%chk=000100418.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100418

0 1
 O   -2.972300      0.8029000     -0.8751000    
 O   0.8949000       2.167700       1.685900    
 O   0.7379000      -2.114600     -0.4267000    
 O    2.300000     -0.8266000       2.258800    
 O   -3.754400      -1.312900      0.6149000    
 C   -1.049000       1.550200      0.4311000    
 C   -1.717500      0.6030000     -0.3499000    
 C   -1.117100     -0.6260000     -0.6374000    
 C   -1.683200       2.872600      0.7463000    
 C   0.8281000      2.5000000E-02  0.6346000    
 C   0.2292000       1.251900      0.9218000    
 C   -3.048400       3.021400      0.1429000    
 C   0.1550000     -0.9134000     -0.1450000    
 C   -1.833200      -1.638900      -1.474700    
 C   -3.609400       1.994800     -0.6224000    
 C    2.159400     -0.2758000       1.150400    
 C    3.401200      9.0000004E-02  0.3206000    
 C   -2.392800      -2.799800     -0.6813000    
 C   -3.778300       4.200600      0.3441000    
 C    4.717900     -0.2657000       1.014800    
 C   -4.882500       2.143900      -1.179400    
 C   -5.049200       4.349000     -0.2123000    
 C   -5.600800       3.320800     -0.9738000    
 C   -3.322400      -2.570800      0.3192000    
 C   -1.953900      -4.078800     -0.9810000    
 C    5.910500      0.1153000      0.1762000    
 C   -3.828000      -3.652200       1.040900    
 C   -2.459500      -5.160000     -0.2592000    
 C    6.430900     -0.8014000     -0.7257000    
 C    6.469500       1.377000      0.3184000    
 C   -3.396500      -4.946800      0.7518000    
 C    7.534700     -0.4488000      -1.502200    
 C    7.573200       1.729600     -0.4582000    
 C    8.105800      0.8166000      -1.368600    
 H   -1.050000       3.678500      0.3550000    
 H   -1.780600       2.975400       1.834200    
 H   -1.139600      -2.000600      -2.247000    
 H   -2.652700      -1.199400      -2.057100    
 H    3.329100     -0.4358000     -0.6390000    
 H    3.362800       1.167600      0.1204000    
 H   -3.358800       5.010000      0.9365000    
 H    4.777600      0.2340000       1.990700    
 H    4.749900      -1.340600       1.236200    
 H   -5.319800       1.346200      -1.774100    
 H   -5.608300       5.266100     -5.1600002E-02
 H   -6.590100       3.436100      -1.406900    
 H   0.3748000       2.975800       1.810200    
 H   -1.224600      -4.259600      -1.765300    
 H    1.597400      -2.196200      1.6000001E-02
 H   -4.558300      -3.500600       1.831300    
 H   -2.123500      -6.168000     -0.4841000    
 H    5.991800      -1.788600     -0.8386000    
 H    6.060800       2.095700       1.023100    
 H   -3.789900      -5.788700       1.313800    
 H    7.948900      -1.159400      -2.211400    
 H    8.017700       2.715100     -0.3547000    
 H   -4.398600      -1.360600       1.341900    
 H    8.965000       1.091300      -1.973400    


%chk=000100418-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100418

0 1
O -3.210911 0.718647 -1.037292
O 1.462629 1.883235 -0.174593
O 0.091267 -2.701824 -1.112599
O 2.467773 -2.184779 -0.745364
O -3.768286 -1.224283 1.265965
C -0.880737 1.362295 -0.570252
C -1.863805 0.371701 -0.849012
C -1.566496 -0.999599 -0.985863
C -1.239967 2.833305 -0.408477
C 0.859459 -0.424366 -0.627897
C 0.457527 0.939244 -0.453079
C -2.737030 3.090598 -0.497750
C -0.202741 -1.379695 -0.904648
C -2.639748 -2.053424 -1.221298
C -3.635198 2.044312 -0.804625
C 2.240987 -0.917475 -0.550014
C 3.437599 -0.028612 -0.251058
C -2.828815 -3.016843 -0.049480
C -3.275650 4.382193 -0.289874
C 4.777011 -0.804737 -0.210441
C -5.025937 2.260822 -0.908184
C -4.662313 4.623925 -0.388740
C -5.539426 3.556178 -0.700713
C -3.404003 -2.585228 1.175640
C -2.458347 -4.377789 -0.151334
C 5.942627 0.127973 0.084423
C -3.605094 -3.478417 2.253968
C -2.655118 -5.286922 0.913192
C 6.636056 0.781032 -0.967702
C 6.342736 0.394093 1.419846
C -3.231052 -4.833655 2.120875
C 7.695827 1.675864 -0.696083
C 7.401609 1.288008 1.698070
C 8.081840 1.934431 0.639830
H -0.730981 3.444612 -1.187014
H -0.884475 3.214897 0.575468
H -2.363106 -2.649885 -2.109473
H -3.590744 -1.536413 -1.431624
H 3.479120 0.783767 -1.001962
H 3.263735 0.502225 0.704318
H -2.594492 5.208476 -0.050047
H 4.707765 -1.599157 0.554417
H 4.922414 -1.320373 -1.176664
H -5.674472 1.412552 -1.145467
H -5.056714 5.632089 -0.225672
H -6.617330 3.732492 -0.779824
H 1.076464 2.786190 -0.052145
H -1.988870 -4.716634 -1.081025
H 1.136922 -2.790998 -1.004977
H -4.052915 -3.118682 3.190575
H -2.355564 -6.334356 0.803164
H 6.348083 0.578118 -2.007176
H 5.825857 -0.111117 2.245792
H -3.387644 -5.524791 2.956452
H 8.223206 2.165203 -1.523192
H 7.699917 1.475226 2.736178
H -4.175702 -1.034709 2.147386
H 8.906048 2.624559 0.852975


