%chk=000168715.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168715

0 1
 O    4.561700     -0.7250000     -0.2857000    
 O    2.571400       2.064600      -2.027300    
 O    4.153100      -1.218700       1.914300    
 O   -2.573200       1.831000     -0.8779000    
 O   -2.630300       3.073200       1.186500    
 O   -2.786800      -1.826500      -1.790100    
 O   -3.911200      -1.980200      0.3359000    
 C    2.403200     -9.6799999E-02 -0.9518000    
 C    2.304600     -0.8158000      0.3895000    
 C    2.346100       1.422800     -0.7716000    
 C    3.763800     -0.5319000      -1.458800    
 C    1.680800      -2.199900      0.2783000    
 C    3.751600     -0.9400000      0.7945000    
 C    1.018600       1.884400     -0.2130000    
 C   0.1756000      -2.144600      0.3310000    
 C  -0.1450000       1.581100     -0.9045000    
 C    1.002800       2.603100      0.9839000    
 C  -0.5402000      -2.005700     -0.8519000    
 C  -0.4656000      -2.234800       1.570800    
 C   -1.331200       2.023400     -0.3558000    
 C   -1.915700      -1.959700     -0.7531000    
 C  -0.2120000       3.039100       1.518000    
 C   -1.363900       2.732700      0.8230000    
 C   -1.859800      -2.185800       1.643000    
 C   -2.557700      -2.047400      0.4609000    
 C   -3.391300       2.498300      0.1048000    
 C   -4.049300      -1.840900      -1.092800    
 H    1.650000     -0.4067000      -1.681200    
 H    1.798500     -0.2213000       1.156500    
 H    3.159100       1.755200     -0.1145000    
 H    3.714600      -1.487500      -1.992500    
 H    4.253500      0.1967000      -2.110700    
 H    2.033500      -2.844400       1.095300    
 H    2.001900      -2.715300     -0.6367000    
 H    2.059900       1.597300      -2.709500    
 H  -0.1437000       1.036400      -1.841200    
 H    1.924200       2.830800       1.512900    
 H  -5.3599998E-02  -1.948000      -1.818500    
 H   0.1096000      -2.340100       2.487000    
 H  -0.2421000       3.598000       2.446400    
 H   -2.369300      -2.253000       2.597400    
 H   -4.099800       1.772700      0.5210000    
 H   -3.955100       3.296600     -0.3913000    
 H   -4.649900      -2.676100      -1.470900    
 H   -4.576700     -0.9034000      -1.304000    


%chk=000168715-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168715

0 1
O 4.749820 -0.841685 -0.462524
O 2.377234 1.784571 -2.294867
O 4.528669 -1.431634 1.773679
O -2.779537 1.656792 -0.838426
O -2.820217 2.679762 1.333030
O -2.753558 -2.158283 -1.846265
O -3.894823 -1.351649 0.102420
C 2.453452 -0.211514 -0.977529
C 2.498840 -0.893767 0.412936
C 2.271331 1.326259 -0.890701
C 3.821087 -0.583703 -1.607164
C 1.747490 -2.265797 0.502558
C 3.997176 -1.091926 0.703341
C 0.944214 1.738592 -0.268844
C 0.237843 -2.083832 0.452468
C -0.268670 1.469720 -0.974169
C 0.910613 2.363233 1.001091
C -0.476452 -2.296966 -0.764428
C -0.455227 -1.638855 1.607638
C -1.459775 1.814845 -0.342075
C -1.843304 -2.012989 -0.768382
C -0.315302 2.717699 1.631062
C -1.487369 2.419505 0.935143
C -1.849989 -1.366369 1.595150
C -2.514512 -1.547727 0.380901
C -3.672757 2.043237 0.291827
C -4.004688 -1.507830 -1.376948
H 1.626796 -0.600273 -1.596679
H 2.083476 -0.241559 1.202281
H 3.103754 1.760255 -0.292720
H 3.772890 -1.509220 -2.207360
H 4.252441 0.229808 -2.207032
H 2.049396 -2.743986 1.453123
H 2.089254 -2.925219 -0.317864
H 2.157446 2.749646 -2.330623
H -0.253630 1.007123 -1.964510
H 1.852244 2.580300 1.518980
H 0.025402 -2.669640 -1.662526
H 0.102383 -1.492485 2.539968
H -0.341147 3.199358 2.611442
H -2.375681 -1.027490 2.491612
H -4.134300 1.127766 0.703956
H -4.403512 2.783645 -0.068748
H -4.856617 -2.165702 -1.603448
H -4.077487 -0.504115 -1.835176


