%chk=000003931.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003931

0 1
 O    5.761900       3.672200      0.1025000    
 O    6.665700       1.663900      0.6741000    
 C    2.785200      -1.767400     -0.2315000    
 C    1.420900      -2.344300     -0.6235000    
 C    2.858200     -0.2435000     -0.3578000    
 C    1.356900      -3.871900     -0.5199000    
 C    4.244800      0.2784000      3.4699999E-02
 C  -2.5000000E-02  -4.445900     -0.8528000    
 C    4.360800       1.795500     -0.1122000    
 C   -4.039600       1.618900      5.1199999E-02
 C   -4.246200       3.132700      0.1590000    
 C   -1.105600      -3.956200      6.7699999E-02
 C   -3.638900       1.018700       1.404200    
 C   -4.715100       3.775600      -1.148100    
 C   -2.197800      -3.298100     -0.3485000    
 C   -3.280000      -2.814400      0.5720000    
 C   -3.429400     -0.4712000       1.450000    
 C    5.718200       2.326800      0.2797000    
 C   -3.505700      -1.336500      0.4270000    
 C   -4.989300       5.266700      -1.028000    
 H    3.012800      -2.056500      0.8021000    
 H    3.558500      -2.219700     -0.8647000    
 H   0.6609000      -1.890800      2.3399999E-02
 H    1.182600      -2.044300      -1.651400    
 H    2.634000      4.9300000E-02  -1.390500    
 H    2.096400      0.2165000      0.2830000    
 H    1.642500      -4.178600      0.4944000    
 H    2.095300      -4.311700      -1.201300    
 H    5.008700     -0.2051000     -0.5873000    
 H    4.462800     -5.7000001E-03   1.072000    
 H   2.0300001E-02  -5.539000     -0.7768000    
 H  -0.2683000      -4.214900      -1.897200    
 H    3.611500       2.282200      0.5226000    
 H    4.175600       2.075300      -1.155400    
 H   -3.264300       1.413900     -0.6969000    
 H   -4.968500       1.153700     -0.3011000    
 H   -4.987600       3.339600      0.9410000    
 H   -3.309500       3.606400      0.4780000    
 H  -0.9758000      -4.161500       1.127400    
 H   -2.713000       1.497200       1.747100    
 H   -4.411600       1.265100       2.143400    
 H   -5.630300       3.277500      -1.489900    
 H   -3.957200       3.613900      -1.923700    
 H   -2.331100      -3.109800      -1.411600    
 H   -3.055700      -3.077500       1.612800    
 H   -4.211000      -3.332000      0.3116000    
 H   -3.178900     -0.8613000       2.435100    
 H   -3.761900     -0.9819000     -0.5676000    
 H   -5.773400       5.461100     -0.2894000    
 H   -5.318400       5.671900      -1.989800    
 H   -4.087200       5.805200     -0.7211000    
 H    6.639100       4.043600      0.3368000    


%chk=000003931-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000003931

0 1
O 5.642422 3.869875 0.067073
O 6.685332 1.858029 0.568911
C 2.805323 -1.770236 -0.250683
C 1.425986 -2.349232 -0.636691
C 2.876829 -0.232602 -0.385507
C 1.345415 -3.883335 -0.478152
C 4.262115 0.341794 -0.017046
C -0.037042 -4.475673 -0.873631
C 4.307245 1.875902 -0.145794
C -4.049522 1.581156 0.142775
C -4.230647 3.114455 0.210318
C -1.162134 -4.021457 0.035018
C -3.759720 0.953282 1.522390
C -4.519682 3.756065 -1.165787
C -2.279566 -3.360992 -0.364626
C -3.399704 -2.898011 0.554815
C -3.553766 -0.550739 1.543681
C 5.657739 2.469033 0.203513
C -3.621877 -1.394364 0.481140
C -4.692387 5.288793 -1.092679
H 3.043898 -2.057165 0.795002
H 3.590864 -2.231471 -0.885443
H 0.636804 -1.876098 -0.018653
H 1.196360 -2.080296 -1.689632
H 2.621426 0.053897 -1.427635
H 2.099302 0.224962 0.261729
H 1.570039 -4.156523 0.574184
H 2.131420 -4.359869 -1.099328
H 5.039578 -0.104596 -0.666373
H 4.527024 0.052334 1.018143
H 0.035945 -5.583216 -0.841980
H -0.270783 -4.201122 -1.921773
H 3.549689 2.353147 0.506979
H 4.053920 2.197625 -1.175399
H -3.220131 1.340832 -0.553685
H -4.963837 1.123669 -0.288043
H -5.059783 3.358007 0.907738
H -3.316975 3.574737 0.642354
H -1.035974 -4.250158 1.106560
H -2.858742 1.437805 1.958878
H -4.588270 1.208748 2.218791
H -5.435125 3.299726 -1.595206
H -3.693311 3.508654 -1.863266
H -2.400781 -3.119686 -1.433294
H -3.181187 -3.198672 1.597177
H -4.340429 -3.414358 0.261510
H -3.325042 -0.979935 2.533175
H -3.842799 -0.993944 -0.519240
H -5.528235 5.561519 -0.420817
H -4.904005 5.721345 -2.087921
H -3.777397 5.772679 -0.701474
H 6.541482 4.227780 0.302701


