%chk=000057819.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057819

0 1
 O   -2.070800     -0.2965000      3.9400000E-02
 O    4.169600     -0.4365000      0.1338000    
 O    3.956300       1.577300     -0.9608000    
 C   0.1449000      -1.165900     -0.1711000    
 C  -0.2286000       1.219600     -9.1300003E-02
 C  -0.7283000     -8.2500003E-02 -7.3500000E-02
 C  -0.3710000      -2.567200     -0.1537000    
 C   -1.147400       2.392100      1.2700000E-02
 C    1.517600     -0.9474000     -0.2865000    
 C    1.144200       1.438300     -0.2067000    
 C  -0.4480000      -3.138800       1.268200    
 C   -1.380400       2.818500       1.468100    
 C    2.017300      0.3548000     -0.3043000    
 C   -1.005700      -4.553200       1.281300    
 C   -2.289400       4.033300       1.564500    
 C    3.448500      0.5839000     -0.4236000    
 C   -2.817300     -0.3729000      -1.172500    
 C   -4.242700     -0.6657000     -0.8402000    
 C    5.595900     -0.3254000      7.9999998E-02
 C   -5.264800      0.1342000      -1.163900    
 H   0.2848000      -3.203300     -0.7635000    
 H   -1.351300      -2.644000     -0.6325000    
 H   -2.109500       2.200800     -0.4706000    
 H  -0.7200000       3.235500     -0.5466000    
 H    2.185000      -1.801900     -0.3718000    
 H    1.531800       2.454500     -0.2148000    
 H   0.5487000      -3.140900       1.726200    
 H   -1.082800      -2.500900       1.895300    
 H   -1.826800       1.991600       2.033800    
 H  -0.4226000       3.050400       1.949900    
 H   -1.046900      -4.935400       2.306000    
 H  -0.3767000      -5.227600      0.6915000    
 H   -2.019100      -4.578400      0.8681000    
 H   -2.437800       4.314100       2.611900    
 H   -3.270500       3.823800       1.126400    
 H   -1.854600       4.890600       1.040900    
 H   -2.433700      -1.175900      -1.811400    
 H   -2.726900      0.5610000      -1.738200    
 H   -4.451600      -1.589800     -0.3076000    
 H    6.024700      -1.208200      0.5616000    
 H    5.925200      0.5666000      0.6211000    
 H    5.932300     -0.2927000     -0.9605000    
 H   -5.109800       1.065900      -1.696500    
 H   -6.280100     -0.1365000     -0.8957000    


%chk=000057819-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057819

0 1
O -2.048819 -0.227349 0.033725
O 4.346418 -0.558042 -0.383830
O 4.136096 1.760928 -0.323818
C 0.209684 -1.169629 -0.131545
C -0.136557 1.301163 -0.064581
C -0.641587 -0.029502 -0.078249
C -0.353552 -2.578218 -0.036029
C -1.065416 2.492805 0.098183
C 1.603290 -0.951788 -0.207260
C 1.262309 1.475356 -0.140731
C -0.714257 -2.970251 1.425193
C -1.477953 2.716554 1.580930
C 2.134980 0.361729 -0.219177
C -1.296197 -4.396082 1.520171
C -2.431976 3.917671 1.746118
C 3.596700 0.625407 -0.310411
C -2.756006 -0.327157 -1.278806
C -4.169430 -0.762098 -1.003410
C 5.811188 -0.371217 -0.478594
C -5.267079 -0.135351 -1.492585
H 0.386313 -3.300220 -0.432622
H -1.267734 -2.681712 -0.651059
H -1.989842 2.353285 -0.493250
H -0.567640 3.406137 -0.281189
H 2.288132 -1.803918 -0.254178
H 1.695899 2.481680 -0.139031
H 0.192734 -2.889287 2.055624
H -1.443789 -2.236329 1.815760
H -1.963145 1.794826 1.952847
H -0.566367 2.871012 2.190877
H -1.546062 -4.657210 2.564715
H -0.576544 -5.149203 1.146574
H -2.221033 -4.488470 0.919204
H -2.708743 4.064732 2.806101
H -3.365493 3.763698 1.172457
H -1.964665 4.854090 1.386216
H -2.224669 -1.072509 -1.908272
H -2.726547 0.650981 -1.798910
H -4.271858 -1.658529 -0.376348
H 6.222934 -1.389709 -0.515954
H 6.186224 0.177947 0.401607
H 6.067392 0.195048 -1.390121
H -5.188983 0.769483 -2.108355
H -6.276649 -0.511448 -1.295086


