%chk=000162908.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162908

0 1
 O    11.78170     -0.6646000      9.5600002E-02
 O    10.44350     -0.8584000       1.918300    
 C   0.5390000      0.9449000     -0.4343000    
 C    1.898300      0.8733000      -1.138000    
 C  -0.6035000       1.336900      -1.378200    
 C    3.001100      0.4515000     -0.1644000    
 C   -1.949200       1.428200     -0.7031000    
 C    4.389800      0.3760000     -0.8071000    
 C   -4.059900      0.4773000      3.8600001E-02
 C   -2.810800      0.3257000     -0.6076000    
 C    5.543500      1.6799999E-02  0.1363000    
 C   -4.941600     -0.6270000      0.1432000    
 C   -4.429100       1.730500      0.5802000    
 C    6.910800      1.0700000E-02 -0.5514000    
 C   -4.572400      -1.880300     -0.3984000    
 C   -2.314800       2.662500     -0.1687000    
 C   -6.190600     -0.4754000      0.7894000    
 C   -2.462000     -0.9235000      -1.138100    
 C   -3.545400       2.813900      0.4684000    
 C    8.067700     -0.3622000      0.3845000    
 C   -3.330900      -2.011600      -1.034900    
 C   -5.670500       1.862000       1.216800    
 C   -6.539500      0.7738000       1.320000    
 C   -5.456200      -2.963600     -0.2865000    
 C   -7.052200      -1.577900      0.8850000    
 C    9.461800     -0.2995000     -0.2414000    
 C   -6.686600      -2.812200      0.3505000    
 C    10.57800     -0.6275000      0.7252000    
 H    2.140600       1.851900      -1.569100    
 H    1.846900      0.1567000      -1.966300    
 H   0.3176000     -2.8200001E-02  2.1900000E-02
 H   0.5960000       1.667300      0.3900000    
 H  -0.6354000      0.6751000      -2.250600    
 H  -0.3676000       2.318700      -1.813800    
 H    2.755100     -0.5276000      0.2646000    
 H    3.036100       1.162500      0.6704000    
 H    4.360500     -0.3574000      -1.623000    
 H    4.610500       1.345600      -1.271800    
 H    5.352500     -0.9707000      0.5738000    
 H    5.562000      0.7330000      0.9669000    
 H    7.102000       1.004000     -0.9756000    
 H    6.891900     -0.6938000      -1.391800    
 H   -1.649300       3.519300     -0.2370000    
 H   -1.512100      -1.106200      -1.631100    
 H   -3.807800       3.787000      0.8782000    
 H    8.043300      0.3060000       1.255300    
 H    7.897100      -1.373300      0.7763000    
 H   -3.024500      -2.967200      -1.455900    
 H   -5.976100       2.816300       1.640900    
 H   -7.494900      0.9142000       1.821500    
 H   -5.193600      -3.937000     -0.6955000    
 H   -8.017900      -1.485100       1.377500    
 H    9.512800      -1.010700      -1.073500    
 H    9.642300      0.7090000     -0.6298000    
 H   -7.362500      -3.658800      0.4308000    
 H    12.51020     -0.8886000      0.7131000    


%chk=000162908-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162908

0 1
O 11.714896 -1.097810 0.040422
O 10.380150 -1.279057 1.930555
C 0.495998 1.131945 -0.477127
C 1.893641 1.105839 -1.133880
C -0.618890 1.612422 -1.450407
C 3.002630 0.615359 -0.175923
C -2.001057 1.629896 -0.814032
C 4.403308 0.576706 -0.827593
C -4.065948 0.502838 0.004148
C -2.777923 0.436276 -0.650207
C 5.506149 0.072525 0.130066
C -4.856334 -0.687190 0.180531
C -4.569202 1.766257 0.486841
C 6.907256 0.026660 -0.519648
C -4.369965 -1.958728 -0.296357
C -2.526819 2.855070 -0.333903
C -6.141442 -0.617751 0.836476
C -2.322576 -0.857612 -1.120671
C -3.779957 2.931469 0.304090
C 7.999929 -0.480630 0.446602
C -3.082728 -2.001034 -0.953373
C -5.860192 1.810279 1.139387
C -6.616630 0.665435 1.308664
C -5.162944 -3.123969 -0.112561
C -6.902504 -1.807068 1.000406
C 9.388587 -0.528197 -0.218115
C -6.416468 -3.045754 0.530080
C 10.484570 -1.000735 0.716297
H 2.147891 2.122120 -1.501816
H 1.866753 0.449667 -2.029588
H 0.244479 0.121253 -0.098450
H 0.510929 1.798025 0.408744
H -0.606245 0.969517 -2.352789
H -0.365476 2.633335 -1.795536
H 2.743331 -0.398636 0.193968
H 3.032097 1.272683 0.718020
H 4.371230 -0.075335 -1.725768
H 4.667597 1.592256 -1.190189
H 5.238560 -0.941154 0.494572
H 5.539638 0.725421 1.027058
H 7.174718 1.041341 -0.882921
H 6.871763 -0.626113 -1.417272
H -1.933911 3.768259 -0.466661
H -1.354322 -0.925997 -1.626108
H -4.156819 3.896557 0.662784
H 8.043598 0.169661 1.341169
H 7.734754 -1.489830 0.816460
H -2.717240 -2.967219 -1.321361
H -6.227740 2.778549 1.499463
H -7.593089 0.710381 1.805226
H -4.789520 -4.088303 -0.476548
H -7.877321 -1.752698 1.499249
H 9.387439 -1.191925 -1.104762
H 9.680226 0.471482 -0.598070
H -7.016731 -3.952125 0.665103
H 12.413576 -1.402311 0.681552


