%chk=000101676.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101676

0 1
 O   -2.570300      -1.065700      -1.124500    
 O  -0.1331000       2.316700       1.198000    
 O   -4.649000     -0.3671000     -0.4792000    
 O    4.341100      0.6458000     -0.9762000    
 C   -1.260000      0.6084000     -0.1376000    
 C    1.651800     -0.9117000      0.7635000    
 C   -1.203400     -0.7770000     -0.7743000    
 C   0.8686000      -2.054700      6.4499997E-02
 C  -0.1420000      0.9295000      0.8615000    
 C  -0.6689000      -1.915100      0.1028000    
 C    1.214700      0.4882000      0.3840000    
 C   -2.656700      0.6366000      0.4926000    
 C    3.142000     -0.9366000      0.3887000    
 C    2.125100       1.196100     -0.3007000    
 C   -3.432000     -0.2884000     -0.4074000    
 C    1.248600      -3.406800      0.6927000    
 C    3.319100      0.3356000     -0.3815000    
 C   -3.284200       2.020600      0.5440000    
 C    2.088700       2.545600     -0.9108000    
 H   -1.240500       1.354600     -0.9461000    
 H    1.562600      -1.031100       1.851700    
 H  -0.6406000     -0.7367000      -1.714300    
 H    1.169300      -2.093200     -0.9919000    
 H  -0.3495000      0.4174000       1.809500    
 H   -1.111700      -2.852100     -0.2628000    
 H   -1.024700      -1.816300       1.135900    
 H   -2.650400      0.1861000       1.492300    
 H    3.424200      -1.784900     -0.2403000    
 H    3.774800     -0.9048000       1.281300    
 H   0.7518000      -4.231300      0.1695000    
 H    2.325500      -3.591700      0.6388000    
 H   0.9510000      -3.448400       1.746200    
 H   -2.714600       2.692700       1.191500    
 H   -3.343900       2.470800     -0.4531000    
 H   -4.305500       1.967500      0.9369000    
 H   0.5630000       2.457200       1.862700    
 H    2.710300       3.240400     -0.3380000    
 H    1.073900       2.949800     -0.9584000    
 H    2.467500       2.511800      -1.937600    


%chk=000101676-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101676

0 1
O -2.668640 -1.165756 -0.976568
O -0.248772 2.286313 1.302066
O -4.765642 -0.399529 -0.348977
O 4.414481 0.773547 -1.023611
C -1.269605 0.608070 -0.090140
C 1.716606 -0.972791 0.776044
C -1.232649 -0.832842 -0.695722
C 0.900824 -2.113535 0.070900
C -0.158589 0.855339 0.952345
C -0.642771 -1.968004 0.166147
C 1.214511 0.440692 0.460627
C -2.707591 0.772035 0.468457
C 3.200497 -0.948629 0.317762
C 2.127731 1.193055 -0.242019
C -3.532236 -0.281441 -0.290578
C 1.328445 -3.489011 0.636526
C 3.381498 0.395481 -0.406670
C -3.323134 2.179524 0.327777
C 2.031921 2.582892 -0.813067
H -1.116412 1.338962 -0.906278
H 1.635125 -1.152403 1.869938
H -0.738899 -0.838817 -1.683528
H 1.168380 -2.079123 -1.007929
H -0.388771 0.253692 1.861208
H -1.094715 -2.903272 -0.215299
H -0.967048 -1.878761 1.222324
H -2.731307 0.485497 1.540748
H 3.465311 -1.778880 -0.360677
H 3.905474 -0.995046 1.168296
H 0.860252 -4.312285 0.067473
H 2.423397 -3.628182 0.591967
H 1.018583 -3.591669 1.694261
H -2.736922 2.903979 0.914961
H -3.323005 2.503713 -0.728720
H -4.368778 2.174175 0.680503
H 0.513556 2.516668 1.892311
H 2.810283 3.235859 -0.375162
H 1.044039 3.036812 -0.646435
H 2.247172 2.551471 -1.897361


