%chk=000002605.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002605

0 1
 O  -0.3969000       3.607600      0.1495000    
 O    7.229900      -1.650600       1.103900    
 O    7.135400      -1.461300      -1.159200    
 C   -2.783600      -2.020700     -0.2436000    
 C   -5.426400     -0.5383000      0.1860000    
 C   -4.102100      -2.706200      0.1785000    
 C   -5.320700      -1.978300     -0.3632000    
 C   -2.851600     -0.4997000     -5.6499999E-02
 C   -4.075800      0.1876000      0.1342000    
 C   -2.485800      -2.323900      -1.728800    
 C   -1.665600      -2.658000      0.6158000    
 C   -6.499000      0.1777000     -0.6693000    
 C   -5.915700     -0.5694000       1.651000    
 C   -1.657500      0.2538000     -0.1128000    
 C   -4.040700       1.587800      0.3203000    
 C   -1.653600       1.637200      5.4299999E-02
 C   -2.846200       2.304300      0.2796000    
 C  -0.4029000       2.376900     -3.1000001E-03
 C   0.9122000       1.709400     -0.2430000    
 C    1.633100       1.267500      0.8420000    
 C    1.346900       1.564500      -1.536500    
 C    2.871200      0.6384000      0.6330000    
 C    3.349000      0.4729000     -0.6888000    
 C    2.574500      0.9414000      -1.762700    
 C    3.645300      0.1696000       1.707100    
 C    4.587000     -0.1564000     -0.8976000    
 C    5.343200     -0.6156000      0.1812000    
 C    4.873100     -0.4531000       1.481100    
 C    6.623400      -1.265000     -5.2200001E-02
 H   -4.170000      -2.760900       1.272400    
 H   -4.117100      -3.746100     -0.1730000    
 H   -5.276700      -1.965900      -1.459600    
 H   -6.223900      -2.547600     -0.1080000    
 H   -1.499100      -1.949900      -2.026500    
 H   -2.495100      -3.402800      -1.921500    
 H   -3.217100      -1.857100      -2.397600    
 H   -1.702900      -3.752500      0.5569000    
 H  -0.6629000      -2.361600      0.2907000    
 H   -1.767900      -2.376600       1.670500    
 H   -6.765700       1.162000     -0.2705000    
 H   -6.152900      0.3211000      -1.699700    
 H   -7.425300     -0.4081000     -0.7062000    
 H   -5.176700      -1.022400       2.320900    
 H   -6.112800      0.4399000       2.031200    
 H   -6.847500      -1.138900       1.744600    
 H  -0.7269000     -0.2725000     -0.3017000    
 H   -4.955000       2.145100      0.5080000    
 H   -2.879700       3.380600      0.4247000    
 H    1.250100       1.403300       1.850900    
 H   0.7610000       1.920900      -2.378200    
 H    2.921700      0.8248000      -2.787200    
 H    3.296800      0.2863000       2.731300    
 H    4.956300     -0.2848000      -1.913800    
 H    5.428900     -0.7957000       2.349400    
 H    8.092400      -2.086800      0.9356000    


%chk=000002605-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002605

0 1
O -0.423706 3.726950 0.184338
O 7.376476 -1.720679 1.048726
O 7.205373 -1.492256 -1.255343
C -2.783290 -2.034586 -0.221042
C -5.495208 -0.549424 0.163963
C -4.114297 -2.719337 0.198128
C -5.350009 -2.003115 -0.367196
C -2.887918 -0.502622 -0.039915
C -4.134443 0.180531 0.125723
C -2.468667 -2.344150 -1.716959
C -1.646727 -2.630698 0.658687
C -6.548368 0.176705 -0.722707
C -6.011202 -0.567505 1.636680
C -1.696361 0.264998 -0.074264
C -4.118598 1.596770 0.294337
C -1.692928 1.672168 0.078422
C -2.932377 2.340301 0.273699
C -0.429996 2.466520 0.040118
C 0.882659 1.737238 -0.193928
C 1.647304 1.273510 0.882088
C 1.367507 1.577193 -1.536103
C 2.910524 0.634436 0.667212
C 3.394613 0.468797 -0.689828
C 2.593471 0.957415 -1.775666
C 3.713224 0.148939 1.754185
C 4.651085 -0.174051 -0.905947
C 5.412805 -0.640783 0.175309
C 4.936153 -0.474833 1.520357
C 6.711001 -1.302075 -0.116751
H -4.173374 -2.748992 1.304436
H -4.092520 -3.772356 -0.144192
H -5.293598 -1.980795 -1.473616
H -6.269402 -2.565106 -0.110968
H -1.528378 -1.854943 -2.030187
H -2.354880 -3.434589 -1.866154
H -3.269854 -1.984104 -2.386815
H -1.670986 -3.735016 0.596110
H -0.642620 -2.306262 0.332401
H -1.772477 -2.344135 1.718875
H -6.829619 1.166896 -0.322697
H -6.173362 0.316892 -1.752870
H -7.470701 -0.432269 -0.772185
H -5.330272 -1.128244 2.301336
H -6.099235 0.458125 2.038214
H -7.009540 -1.042268 1.682235
H -0.737194 -0.243283 -0.218672
H -5.067603 2.124263 0.438195
H -2.931053 3.427841 0.399223
H 1.284737 1.400309 1.909111
H 0.765882 1.953278 -2.370488
H 2.960751 0.839065 -2.801669
H 3.348606 0.278259 2.779684
H 5.036275 -0.309719 -1.923044
H 5.550301 -0.844885 2.345156
H 8.234116 -2.150422 0.786057


