%chk=000016874.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016874

0 1
 O   3.4000002E-02   1.767100     -0.6253000    
 O  -5.8899999E-02  -3.651100      0.3994000    
 C   -2.499700      0.4966000     -0.3978000    
 C    2.522700      0.4187000     -0.3564000    
 C   -1.168300     -0.2624000     -0.2477000    
 C    1.207100     -0.2769000     -0.2318000    
 C   -2.644500       1.605800      0.6894000    
 C    2.697800       1.589000      0.6866000    
 C   1.1000000E-02  0.4270000     -0.3717000    
 C   -3.660600     -0.5127000     -0.2120000    
 C   -2.699800       1.137100      -1.792600    
 C    3.783900     -0.5021000     -0.2246000    
 C    2.652600       1.066700      -1.774600    
 C   -1.232000      -1.609800      7.4000000E-03
 C    1.183600      -1.647300      2.7700000E-02
 C  -3.5999998E-02  -2.313700      0.1474000    
 C   -2.657900       1.106400       2.131200    
 C    2.565000       1.161600       2.145500    
 H   -1.890600       2.392500      0.6324000    
 H   -3.597200       2.128600      0.5225000    
 H    3.690200       2.041500      0.5547000    
 H    1.988700       2.402600      0.5040000    
 H   -3.670700      -1.023100      0.7571000    
 H   -3.694500      -1.259700      -1.015700    
 H   -4.622500      1.5600000E-02 -0.2665000    
 H   -2.121000       2.035400      -2.007100    
 H   -2.470000      0.4115000      -2.582500    
 H   -3.747300       1.435900      -1.927800    
 H    3.827600      -1.012300      0.7432000    
 H    3.805500      -1.263800      -1.013500    
 H    4.708200      8.0899999E-02 -0.3194000    
 H    3.657500       1.480100      -1.924800    
 H    2.483100      0.3204000      -2.560200    
 H    1.956000       1.891000      -1.946900    
 H   -2.127800      -2.206900      0.1053000    
 H    2.087600      -2.234800      0.1432000    
 H   -2.704700       1.961600       2.814500    
 H   -1.753400      0.5420000       2.375700    
 H   -3.531300      0.4843000       2.343800    
 H    2.708000       2.029300       2.798400    
 H    3.317000      0.4177000       2.421500    
 H    1.573800      0.7508000       2.358000    
 H  -0.8161000       2.152900     -0.8383000    
 H   0.8547000      -3.977500      0.4665000    


%chk=000016874-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000016874

0 1
O 0.051643 1.801124 -0.553727
O -0.093936 -3.758691 0.308048
C -2.622962 0.464992 -0.403475
C 2.602080 0.468623 -0.351410
C -1.265085 -0.278961 -0.244696
C 1.246600 -0.277392 -0.238050
C -2.802739 1.635734 0.641354
C 2.723637 1.586616 0.745842
C -0.007195 0.398249 -0.341507
C -3.828791 -0.495916 -0.207976
C -2.742494 1.037930 -1.853399
C 3.812252 -0.494501 -0.207275
C 2.712246 1.133727 -1.758921
C -1.238005 -1.674992 -0.019652
C 1.207250 -1.676909 -0.024207
C -0.017736 -2.364261 0.086066
C -2.411354 1.293660 2.094160
C 2.570874 1.104043 2.204823
H -2.259766 2.557517 0.331667
H -3.869832 1.933034 0.603859
H 3.717478 2.063398 0.617167
H 1.964983 2.359810 0.539002
H -3.859431 -0.931533 0.806600
H -3.811648 -1.323371 -0.938933
H -4.768346 0.065281 -0.363935
H -1.899351 1.695802 -2.132811
H -2.766482 0.212470 -2.586833
H -3.678315 1.619476 -1.957631
H 3.829966 -1.016805 0.766336
H 3.828587 -1.253392 -1.011669
H 4.745914 0.092044 -0.286794
H 3.675055 1.673296 -1.844789
H 2.676286 0.367461 -2.555640
H 1.893706 1.851008 -1.925354
H -2.157071 -2.254597 0.076707
H 2.145068 -2.235043 0.063432
H -2.647502 2.134941 2.770994
H -1.331908 1.077469 2.180479
H -2.959300 0.405834 2.457552
H 2.627989 1.960211 2.902562
H 3.362646 0.388857 2.494548
H 1.595160 0.607452 2.359124
H -0.852156 2.191025 -0.475624
H 0.812785 -4.148224 0.372186


