%chk=000095451.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095451

0 1
 O   -1.971600       1.133000     -7.9499997E-02
 O    2.482100     -0.6791000     -0.1341000    
 O  -0.3780000       2.084500      -1.427000    
 O    1.974800       1.099900      -1.496400    
 C   0.2325000      0.1613000     -2.9899999E-02
 C  -0.3734000      -1.260700     -0.3807000    
 C   -1.759200      -1.532500      0.2608000    
 C   0.4337000      0.3303000       1.511900    
 C  -0.4280000      -1.502400      -1.901200    
 C   -2.119000      -3.008500      0.4832000    
 C  -0.7121000       1.251400     -0.5916000    
 C    1.645800      0.2654000     -0.6618000    
 C    1.033800       1.653100       1.917400    
 C   -3.514900      -3.220100       1.047700    
 C   -2.938400       2.063600     -0.5775000    
 C    3.828700     -0.6568000     -0.6179000    
 C    2.218700       1.780300       2.525500    
 C   -4.270500       1.794700      8.9400001E-02
 C    4.615100      -1.757400      6.1799999E-02
 H   0.3154000      -2.012800      2.8800000E-02
 H   -1.847200      -1.050800       1.237200    
 H   -2.545800      -1.113800     -0.3784000    
 H  -0.5286000      0.2817000       2.032300    
 H    1.032000     -0.4986000       1.911600    
 H   -1.102700     -0.7968000      -2.396700    
 H  -0.7865000      -2.512900      -2.121500    
 H   0.5602000      -1.409600      -2.361300    
 H   -2.042500      -3.553900     -0.4638000    
 H   -1.387700      -3.456500       1.166400    
 H   0.4563000       2.550500       1.712300    
 H   -3.623000      -2.723400       2.017100    
 H   -3.711300      -4.287600       1.187500    
 H   -4.275000      -2.819100      0.3698000    
 H   -2.611300       3.084800     -0.3530000    
 H   -3.036400       1.942000      -1.661900    
 H    3.829600     -0.8164000      -1.701900    
 H    4.281400      0.3150000     -0.3920000    
 H    2.593600       2.760600       2.798300    
 H    2.832400      0.9170000       2.757600    
 H   -5.034700       2.490500     -0.2680000    
 H   -4.183400       1.892100       1.176700    
 H   -4.602300      0.7707000     -0.1117000    
 H    5.652000      -1.769200     -0.2854000    
 H    4.163200      -2.734200     -0.1393000    
 H    4.607200      -1.621200       1.148300    


%chk=000095451-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095451

0 1
O -1.805014 1.560402 0.108202
O 2.368106 -0.624338 -0.214166
O -1.213225 0.849817 -2.018163
O 1.709817 1.307215 -1.329221
C 0.030801 -0.046076 -0.064965
C -0.327689 -1.576142 -0.324731
C -1.785678 -1.903384 0.108344
C 0.122306 0.224806 1.483967
C -0.064579 -2.017404 -1.784240
C -2.058344 -3.417056 0.277369
C -1.018761 0.826357 -0.783202
C 1.418890 0.305810 -0.642896
C 0.692973 1.576840 1.861813
C -3.498596 -3.705886 0.753676
C -2.879281 2.397309 -0.515062
C 3.782437 -0.336108 -0.608685
C 1.776437 1.753708 2.658472
C -3.590358 3.121834 0.622837
C 4.637457 -1.461494 -0.036039
H 0.364306 -2.140481 0.332541
H -2.021406 -1.407172 1.070324
H -2.491404 -1.489252 -0.641698
H -0.895326 0.137241 1.905343
H 0.748048 -0.575199 1.919403
H -0.696973 -1.455330 -2.492114
H -0.278661 -3.094755 -1.899042
H 0.990562 -1.859917 -2.067606
H -1.879680 -3.945066 -0.679258
H -1.335372 -3.836516 1.006916
H 0.162228 2.451089 1.461594
H -3.699753 -3.224975 1.729806
H -3.675384 -4.790964 0.869111
H -4.240339 -3.318018 0.030169
H -2.401191 3.089453 -1.231115
H -3.552155 1.728672 -1.081928
H 3.830166 -0.283827 -1.711542
H 4.054973 0.655530 -0.204892
H 2.139441 2.754377 2.919058
H 2.329976 0.902219 3.075366
H -4.395916 3.758443 0.213468
H -2.889400 3.766364 1.180413
H -4.041162 2.404245 1.329676
H 5.698073 -1.295292 -0.299269
H 4.328472 -2.439729 -0.442719
H 4.555178 -1.499250 1.063786


