%chk=000125321.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125321

0 1
 O  -0.4698000     -0.7035000       1.493700    
 O   -4.286200     -0.1825000      -1.118500    
 O    1.892200      0.3920000       2.636000    
 O    2.510300      -2.830500       1.086000    
 O    1.313400      -3.124800      -1.298700    
 O   -7.306000       2.657000     -0.6137000    
 O    4.480200      0.9695000      -2.204400    
 O    4.607300       2.947200     -0.2577000    
 C    1.608700      -1.792500      0.6984000    
 C   0.6231000      -1.564100       1.846100    
 C   -4.521700      0.2751000      0.2384000    
 C   -3.171000      0.4032000      0.9580000    
 C   -2.362500     -0.5078000      0.1146000    
 C   -1.095200      -1.023400      0.3271000    
 C  -0.5280000      -1.805200     -0.6813000    
 C   0.8426000      -2.320900     -0.5006000    
 C    2.407100     -0.5356000      0.4265000    
 C   -5.283500       1.589200      0.1900000    
 C    1.358300     -0.8858000       3.000600    
 C   -3.051400     -0.7761000      -1.058800    
 C    2.505400      0.4601000       1.411700    
 C   -1.232200      -2.076700      -1.869900    
 C   -2.511300      -1.552900      -2.065000    
 C   -6.611000       1.418100     -0.5588000    
 C    3.094100     -0.3474000     -0.7840000    
 C   -5.514600       2.130700       1.605100    
 C    3.235300       1.628900       1.171300    
 C    3.830300      0.8158000      -1.016900    
 C    3.897100       1.805600     -4.1200001E-02
 C    3.758200       1.597700      -3.261700    
 C    5.980700       2.939600      0.1276000    
 H   0.2059000      -2.513000       2.210600    
 H   -5.130200     -0.4977000      0.7308000    
 H   -3.236100      8.2500003E-02   2.001500    
 H   -2.753600       1.414100      0.9001000    
 H   -4.696500       2.337000     -0.3605000    
 H   0.6601000     -0.7021000       3.824900    
 H    2.171200      -1.509700       3.390700    
 H  -0.7896000      -2.681900      -2.656800    
 H   -3.056900      -1.750100      -2.981100    
 H   -6.444400       1.084100      -1.587900    
 H   -7.252500      0.6869000     -5.5100001E-02
 H    1.988000      -3.597800       1.376500    
 H    3.064300      -1.111100      -1.557100    
 H   -4.572600       2.335300       2.122900    
 H   -6.087200       1.419500       2.210500    
 H   -6.070900       3.073700       1.581500    
 H    3.291000       2.401300       1.935100    
 H   -8.137800       2.496900      -1.091000    
 H    3.468100       2.614700      -2.979400    
 H    2.870500       1.011800      -3.520700    
 H    4.410300       1.650600      -4.137700    
 H    6.530700       2.168600     -0.4211000    
 H    6.075400       2.774000       1.205500    
 H    6.410000       3.915300     -0.1155000    


%chk=000125321-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125321

0 1
O -0.494834 -0.941366 1.718511
O -4.272077 -0.324853 -1.045004
O 1.908833 0.245884 2.867131
O 2.614927 -2.981021 1.322351
O 1.481680 -3.316627 -1.114353
O -6.877653 2.994864 -0.991119
O 4.188936 1.006454 -2.241744
O 4.397651 3.032404 -0.136842
C 1.654026 -1.956350 0.887789
C 0.684468 -1.778073 2.076885
C -4.581417 0.280492 0.328376
C -3.236121 0.237769 1.118832
C -2.367331 -0.660177 0.261304
C -1.095252 -1.201564 0.486036
C -0.470914 -1.988818 -0.540480
C 0.884897 -2.493645 -0.345546
C 2.347454 -0.631239 0.573699
C -5.196276 1.673591 0.132779
C 1.385608 -1.081567 3.235729
C -3.015739 -0.915501 -0.966278
C 2.456567 0.370157 1.578190
C -1.171326 -2.230118 -1.760192
C -2.446939 -1.699553 -1.999462
C -6.396446 1.612244 -0.829373
C 2.936074 -0.380530 -0.689355
C -5.611637 2.268324 1.499753
C 3.146129 1.576016 1.325892
C 3.612250 0.820491 -0.959961
C 3.738555 1.802014 0.071029
C 3.545140 2.074512 -3.041480
C 5.835431 2.921884 -0.483683
H 0.323249 -2.776190 2.393254
H -5.326319 -0.410684 0.770916
H -3.373258 -0.151659 2.141575
H -2.790878 1.246805 1.209796
H -4.433472 2.331089 -0.329820
H 0.691750 -0.889623 4.068544
H 2.220798 -1.726487 3.569071
H -0.665862 -2.840154 -2.516054
H -2.986247 -1.875881 -2.932762
H -6.076176 1.185106 -1.799495
H -7.194355 0.966910 -0.397260
H 2.837755 -3.504643 0.499361
H 2.867334 -1.122789 -1.491568
H -4.742635 2.405005 2.167702
H -6.341502 1.611744 2.012696
H -6.089184 3.248143 1.340356
H 3.239123 2.329310 2.112350
H -7.565687 3.022032 -1.701140
H 3.594977 3.045900 -2.515994
H 2.489393 1.813329 -3.246514
H 4.110551 2.117875 -3.984979
H 5.978932 2.293184 -1.380072
H 6.395389 2.494895 0.369642
H 6.168760 3.953586 -0.672421


