%chk=000101819.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101819

0 1
 O   -5.041000     -0.9612000      0.3565000    
 O    6.104500     -6.1600000E-02 -0.2631000    
 C  -0.4311000      0.8289000      0.2796000    
 C   -1.871800      0.7555000     -0.2451000    
 C   0.3512000     -0.4292000     -0.2199000    
 C   -2.623400     -0.5094000      0.2240000    
 C    1.858200     -0.4032000      0.2345000    
 C    2.479300      0.9334000     -0.2857000    
 C   -4.044800     -0.2309000     -0.3563000    
 C  -0.3961000      -1.747500      0.1115000    
 C   -1.872500      -1.733500     -0.3269000    
 C   0.2613000       2.126700     -0.1626000    
 C   -2.831200       1.889300      0.1016000    
 C    1.734700       2.167000      0.2357000    
 C   -4.233500       1.291500     -0.1159000    
 C    2.647700      -1.575000     -0.4162000    
 C    3.986200       1.034400     -1.8600000E-02
 C   -2.714600     -0.6372000       1.773300    
 C    1.970800     -0.5355000       1.775200    
 C    4.160200      -1.487300     -0.2010000    
 C    4.733900     -0.1433000     -0.6401000    
 C   -4.227600     -0.5720000      -1.840600    
 H  -0.4553000      0.8374000       1.373900    
 H   0.3597000     -0.3704000      -1.320200    
 H   -1.797400      0.7390000      -1.343200    
 H    2.364200      0.9427000      -1.381100    
 H  -0.3394000      -1.964600       1.182100    
 H   8.9900002E-02  -2.587700     -0.3970000    
 H   -1.888600      -1.736100      -1.423200    
 H   -2.361500      -2.661000     -6.3000000E-03
 H  -0.2462000       2.993300      0.2769000    
 H   0.1826000       2.235700      -1.252000    
 H   -2.672700       2.766800     -0.5338000    
 H   -2.712500       2.210900       1.142400    
 H    2.185300       3.076600     -0.1802000    
 H    1.826700       2.247100       1.324800    
 H   -4.864300       1.488800      0.7590000    
 H   -4.722400       1.775500     -0.9692000    
 H    2.451400      -1.591400      -1.496500    
 H    2.303500      -2.538400     -2.2500001E-02
 H    4.382400       1.966400     -0.4428000    
 H    4.199200       1.099600       1.055200    
 H   -1.737000     -0.6505000       2.261200    
 H   -3.281300      0.1818000       2.227600    
 H   -3.216800      -1.570900       2.052900    
 H    1.624500      -1.517100       2.115100    
 H    3.000800     -0.4339000       2.128100    
 H    1.385500      0.2177000       2.308000    
 H    4.410200      -1.674900      0.8503000    
 H    4.655700      -2.292900     -0.7573000    
 H    4.686000     -6.3299999E-02  -1.732800    
 H   -3.505500     -6.5800004E-02  -2.486700    
 H   -4.152000      -1.652500      -2.005700    
 H   -5.232500     -0.2897000      -2.177500    
 H   -5.912300     -0.6519000      5.5000000E-02
 H    6.566700     -0.8117000     -0.6744000    


%chk=000101819-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101819

0 1
O -5.056062 -1.061011 0.356110
O 6.179884 -0.035172 -0.377309
C -0.431260 0.847098 0.307555
C -1.875899 0.771864 -0.230198
C 0.354338 -0.415857 -0.187943
C -2.641761 -0.508977 0.227483
C 1.867714 -0.402051 0.261515
C 2.500687 0.938725 -0.266800
C -4.067321 -0.230805 -0.378785
C -0.395312 -1.733366 0.165776
C -1.876722 -1.744366 -0.305314
C 0.271362 2.153761 -0.134506
C -2.855179 1.934062 0.084070
C 1.761241 2.184288 0.269549
C -4.277218 1.304531 -0.104257
C 2.634795 -1.578488 -0.423025
C 4.029150 1.014482 -0.038434
C -2.779199 -0.602315 1.773638
C 1.993077 -0.535787 1.804942
C 4.169076 -1.514529 -0.218704
C 4.744234 -0.169008 -0.702215
C -4.201437 -0.561499 -1.880731
H -0.469302 0.841026 1.416830
H 0.367914 -0.344986 -1.302998
H -1.781413 0.713442 -1.338706
H 2.341737 0.929203 -1.371380
H -0.354450 -1.906744 1.257836
H 0.123439 -2.591091 -0.303102
H -1.888834 -1.742936 -1.413821
H -2.369467 -2.679830 0.024880
H -0.259170 3.026755 0.293039
H 0.195857 2.244955 -1.240153
H -2.693238 2.802195 -0.579017
H -2.714518 2.289230 1.122901
H 2.243080 3.099048 -0.130078
H 1.856125 2.237416 1.372794
H -4.886202 1.418629 0.810733
H -4.830052 1.785641 -0.933103
H 2.412101 -1.560163 -1.511869
H 2.265939 -2.548822 -0.041022
H 4.425384 1.958712 -0.458983
H 4.279546 1.019341 1.040091
H -1.797626 -0.693002 2.268515
H -3.289285 0.279181 2.198984
H -3.385735 -1.484842 2.034665
H 1.679771 -1.542290 2.137352
H 3.032101 -0.389762 2.146572
H 1.368343 0.200294 2.339469
H 4.427301 -1.642092 0.850199
H 4.649657 -2.351873 -0.766843
H 4.605482 -0.101161 -1.806832
H -3.460127 -0.020714 -2.495989
H -4.079222 -1.644485 -2.053851
H -5.205273 -0.266163 -2.245633
H -5.944806 -0.921397 -0.059231
H 6.663756 -0.813791 -0.754666


