%chk=000108130.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108130

0 1
 O   -4.948300      0.7474000     -0.2067000    
 O   -3.613100       2.409400      0.9142000    
 O  -0.7918000       2.234400       1.176600    
 O   0.8973000       2.072700      -1.260500    
 O    4.774300     -0.2698000      0.1998000    
 O    3.607100       1.883300      -1.084400    
 C   -1.050900      -3.279300     -0.5149000    
 C   0.2034000      -3.389800      0.4123000    
 C   -1.040400      -2.028400      -1.425500    
 C   0.4105000      -2.157000       1.324100    
 C   -1.648700     -0.8037000     -0.7693000    
 C    1.215200      -1.053300      0.6677000    
 C  -0.8549000      0.1712000     -0.1000000    
 C   0.6088000      3.7900001E-02  8.2999999E-03
 C   -1.188100      -4.521400      -1.413700    
 C   0.1219000      -4.637400       1.309900    
 C   -3.049200     -0.6533000     -0.8274000    
 C   -1.487600       1.288500      0.4856000    
 C    2.619600      -1.138200      0.7149000    
 C    1.437100       1.020300     -0.5705000    
 C   -3.620100      0.4537000     -0.2382000    
 C   -2.860000       1.399700      0.3995000    
 C    3.418700     -0.1561000      0.1336000    
 C    2.827300      0.9249000     -0.5075000    
 C   -4.936800       1.990600      0.5241000    
 C  -0.6310000       2.025600       2.578200    
 C   0.6971000       1.888400      -2.657200    
 C    5.420700      0.3246000       1.324000    
 C    3.462200       3.215000     -0.5969000    
 H   -1.945900      -3.251000      0.1220000    
 H    1.089700      -3.516900     -0.2245000    
 H   -1.627600      -2.218400      -2.335000    
 H  -3.1300001E-02  -1.823800      -1.802200    
 H   0.9596000      -2.446200       2.231300    
 H  -0.5479000      -1.784200       1.704500    
 H   -2.039500      -4.419000      -2.095800    
 H  -0.2868000      -4.674200      -2.016500    
 H   -1.371200      -5.426700     -0.8281000    
 H   0.9778000      -4.685300       1.992500    
 H  -0.7926000      -4.631500       1.912400    
 H   0.1449000      -5.560200      0.7237000    
 H   -3.669600      -1.391700      -1.326300    
 H    3.092500      -1.982600       1.213000    
 H   -5.381500       2.771300     -0.1038000    
 H   -5.547900       1.873300       1.426300    
 H  -0.1484000       1.064300       2.779600    
 H   -1.600300       2.070300       3.084600    
 H   4.9000001E-03   2.823400       2.971400    
 H    1.655500       1.765900      -3.171300    
 H   0.2040000       2.780900      -3.052200    
 H   5.6800000E-02   1.023000      -2.853900    
 H    5.074500     -0.1380000       2.253600    
 H    5.237000       1.403200       1.350100    
 H    6.496800      0.1557000       1.229000    
 H    3.082800       3.243300      0.4308000    
 H    2.806700       3.787100      -1.259300    
 H    4.449200       3.686800     -0.6082000    


%chk=000108130-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108130

0 1
O -5.061523 0.532916 0.124244
O -3.814824 2.064131 1.472875
O -0.759210 1.819621 1.790441
O 0.820339 2.089501 -0.722310
O 4.824545 -0.606783 0.412405
O 3.623514 1.879567 -0.719383
C -0.997961 -3.461799 -0.665959
C 0.182021 -3.677825 0.334519
C -0.992526 -2.056411 -1.365406
C 0.406597 -2.486164 1.330187
C -1.653519 -0.933337 -0.574702
C 1.214654 -1.316906 0.783168
C -0.892318 -0.011118 0.201989
C 0.591775 -0.134762 0.284698
C -1.004291 -4.555783 -1.764047
C -0.021164 -4.972575 1.162048
C -3.071902 -0.804262 -0.665158
C -1.539011 1.043985 0.929149
C 2.623995 -1.396951 0.799766
C 1.419080 0.916571 -0.182646
C -3.669507 0.249158 0.022443
C -2.932367 1.158926 0.803906
C 3.449665 -0.340107 0.349604
C 2.837906 0.844135 -0.153778
C -5.126266 1.845828 0.808405
C -1.021914 3.272799 1.807490
C 0.754983 2.068557 -2.200349
C 5.799721 0.494123 0.483655
C 3.535230 3.184348 -0.024274
H -1.944354 -3.541665 -0.088316
H 1.111959 -3.788097 -0.264652
H -1.541458 -2.165088 -2.321254
H 0.048401 -1.792574 -1.628322
H 0.950807 -2.892575 2.204543
H -0.574293 -2.138688 1.703642
H -1.879415 -4.437586 -2.430211
H -0.093718 -4.483890 -2.390486
H -1.044750 -5.575479 -1.343632
H 0.849235 -5.157148 1.818935
H -0.915874 -4.884001 1.808747
H -0.150418 -5.865343 0.526002
H -3.664973 -1.499775 -1.264775
H 3.123685 -2.287813 1.194764
H -5.285158 2.640086 0.051980
H -5.913255 1.814936 1.576142
H -2.061246 3.490081 2.109442
H -0.808626 3.695690 0.809048
H -0.316387 3.678466 2.548316
H 1.769425 1.978081 -2.631093
H 0.299961 3.027177 -2.495478
H 0.117702 1.230426 -2.541866
H 5.547898 1.193632 1.304376
H 5.851076 1.046641 -0.467442
H 6.758077 -0.002749 0.702108
H 3.944018 3.101547 1.002263
H 2.487443 3.528126 0.011365
H 4.151017 3.876900 -0.619324


