%chk=000125013.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125013

0 1
 O  -0.7378000      -1.705400      0.5824000    
 O   -2.635400     -0.6244000       1.637500    
 O   -5.696200     -0.5805000     -0.2633000    
 O    6.265700      0.1086000     -0.5765000    
 C   -2.104800     -0.2369000     -0.6990000    
 C   -1.323900       1.106100     -0.5552000    
 C    0.000000      0.9584000      0.1998000    
 C   0.8156000     -0.1837000     -0.4829000    
 C  -0.1078000      -1.420300     -0.6891000    
 C   -1.279700      -1.088000      -1.646000    
 C   -3.543700      0.2046000      -1.002600    
 C   -2.085200      -1.225000      0.4801000    
 C   -2.346800       2.096500     -3.2099999E-02
 C    2.184000     -0.4599000      0.2453000    
 C   -3.563000       1.740600     -0.8855000    
 C   0.8229000       2.248100      0.2205000    
 C    2.931000      0.8709000      0.4233000    
 C    2.134300       2.035200      0.9701000    
 C   -4.526300     -0.3358000      3.4000002E-02
 C    3.019700      -1.421800     -0.6495000    
 C    2.003300      -1.104700       1.636200    
 C   -4.039500     -0.4636000       1.480000    
 C    4.493600      -1.472600     -0.2784000    
 C    4.233300       1.042300      0.1404000    
 C    5.086700     -8.8799998E-02 -0.2896000    
 H   -1.070700       1.456500      -1.570200    
 H  -0.2235000      0.6956000       1.240900    
 H    1.076400      0.1715000      -1.493200    
 H   0.4386000      -2.300400      -1.035700    
 H  -0.9570000     -0.5833000      -2.561600    
 H   -1.819600      -1.999200      -1.932200    
 H   -3.869100     -0.1241000      -1.995300    
 H   -2.674800      -2.127100      0.2546000    
 H   -2.043700       3.136300     -0.1872000    
 H   -2.546200       1.955600       1.034200    
 H   -4.485700       2.140600     -0.4523000    
 H   -3.449200       2.180000      -1.884600    
 H   0.2596000       3.050400      0.7109000    
 H    1.030500       2.583600     -0.8036000    
 H    1.922200       1.849000       2.030400    
 H    2.713300       2.966200      0.9325000    
 H    2.946300      -1.103300      -1.698900    
 H    2.616300      -2.440300     -0.6073000    
 H    1.614000      -2.125200       1.557800    
 H    2.955000      -1.168600       2.176700    
 H    1.319000     -0.5363000       2.273600    
 H   -4.346600      0.4281000       2.034100    
 H   -4.528300      -1.336300       1.926400    
 H    5.027300      -2.085100      -1.013600    
 H    4.650100      -1.914800      0.7103000    
 H    4.725100       2.001200      0.2662000    


%chk=000125013-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125013

0 1
O -0.784423 -1.748170 0.596064
O -2.570488 -0.539105 1.679257
O -5.782295 -0.516421 -0.129427
O 6.390042 0.141654 -0.551202
C -2.121218 -0.257811 -0.757111
C -1.337739 1.096173 -0.559339
C -0.016008 0.942143 0.225797
C 0.829464 -0.169654 -0.467531
C -0.071343 -1.413048 -0.697382
C -1.245208 -1.128746 -1.693404
C -3.607831 0.167675 -1.020738
C -2.121066 -1.212463 0.463267
C -2.393621 2.117069 -0.089381
C 2.207815 -0.470048 0.240445
C -3.602910 1.745845 -0.983333
C 0.794380 2.251574 0.286757
C 2.942014 0.870251 0.440594
C 2.141590 2.025716 1.017396
C -4.563155 -0.296104 0.095944
C 3.048226 -1.398904 -0.692689
C 2.020086 -1.148441 1.633967
C -4.040115 -0.412503 1.549239
C 4.546656 -1.457471 -0.331767
C 4.275506 1.030718 0.158183
C 5.167534 -0.062904 -0.276985
H -1.055852 1.408785 -1.591875
H -0.256361 0.620199 1.256806
H 1.097074 0.212509 -1.479747
H 0.504290 -2.313434 -0.961980
H -0.912160 -0.608219 -2.606361
H -1.736325 -2.077304 -1.982239
H -4.022294 -0.201699 -1.974944
H -2.821789 -2.065370 0.276979
H -2.075618 3.163349 -0.243210
H -2.620989 1.983150 0.983251
H -4.566125 2.158837 -0.636378
H -3.435567 2.121060 -2.010651
H 0.221209 3.036723 0.815479
H 0.986507 2.623060 -0.741417
H 1.919425 1.805244 2.083258
H 2.751519 2.947231 1.005897
H 2.954396 -1.032737 -1.735939
H 2.632167 -2.424012 -0.670542
H 1.493880 -2.111789 1.530566
H 3.000300 -1.328168 2.111274
H 1.418745 -0.528333 2.319694
H -4.323200 0.496929 2.110149
H -4.541372 -1.281928 2.018877
H 5.113696 -2.069135 -1.055594
H 4.689992 -1.929188 0.661493
H 4.757857 2.007717 0.293331


