%chk=000096701.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096701

0 1
 O    1.647300      -1.350300      0.4091000    
 O   -1.550900      -1.360400     -0.8107000    
 O   0.6121000      -3.924600      0.6323000    
 C   0.1322000      -3.035100     -0.3786000    
 C    1.266100      -2.087500     -0.7477000    
 C   -1.072000      -2.277000      0.1681000    
 C    2.158000     -9.7000003E-02  0.1999000    
 C   -2.183000     -0.2380000     -0.3458000    
 C    1.984900      0.9043000       1.150400    
 C   -2.133400      0.9508000      -1.067200    
 C    2.852000      0.1603000     -0.9785000    
 C   -2.875000     -0.3041000      0.8596000    
 C    2.510800       2.175600      0.9203000    
 C   -2.782000       2.084700     -0.5782000    
 C    1.244600      0.6392000       2.419700    
 C   -1.396300       1.033100      -2.363100    
 C    3.377800       1.431800      -1.208600    
 C   -3.523500      0.8300000       1.348700    
 C    3.207100       2.439600     -0.2594000    
 C   -3.476900       2.024700      0.6299000    
 H  -0.1514000      -3.625500      -1.256300    
 H   0.9271000      -1.439900      -1.565800    
 H    2.133000      -2.670900      -1.080100    
 H  -0.7835000      -1.779400       1.103800    
 H   -1.865500      -2.995300      0.4094000    
 H    3.036500     -0.6008000      -1.730300    
 H   -2.965000      -1.218900       1.437000    
 H   0.9005000      -3.387300       1.390000    
 H    2.386400       2.971600       1.649600    
 H   -2.755400       3.022900      -1.126000    
 H    1.294200       1.490500       3.107000    
 H   0.1888000      0.4434000       2.207000    
 H    1.672100     -0.2242000       2.940100    
 H   -1.515600       2.011700      -2.840100    
 H  -0.3258000      0.8716000      -2.200000    
 H   -1.770400      0.2799000      -3.064400    
 H    3.926100       1.635800      -2.123700    
 H   -4.070800      0.7818000       2.285600    
 H    3.617600       3.429100     -0.4381000    
 H   -3.983000       2.907200       1.010000    


%chk=000096701-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096701

0 1
O 1.733478 -0.828439 0.497258
O -1.713031 -0.830660 -0.766085
O 0.590236 -3.321267 0.723227
C 0.075329 -2.369905 -0.267449
C 1.183403 -1.419472 -0.737704
C -1.134395 -1.626308 0.327191
C 2.797729 0.091563 0.387102
C -2.863163 -0.063779 -0.489760
C 3.282690 0.606684 1.624272
C -3.369779 0.682143 -1.594611
C 3.354557 0.491419 -0.849484
C -3.488765 -0.018685 0.778246
C 4.345347 1.536781 1.573830
C -4.522129 1.470883 -1.380490
C 2.666250 0.161731 2.935052
C -2.677589 0.616784 -2.940817
C 4.417560 1.423857 -0.863958
C -4.640344 0.782219 0.958609
C 4.916606 1.949718 0.345836
C -5.161537 1.529215 -0.118137
H -0.263030 -2.977063 -1.124701
H 0.764886 -0.633372 -1.394076
H 1.977581 -1.982744 -1.264982
H -0.815905 -0.964850 1.157870
H -1.865774 -2.368062 0.701207
H 2.973621 0.092084 -1.793807
H -3.094268 -0.594602 1.620516
H 1.175588 -2.805489 1.339694
H 4.729788 1.943927 2.516720
H -4.923760 2.049747 -2.221008
H 3.150200 0.665596 3.788713
H 1.583851 0.385862 2.965947
H 2.767618 -0.930939 3.077257
H -3.212679 1.225448 -3.689470
H -1.636387 0.984197 -2.872515
H -2.618516 -0.423684 -3.309885
H 4.848662 1.734040 -1.822154
H -5.123806 0.816554 1.941257
H 5.739096 2.672472 0.338071
H -6.053417 2.149794 0.018118


