%chk=000108258.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108258

0 1
 O  -0.6363000      0.4839000     -0.3675000    
 O   -1.875000      -1.456000     -0.2399000    
 O   -4.529600      -1.117000      5.2099999E-02
 C    1.830000      0.6214000     -0.5351000    
 C    2.950100     -0.3686000     -9.2699997E-02
 C    2.201200     -0.6848000       1.229500    
 C   0.5551000     -0.2741000     -0.4850000    
 C    1.759800       1.615600      0.6585000    
 C   0.8014000      -1.148300      0.7587000    
 C    2.004300      0.7056000       1.874100    
 C    2.013600       1.323500      -1.867400    
 C    3.153300      -1.592400      -1.008900    
 C    4.347900      0.2503000      0.1076000    
 C   -1.800400     -0.2356000     -0.2498000    
 C   -2.962000      0.7179000     -0.1154000    
 C   -4.333300      9.6699998E-02  5.9700001E-02
 C   -5.480000       1.062000      0.2216000    
 H    2.692200      -1.401900       1.891600    
 H   0.4799000     -0.8883000      -1.390800    
 H   0.7999000       2.136800      0.7317000    
 H    2.533300       2.389000      0.5940000    
 H   0.8236000      -2.209000      0.4856000    
 H   5.3100001E-02  -1.025500       1.548700    
 H    2.896400       1.022500       2.424500    
 H    1.162500      0.7287000       2.574200    
 H    2.930800       1.921000      -1.880100    
 H    2.071400      0.6051000      -2.691500    
 H    1.175200       1.997900      -2.072300    
 H    3.840200      -2.307000     -0.5404000    
 H    2.242300      -2.146600      -1.242600    
 H    3.592200      -1.289200      -1.966200    
 H    4.360800       1.153200      0.7216000    
 H    5.017200     -0.4698000      0.5926000    
 H    4.792600      0.5204000     -0.8570000    
 H   -2.994400       1.335900      -1.019100    
 H   -2.775200       1.348700      0.7607000    
 H   -6.412200      0.5077000      0.3618000    
 H   -5.566900       1.680800     -0.6748000    
 H   -5.309200       1.690100       1.099400    


%chk=000108258-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108258

0 1
O -0.796076 -0.342070 0.674543
O -1.817992 -1.685006 -0.953906
O -2.471144 1.722336 -1.197483
C 1.402119 0.264857 -0.421914
C 2.869267 -0.281311 -0.135909
C 2.660778 -0.283670 1.426022
C 0.568639 -0.838308 0.307917
C 1.353150 1.547519 0.475001
C 1.381422 -1.158575 1.597826
C 2.243716 1.187874 1.717653
C 0.982645 0.501208 -1.875455
C 3.169294 -1.678434 -0.736994
C 3.988014 0.670163 -0.622738
C -1.877158 -0.804748 -0.066259
C -3.143061 -0.070059 0.341856
C -3.370352 1.215678 -0.482946
C -4.764531 1.818176 -0.377567
H 3.524440 -0.636166 2.015668
H 0.416071 -1.715145 -0.344344
H 0.313369 1.788311 0.749970
H 1.751669 2.414208 -0.081932
H 1.610396 -2.235846 1.670785
H 0.809007 -0.877194 2.498949
H 3.124213 1.850533 1.795789
H 1.689276 1.268658 2.669991
H 1.648757 1.236522 -2.364375
H 1.005320 -0.432897 -2.467299
H -0.046984 0.901803 -1.920588
H 4.199732 -1.987997 -0.478612
H 2.490426 -2.472864 -0.384599
H 3.100962 -1.647091 -1.840766
H 3.839562 1.717347 -0.312796
H 4.967354 0.337729 -0.228384
H 4.053716 0.654700 -1.726944
H -3.089106 0.220733 1.407885
H -4.013823 -0.737137 0.212722
H -4.758105 2.857205 -0.741330
H -5.147109 1.779410 0.658182
H -5.462073 1.230147 -1.005919


