%chk=000122524.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122524

0 1
 O   -1.259300     -2.2700001E-02  0.7996000    
 O  -1.7000000E-03 -0.1551000      7.0799999E-02
 O    2.430300      -1.494100     -0.2432000    
 O   -2.265800      -2.482000      0.1391000    
 O   -2.143100      -3.750000     -0.5637000    
 C   -2.286100     -0.1162000     -0.1924000    
 C    2.370500     -0.1944000      0.3521000    
 C   -3.642800      1.6799999E-02  0.5165000    
 C   -2.093000       1.009800      -1.221000    
 C    3.512500     -8.8699996E-02   1.374400    
 C    2.520800      0.8682000     -0.7487000    
 C   -3.847500       1.406500       1.122400    
 C   -2.300300       2.395800     -0.6084000    
 C   -3.654900       2.506800      8.3899997E-02
 C    4.890600     -0.1222000      0.7109000    
 C    3.901100      0.8294000      -1.406400    
 C    5.018300      0.9419000     -0.3743000    
 C    1.015500     -6.2899999E-02   1.049600    
 C   -2.165100      -1.486700     -0.8610000    
 H   -3.726700     -0.7152000       1.329100    
 H   -4.456700     -0.1859000     -0.1912000    
 H   -2.816500      0.8803000      -2.037100    
 H   -1.101000      0.9807000      -1.686000    
 H    3.455700     -0.9191000       2.089100    
 H    3.416300      0.8422000       1.947500    
 H    2.353400       1.867900     -0.3280000    
 H    1.774400      0.7177000      -1.538200    
 H   -3.143400       1.556900       1.949800    
 H   -4.855000       1.475600       1.548100    
 H   -2.227500       3.157200      -1.393400    
 H   -1.500400       2.605700      0.1120000    
 H   -4.453700       2.444700     -0.6654000    
 H   -3.744000       3.487500      0.5647000    
 H    5.067600      -1.112800      0.2749000    
 H    5.666000      3.2200001E-02   1.469900    
 H    3.985400       1.648800      -2.129300    
 H    4.016200     -0.1040000      -1.970900    
 H    4.990500       1.937200      8.6099997E-02
 H    5.990500      0.8472000     -0.8711000    
 H   0.9320000      0.8976000       1.571200    
 H   0.8762000     -0.8766000       1.771300    
 H   -1.210700      -1.609400      -1.385900    
 H   -2.970000      -1.627300      -1.593000    
 H    1.694100      -1.566000     -0.8746000    
 H   -3.096300      -3.941200     -0.5906000    


%chk=000122524-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122524

0 1
O -1.273245 1.080194 0.639470
O 0.083276 1.101623 -0.095961
O 1.777689 -1.044999 -0.752738
O -1.019261 -1.721070 0.564304
O -0.144458 -2.835869 0.003523
C -2.266669 0.271241 -0.138181
C 2.267404 0.029618 0.173707
C -3.405055 0.084696 0.902790
C -2.739732 1.071166 -1.379232
C 3.199922 -0.683434 1.177778
C 3.028833 1.096699 -0.652265
C -4.116896 1.407329 1.266622
C -3.448990 2.388192 -0.987167
C -4.614776 2.140365 -0.001400
C 4.473724 -1.242332 0.502121
C 4.293248 0.519361 -1.328571
C 5.225642 -0.146635 -0.288770
C 1.048350 0.615054 0.922067
C -1.677174 -1.082342 -0.589049
H -2.991373 -0.409988 1.799268
H -4.137259 -0.616037 0.452360
H -3.430014 0.433656 -1.969778
H -1.862554 1.287408 -2.018948
H 2.638375 -1.497316 1.674646
H 3.482647 0.047024 1.962492
H 3.320924 1.915529 0.036054
H 2.346605 1.546688 -1.400640
H -3.417170 2.062473 1.819448
H -4.964258 1.190094 1.944937
H -3.815732 2.893173 -1.901482
H -2.709319 3.062328 -0.514306
H -5.396275 1.527522 -0.498625
H -5.088574 3.101893 0.274341
H 4.184998 -2.057757 -0.187439
H 5.132809 -1.683439 1.274070
H 4.825992 1.326351 -1.867110
H 3.993774 -0.234585 -2.082252
H 5.605120 0.625463 0.413400
H 6.109439 -0.581975 -0.793009
H 1.354357 1.455385 1.575399
H 0.547271 -0.172158 1.510620
H -0.938995 -0.917884 -1.396566
H -2.486243 -1.733250 -0.975941
H 1.209147 -0.598648 -1.433201
H 0.710875 -2.298707 -0.177581


