%chk=000112798.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112798

0 1
 O    1.550900     -0.5117000     -0.3532000    
 O  -0.6533000     -0.9973000      -1.021300    
 O  -0.1256000       1.147700     -0.1188000    
 C   0.3445000      4.5600001E-02 -0.9203000    
 C   0.6253000      0.4944000      -2.377700    
 C    2.500700      0.4378000      0.1116000    
 C   -1.043900      -1.540800      0.2336000    
 C   -1.327300       1.766500     -0.5544000    
 C    3.703800     -0.3055000      0.6747000    
 C   -2.090100      -2.620800     -2.4999999E-03
 C   -1.937100       2.531600      0.6115000    
 C    1.079300     -0.6386000      -3.292900    
 C    4.761200      0.6565000       1.208700    
 C   -2.567900      -3.238700       1.308500    
 C   -3.245300       3.211300      0.2169000    
 C    5.941500     -9.0200000E-02   1.809100    
 C   -3.643700      -4.286400       1.071000    
 C   -3.872900       3.938400       1.395400    
 H    1.373100       1.294700      -2.392800    
 H  -0.2838000      0.9164000      -2.821600    
 H    2.817700       1.088800     -0.7090000    
 H    2.057800       1.053100      0.9024000    
 H  -0.1736000      -1.975900      0.7371000    
 H   -1.461800     -0.7563000      0.8731000    
 H   -1.095400       2.461500      -1.368400    
 H   -2.046300       1.025700     -0.9205000    
 H    3.370000     -0.9831000       1.470600    
 H    4.132800     -0.9475000     -0.1049000    
 H   -2.937700      -2.188400     -0.5493000    
 H   -1.673600      -3.395100     -0.6589000    
 H   -2.106300       1.841200       1.447400    
 H   -1.217200       3.274200      0.9775000    
 H    2.004600      -1.094700      -2.928100    
 H   0.3170000      -1.419300      -3.374700    
 H    1.270000     -0.2523000      -4.299400    
 H    5.117600       1.304600      0.3995000    
 H    4.321900       1.305900       1.974800    
 H   -1.723000      -3.700800       1.832100    
 H   -2.968500      -2.457400       1.964900    
 H   -3.063500       3.926500     -0.5937000    
 H   -3.954100       2.465400     -0.1612000    
 H    6.423900     -0.7275000       1.061100    
 H    6.687200      0.6180000       2.183800    
 H    5.622600     -0.7215000       2.644700    
 H   -3.267200      -5.099300      0.4419000    
 H   -3.970200      -4.716800       2.022800    
 H   -4.517600      -3.847200      0.5793000    
 H   -3.202200       4.713300       1.780300    
 H   -4.807600       4.419100       1.090200    
 H   -4.098800       3.243300       2.210300    


%chk=000112798-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112798

0 1
O 1.518925 -0.491885 -0.341488
O -0.599302 -1.079175 -1.090575
O -0.169397 1.088342 -0.139702
C 0.337789 0.005441 -1.013086
C 0.594612 0.485855 -2.456367
C 2.571711 0.499941 -0.030392
C -0.846328 -1.797014 0.187849
C -1.418124 1.736499 -0.591920
C 3.656288 -0.235933 0.761930
C -2.169315 -2.552685 0.035095
C -2.029177 2.455447 0.615767
C 1.315545 -0.569305 -3.317676
C 4.833937 0.692161 1.141198
C -2.507793 -3.387734 1.292369
C -3.307619 3.242695 0.243264
C 5.936393 -0.046947 1.930321
C -3.837705 -4.159248 1.151743
C -3.939139 3.953541 1.459639
H 1.183160 1.421445 -2.406552
H -0.380509 0.737274 -2.911654
H 2.991610 0.910914 -0.974177
H 2.131268 1.328524 0.554066
H -0.003473 -2.488290 0.372323
H -0.885906 -1.060430 1.013339
H -1.193651 2.464109 -1.400745
H -2.110591 0.966466 -0.989131
H 3.201584 -0.662116 1.677112
H 4.027620 -1.089272 0.161620
H -2.983510 -1.828938 -0.167061
H -2.106192 -3.217082 -0.849027
H -2.259298 1.709698 1.401394
H -1.275280 3.145750 1.042491
H 2.296983 -0.830816 -2.884847
H 0.715736 -1.493372 -3.371540
H 1.475420 -0.190932 -4.343805
H 5.270736 1.130587 0.220445
H 4.454295 1.542949 1.742750
H -1.683969 -4.103347 1.490469
H -2.559285 -2.719869 2.176601
H -3.064056 3.991457 -0.538017
H -4.049474 2.551903 -0.207268
H 6.350160 -0.885303 1.339028
H 6.771105 0.629675 2.189995
H 5.534995 -0.467295 2.871581
H -3.801625 -4.856241 0.293404
H -4.060188 -4.750441 2.059027
H -4.682602 -3.465020 0.983807
H -3.228413 4.670329 1.912334
H -4.848838 4.512851 1.174098
H -4.221216 3.223239 2.241171


