%chk=000031453.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031453

0 1
 O  -0.2488000     -0.1838000      -1.409200    
 O  -0.1129000       1.003400      0.6965000    
 O    2.630800       1.811400      0.2276000    
 C    1.738200     -0.4071000     -3.1199999E-02
 C    2.125100      -1.893900      2.9200001E-02
 C    2.997200      0.4391000      0.2192000    
 C    1.171900     -5.6899998E-02  -1.423200    
 C   0.6791000     -0.1274000       1.055500    
 C    2.715500      -2.225600       1.392500    
 C   0.9113000      -2.762800     -0.2689000    
 C  -0.8286000      0.7918000     -0.5307000    
 C    4.048500      0.1981000     -0.8468000    
 C   -2.267800      0.4463000     -0.2173000    
 C    3.755100       2.651100      0.4553000    
 C   -3.188800       1.460500      5.3199999E-02
 C   -2.679400     -0.8879000     -0.1974000    
 C   -4.515600       1.141800      0.3424000    
 C   -4.006300      -1.206500      9.1799997E-02
 C   -4.924400     -0.1917000      0.3615000    
 H    2.858700      -2.155200     -0.7394000    
 H    3.420000      0.2257000       1.206100    
 H    1.405800      0.9665000      -1.740700    
 H    1.565900     -0.7158000      -2.205100    
 H  -1.0700000E-02 -0.9440000       1.268200    
 H    1.154400      0.1177000       2.012400    
 H    2.869500      -3.309500       1.468300    
 H    3.703800      -1.784000       1.545700    
 H    2.070600      -1.952500       2.232000    
 H    1.237500      -3.809700     -0.3307000    
 H   0.4471000      -2.551600      -1.234800    
 H   0.1442000      -2.753900      0.5079000    
 H  -0.8186000       1.746800      -1.071100    
 H    3.748300      0.5864000      -1.825700    
 H    4.985600      0.7099000     -0.5989000    
 H    4.338900     -0.8477000     -0.9581000    
 H    4.391700       2.277300       1.263800    
 H    3.377200       3.633600      0.7542000    
 H    4.329000       2.795800     -0.4644000    
 H   -2.882200       2.503100      4.3200001E-02
 H   -1.984800      -1.697600     -0.3987000    
 H   -5.230500       1.931800      0.5532000    
 H   -4.324500      -2.244800      0.1082000    
 H   -5.957300     -0.4399000      0.5871000    


%chk=000031453-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031453

0 1
O -0.243548 -0.203500 -1.571350
O -0.082268 1.394310 0.240700
O 2.894119 1.867727 -0.253884
C 1.768710 -0.293790 -0.093717
C 1.954682 -1.834938 0.189719
C 3.140383 0.446639 0.071629
C 1.228664 -0.046234 -1.537305
C 0.716666 0.333198 0.886437
C 2.479024 -2.128828 1.621389
C 0.690244 -2.692265 -0.076717
C -0.917695 0.875831 -0.846750
C 4.295383 -0.095706 -0.797011
C -2.267239 0.350694 -0.359986
C 3.821653 2.793552 0.387855
C -2.921647 1.012366 0.708292
C -2.900048 -0.747063 -0.992301
C -4.192920 0.576511 1.144289
C -4.173204 -1.179968 -0.556935
C -4.824091 -0.519644 0.510964
H 2.724257 -2.189499 -0.527379
H 3.434318 0.387951 1.144552
H 1.505450 0.969864 -1.874356
H 1.602101 -0.797917 -2.252463
H 0.035073 -0.445321 1.281762
H 1.206550 0.845291 1.729739
H 2.584401 -3.219979 1.765812
H 3.466000 -1.673283 1.821539
H 1.772771 -1.764168 2.391095
H 0.939394 -3.761050 0.065659
H 0.301582 -2.556769 -1.098689
H -0.134232 -2.447603 0.617558
H -1.040011 1.757919 -1.510738
H 4.016804 -0.106219 -1.865211
H 5.187392 0.547171 -0.688431
H 4.590457 -1.117521 -0.499606
H 3.818817 2.668559 1.492311
H 3.462130 3.803932 0.136267
H 4.862892 2.678302 0.018893
H -2.420487 1.853862 1.199108
H -2.385290 -1.257450 -1.811662
H -4.689897 1.090727 1.974917
H -4.655837 -2.031606 -1.050143
H -5.811800 -0.855784 0.846849


