%chk=000133710.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133710

0 1
 O   -4.015500      0.4770000      4.4799998E-02
 O   -2.626600      -1.238200      0.8012000    
 O   -7.333500      -1.935500      0.2512000    
 O   -7.394500      0.4860000      -1.355200    
 O   -4.638400      -3.120100      0.1721000    
 O   -6.151900       2.880100      -1.364800    
 O   -4.510900       2.976000      0.2144000    
 O    4.436400       1.836300      0.8778000    
 O   -1.295700      0.2533000     -0.3498000    
 O    3.695800      -1.778600      -1.321800    
 C   -6.189100      -1.354400     -0.3754000    
 C   -6.383500      0.1620000     -0.4022000    
 C   -4.930100      -1.741600      0.4009000    
 C   -5.092100      0.8651000     -0.8008000    
 C   -3.725400     -0.9154000     -5.0299998E-02
 C   -5.193000       2.338900     -0.5744000    
 C   -1.462000     -0.5737000      0.5366000    
 C  -0.3950000      -1.021400       1.516600    
 C   0.9050000     -0.3108000       1.346400    
 C    3.103600     -0.1654000      0.2877000    
 C    1.875600     -0.8265000      0.4853000    
 C    3.324000       1.044300      0.9618000    
 C    1.146500      0.8711000       2.033300    
 C    5.525800     -0.5494000     -0.6230000    
 C    5.989300      0.7668000     -0.5588000    
 C    4.083000     -0.8658000     -0.5945000    
 C    2.352200       1.541100       1.845300    
 C    5.026300       1.899700     -0.4150000    
 C    6.432300      -1.608600     -0.7718000    
 C    7.368900       1.009300     -0.6228000    
 C    7.801900      -1.355100     -0.8354000    
 C    8.270400     -4.6599999E-02 -0.7595000    
 H   -6.155400      -1.757300      -1.395500    
 H   -6.737100      0.5094000      0.5765000    
 H   -5.091700      -1.620200       1.479400    
 H   -4.816100      0.6990000      -1.849500    
 H   -3.446300      -1.176500      -1.080600    
 H   -7.246000      -2.901400      0.1881000    
 H   -7.091500      0.1875000      -2.229700    
 H   -5.368400      -3.642000      0.5454000    
 H  -0.7732000     -0.8591000       2.533600    
 H  -0.2490000      -2.101500       1.394200    
 H    1.665500      -1.765000     -2.4599999E-02
 H   -6.235100       3.848100      -1.229500    
 H   0.4043000       1.286700       2.709100    
 H    2.527300       2.471300       2.381700    
 H    4.279000       1.910400      -1.220000    
 H    5.550500       2.860300     -0.4796000    
 H    6.087200      -2.637900     -0.8313000    
 H    7.752400       2.025200     -0.5679000    
 H    8.502200      -2.177900     -0.9448000    
 H    9.336800      0.1529000     -0.8087000    


%chk=000133710-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133710

0 1
O -4.674190 0.440065 0.856026
O -2.546219 -0.474343 0.552397
O -6.482001 -2.533694 -1.492588
O -7.911214 -0.073478 -0.908126
O -3.609782 -2.206216 -1.603539
O -6.919958 2.819414 1.115095
O -7.258834 0.886620 2.363775
O 4.626649 1.850223 -0.729796
O -1.747422 1.652359 -0.024888
O 3.720248 -2.394643 0.274617
C -5.778735 -1.287055 -1.187923
C -6.691458 -0.505911 -0.230324
C -4.401600 -1.547842 -0.560636
C -5.985132 0.779862 0.249413
C -3.800395 -0.199074 -0.134423
C -6.785210 1.455481 1.361567
C -1.591402 0.582148 0.587296
C -0.422484 0.184458 1.478246
C 0.934787 0.596839 0.924028
C 3.204448 -0.052059 0.128031
C 1.903799 -0.373004 0.631362
C 3.474037 1.329208 -0.132441
C 1.263236 1.967871 0.717664
C 5.653755 -1.029277 -0.024577
C 6.268120 -0.006570 -0.798977
C 4.163378 -1.214198 0.083506
C 2.513190 2.321810 0.195030
C 5.411272 0.939353 -1.600194
C 6.470628 -1.958034 0.672896
C 7.678411 0.082799 -0.847932
C 7.875551 -1.859557 0.624315
C 8.484218 -0.833910 -0.137098
H -5.630174 -0.694365 -2.117785
H -6.924200 -1.143646 0.647065
H -4.501739 -2.187945 0.339508
H -5.855918 1.482821 -0.596303
H -3.623232 0.480502 -0.994499
H -5.898326 -3.076322 -2.082292
H -8.364246 -0.884372 -1.254630
H -2.746649 -2.500500 -1.217579
H -0.605025 0.678428 2.455020
H -0.467842 -0.900638 1.660793
H 1.709361 -1.435991 0.813604
H -7.448839 3.241198 1.846433
H 0.524283 2.745376 0.935803
H 2.770524 3.365086 -0.010072
H 4.700498 0.394589 -2.254115
H 6.023316 1.619395 -2.212615
H 5.977962 -2.751400 1.243245
H 8.146095 0.869613 -1.451423
H 8.493891 -2.576173 1.175173
H 9.575769 -0.753400 -0.180934


