113147 0.268267 0.767541


