%chk=000125404.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125404

0 1
 O  -0.3147000       4.243700     -0.6139000    
 O   -1.826000       3.103800       1.399200    
 C  -0.1846000      0.5338000     -0.1735000    
 C   -1.572400      0.2499000     -4.0500000E-02
 C   0.2363000       1.861900     -0.4446000    
 C  -0.8017000       2.916300     -0.7932000    
 C   -2.067100       2.739900      3.9000001E-02
 C   -2.526900       1.305100      2.6500000E-02
 C   0.7879000     -0.4945000     -5.1600002E-02
 C   -2.027800      -1.085500      7.0799999E-02
 C   0.3047000      -1.861600     -0.1150000    
 C   -1.084100      -2.153200     -3.5999999E-03
 C    2.182700     -7.7299997E-02  0.1136000    
 C    1.591600       2.188400     -0.5053000    
 C    2.561900       1.255300     -0.1740000    
 C   -3.895400       1.053900      0.1765000    
 C   -3.427600      -1.291600      0.2181000    
 C   -4.345800     -0.2460000      0.2658000    
 C    1.158500      -2.969400     -0.3731000    
 C   -1.488000      -3.518700      4.9999999E-03
 C    3.233000     -0.8950000      0.6143000    
 C    3.904000       1.674100     -0.1078000    
 C   0.7303000      -4.296400     -0.3834000    
 C  -0.5984000      -4.574500     -0.1656000    
 C    4.564400     -0.4725000      0.7012000    
 C    4.905000      0.8101000      0.3150000    
 H   -1.032600       2.793000      -1.859800    
 H   -2.849200       3.408400     -0.3410000    
 H    1.890300       3.204100     -0.7587000    
 H   -4.606800       1.872800      0.2398000    
 H   -3.849300      -2.289300      0.3047000    
 H   -5.404600     -0.4540000      0.3846000    
 H    2.202100      -2.821800     -0.6368000    
 H   -2.530400      -3.802300      0.1222000    
 H    3.028000      -1.887200       1.007700    
 H   -1.016100       4.854400     -0.8980000    
 H   -1.483700       4.014100       1.399600    
 H    4.178700       2.696600     -0.3620000    
 H    1.437400      -5.097300     -0.5753000    
 H  -0.9562000      -5.599000     -0.1658000    
 H    5.323600      -1.148400       1.083300    
 H    5.934000       1.149100      0.3758000    


%chk=000125404-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125404

0 1
O -0.299797 4.261723 -0.784308
O -1.784887 3.236442 1.338719
C -0.194817 0.548737 -0.218260
C -1.617721 0.254339 -0.043657
C 0.219431 1.899368 -0.525741
C -0.855334 2.896305 -0.917406
C -2.102727 2.763579 -0.021118
C -2.566712 1.323243 0.062391
C 0.780326 -0.476122 -0.059200
C -2.056494 -1.098335 0.139511
C 0.324326 -1.875147 -0.134870
C -1.079048 -2.185393 -0.008195
C 2.175073 -0.082196 0.132596
C 1.561313 2.238237 -0.543751
C 2.560529 1.284785 -0.151608
C -3.918115 1.049387 0.319228
C -3.432732 -1.339999 0.424623
C -4.354573 -0.286851 0.505167
C 1.218197 -2.944244 -0.463492
C -1.495588 -3.547595 -0.091961
C 3.179039 -0.941619 0.693629
C 3.924972 1.689763 -0.004162
C 0.781668 -4.272905 -0.557523
C -0.585102 -4.584338 -0.337292
C 4.501106 -0.512596 0.863089
C 4.891873 0.803366 0.477475
H -1.162038 2.714396 -1.971642
H -2.916560 3.397507 -0.441725
H 1.854591 3.259207 -0.804356
H -4.627455 1.879830 0.409743
H -3.785440 -2.360704 0.596328
H -5.406849 -0.494723 0.725806
H 2.256277 -2.715399 -0.711633
H -2.556463 -3.795908 0.001384
H 2.897286 -1.930695 1.062117
H -0.863591 4.891663 -1.300676
H -1.116630 3.968539 1.225996
H 4.192975 2.724143 -0.249395
H 1.491488 -5.062979 -0.825448
H -0.934679 -5.620387 -0.401628
H 5.235638 -1.187950 1.315564
H 5.932246 1.124723 0.595880


