%chk=000090931.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090931

0 1
 O   -3.486100       1.467400       1.039500    
 O    7.057700       1.423200      0.7605000    
 O   -5.939300      0.7290000      0.2102000    
 O   -7.431000     -0.6483000     -0.8920000    
 C  -0.2367000      -1.333400      0.2945000    
 C    1.291000      -1.309700      5.1800001E-02
 C  -0.9362000      4.1900001E-02  0.4529000    
 C    1.865500     -2.0600000E-02 -0.5273000    
 C    3.403900     -1.1200000E-02 -0.7733000    
 C  -0.4126000       1.077200     -0.5595000    
 C    2.046300      -1.647400       1.349400    
 C   -1.022900      -2.032600     -0.8344000    
 C   -2.347700     -0.3465000      8.2000002E-02
 C    1.062900       1.026600     -0.7969000    
 C    4.146600     -0.6100000      0.4327000    
 C    3.536400      -1.830000       1.081700    
 C  -0.8030000      0.5558000       1.893000    
 C    3.941700       1.430200      -1.030900    
 C   -2.396200      -1.476500     -0.6330000    
 C    3.698800     -0.8761000      -2.021700    
 C    5.459600       1.538100      -1.016300    
 C    5.300800     -0.1265000      0.9237000    
 C   -3.545800      0.4224000      0.3771000    
 C    6.010900      0.9988000      0.2753000    
 C   -4.864600     -0.1103000     -0.1614000    
 C   -7.182500      0.3451000     -0.2222000    
 C   -8.217700       1.323200      0.2444000    
 H  -0.4320000      -1.929900       1.201100    
 H    1.505800      -2.119400     -0.6584000    
 H  -0.6760000       2.087100     -0.2183000    
 H  -0.8970000      0.9642000      -1.539100    
 H    1.657900      -2.579700       1.778100    
 H    1.900700     -0.8651000       2.103600    
 H   -1.005500      -3.119000     -0.7046000    
 H  -0.6502000      -1.783900      -1.833800    
 H    1.463500       1.930200      -1.244900    
 H    3.688500      -2.694900      0.4239000    
 H    4.034800      -2.071000       2.028800    
 H   -1.266700       1.538200       2.026600    
 H   -1.266900     -0.1310000       2.610100    
 H   0.2471000      0.6726000       2.177200    
 H    3.557700       2.109300     -0.2556000    
 H    3.581400       1.810200      -1.995600    
 H   -3.267600      -1.950500      -1.058700    
 H    3.212400     -0.4595000      -2.911800    
 H    4.772300     -0.9387000      -2.231300    
 H    3.345000      -1.906900      -1.911300    
 H    5.743100       2.593300      -1.099700    
 H    5.918200      0.9974000      -1.849500    
 H    5.787800     -0.5737000       1.784100    
 H   -4.808700     -0.1452000      -1.255300    
 H   -5.038900      -1.107200      0.2586000    
 H   -8.003200       2.312900     -0.1662000    
 H   -8.231800       1.354000       1.336700    
 H   -9.202900       1.005100     -0.1085000    


%chk=000090931-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090931

0 1
O -3.679566 1.231327 0.688443
O 6.911740 1.890153 0.708057
O -6.175330 0.139704 0.549219
O -6.101838 1.077113 -1.586546
C -0.218333 -1.582997 0.292477
C 1.315535 -1.431705 0.077572
C -1.054489 -0.260388 0.453327
C 1.767799 -0.081027 -0.488312
C 3.293632 0.080934 -0.752003
C -0.624370 0.791398 -0.618150
C 2.110595 -1.734255 1.380053
C -0.973464 -2.382206 -0.811908
C -2.470342 -0.765333 0.098884
C 0.877508 0.908231 -0.771822
C 4.102397 -0.443410 0.453683
C 3.630620 -1.728603 1.106484
C -0.927467 0.336914 1.873168
C 3.672581 1.567186 -1.025379
C -2.406872 -1.935137 -0.614127
C 3.663212 -0.786382 -2.009467
C 5.192678 1.828620 -1.038537
C 5.238257 0.180506 0.904270
C -3.705004 0.013687 0.348040
C 5.858479 1.349093 0.250171
C -5.052339 -0.723690 0.172466
C -6.562660 1.082738 -0.425382
C -7.574523 2.041371 0.151084
H -0.366905 -2.151345 1.234762
H 1.616583 -2.220900 -0.648369
H -1.061251 1.771434 -0.351341
H -1.067558 0.528794 -1.602303
H 1.811140 -2.724341 1.775845
H 1.862273 -0.981316 2.152304
H -0.837856 -3.476562 -0.724934
H -0.625285 -2.098754 -1.829513
H 1.232503 1.865346 -1.170347
H 3.858271 -2.577779 0.425062
H 4.200164 -1.910834 2.035804
H -1.607461 1.196085 1.996553
H -1.174084 -0.414924 2.646237
H 0.106218 0.684810 2.050073
H 3.218413 2.196783 -0.235913
H 3.237593 1.888327 -1.990682
H -3.259334 -2.458874 -1.060915
H 3.091846 -0.428226 -2.884687
H 4.741503 -0.715502 -2.237555
H 3.424845 -1.853848 -1.860100
H 5.413222 2.902555 -1.171419
H 5.678879 1.302245 -1.885305
H 5.774825 -0.210835 1.778640
H -5.162371 -1.049963 -0.879233
H -5.112171 -1.593528 0.846366
H -7.039222 2.809837 0.737763
H -8.265254 1.521035 0.833503
H -8.129360 2.535135 -0.660060


