%chk=000098162.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098162

0 1
 O   0.6073000       2.266000     -0.1733000    
 O   -2.336300     -0.4307000     -0.3148000    
 O   -1.565700       1.238800       1.083500    
 C    2.898600     -0.3858000      0.2318000    
 C    1.939500      -1.584300      0.2277000    
 C   0.5345000      -1.165300      0.6597000    
 C  -2.9300001E-02 -6.1999999E-02 -0.2345000    
 C    2.378500      0.7341000     -0.6717000    
 C   0.9535000       1.093200     -0.3088000    
 C    4.299600     -0.8148000     -0.1987000    
 C   -1.379000      0.3442000      0.2699000    
 C   -3.682400     -0.1478000      8.0499999E-02
 C   -4.618700      -1.085800     -0.6512000    
 H    2.960500     -2.4999999E-03   1.259400    
 H    2.308600      -2.359800      0.9093000    
 H    1.896800      -2.031900     -0.7733000    
 H  -0.1264000      -2.040500      0.6382000    
 H   0.5652000     -0.8258000       1.703800    
 H  -0.1390000     -0.4221000      -1.266200    
 H    2.392400      0.4375000      -1.726700    
 H    3.005000       1.626600     -0.5643000    
 H    4.992200      3.2900002E-02 -0.1663000    
 H    4.689700      -1.591600      0.4675000    
 H    4.298600      -1.212900      -1.219000    
 H   -3.783400     -0.2929000       1.161800    
 H   -3.926500      0.8902000     -0.1716000    
 H   -5.658900     -0.8968000     -0.3718000    
 H   -4.515900     -0.9650000      -1.734700    
 H   -4.375100      -2.128700     -0.4232000    


%chk=000098162-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000098162

0 1
O -0.017342 1.705968 -0.429583
O -2.397100 -0.482626 -0.333740
O -1.704197 -0.166858 1.870065
C 2.938490 -0.213265 0.121549
C 2.316280 -1.542836 0.612999
C 0.887696 -1.350285 1.164738
C -0.052936 -0.700365 0.107435
C 2.010489 0.441139 -0.947606
C 0.583915 0.602705 -0.435860
C 4.361738 -0.411195 -0.439636
C -1.439295 -0.423815 0.674270
C -3.790445 -0.104664 0.061500
C -4.647940 -0.207537 -1.195138
H 2.994831 0.479005 0.988066
H 2.958152 -1.982529 1.400692
H 2.302904 -2.267971 -0.228338
H 0.459733 -2.321016 1.476148
H 0.901365 -0.707600 2.064629
H -0.157095 -1.384611 -0.758799
H 1.995302 -0.217344 -1.842226
H 2.388732 1.431029 -1.257082
H 4.798844 0.546503 -0.777337
H 5.034159 -0.838282 0.327235
H 4.351780 -1.103066 -1.304034
H -4.121771 -0.790693 0.862237
H -3.760664 0.919741 0.473697
H -5.691243 0.071489 -0.959431
H -4.275169 0.472195 -1.979985
H -4.645311 -1.236716 -1.593466


