%chk=000169727.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169727

0 1
 O   -3.260100      0.7741000      5.2499998E-02
 O   -2.404100      -1.329200      0.5887000    
 O   -7.108400     -0.4644000      0.7763000    
 O   -6.636600       1.950800     -0.7403000    
 O   -4.985400      -2.440200      0.2565000    
 O    4.151200       1.620700       1.552200    
 O    5.971300       2.978900     -6.5899998E-02
 O   -2.604500       3.185600      -1.092500    
 C    5.580700      0.6244000     -0.1693000    
 C    5.265200     -0.5783000      -1.104200    
 C    3.884000      -1.000700     -0.7108000    
 C    3.346900     -0.2251000      0.3079000    
 C    4.325200      0.7835000      0.6839000    
 C   -5.944800     -0.2436000     -2.2399999E-02
 C   -5.635500       1.253400     -3.5000001E-03
 C   -4.779100      -1.056700      0.5407000    
 C   -4.264400       1.532600     -0.6236000    
 C   -3.451000     -0.6320000     -8.5800000E-02
 C    2.083400     -0.4359000      0.8288000    
 C    5.817600       1.904300     -0.9729000    
 C    6.776000      0.3253000      0.7372000    
 C    1.333900      -1.481200      0.2897000    
 C    3.140300      -2.039500      -1.248000    
 C    1.858200      -2.277900     -0.7419000    
 C  -4.0700000E-02  -1.760000      0.8131000    
 C   -1.127600     -0.9885000      6.3000001E-02
 C   -3.882700       3.005200     -0.5105000    
 C    1.533700      0.4130000       1.923900    
 C    1.057200      -3.398800      -1.322700    
 H    5.282000     -0.2896000      -2.161000    
 H    5.967200      -1.406300     -0.9564000    
 H   -6.196300     -0.5806000      -1.035600    
 H   -5.673400       1.620300       1.029500    
 H   -4.740400     -0.9597000       1.632200    
 H   -4.249600       1.259200      -1.687600    
 H   -3.418200     -0.9113000      -1.147800    
 H    4.978300       2.133800      -1.639000    
 H    6.725500       1.829600      -1.580200    
 H    7.690600      0.1862000      0.1506000    
 H    6.608600     -0.5880000       1.320500    
 H    6.954400       1.130500       1.458500    
 H    3.554800      -2.649800      -2.044600    
 H  -0.1152000      -1.577900       1.892100    
 H  -0.2717000      -2.831400      0.7633000    
 H   -1.102500      -1.227200      -1.006300    
 H  -0.9512000      8.8000000E-02  0.1679000    
 H   -3.821500       3.324200      0.5352000    
 H   -4.594100       3.649600      -1.034800    
 H    1.774900       1.467600       1.757300    
 H    1.950900      0.1006000       2.886600    
 H   0.4453000      0.4074000       2.005500    
 H   8.7899998E-02  -3.052600      -1.691500    
 H    1.569100      -3.851900      -2.179600    
 H   0.9122000      -4.193500     -0.5839000    
 H   -7.825400      7.5199999E-02  0.4014000    
 H   -6.605600       1.637100      -1.660200    
 H   -5.023500      -2.547300     -0.7094000    
 H    5.099100       3.183300      0.3111000    
 H   -1.982200       2.605000     -0.6218000    


%chk=000169727-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169727

0 1
O -3.510396 0.932494 0.169346
O -2.398737 -1.105467 0.498126
O -7.182592 -1.070026 0.256561
O -7.143476 1.758653 -0.527594
O -4.788357 -2.550226 -0.291285
O 4.387865 2.003012 1.124452
O 6.727988 2.867466 -0.209309
O -3.151045 3.658132 -0.580973
C 5.821176 0.523857 -0.260356
C 5.410002 -0.660063 -1.184878
C 4.005200 -1.040074 -0.740777
C 3.475405 -0.107357 0.192410
C 4.503600 0.927841 0.451335
C -5.998509 -0.414940 -0.304923
C -5.956756 1.082012 0.040071
C -4.786721 -1.189404 0.242485
C -4.625232 1.686475 -0.451538
C -3.479923 -0.515816 -0.203274
C 2.158940 -0.244365 0.723589
C 6.366050 1.744064 -1.064771
C 6.852113 0.084060 0.816051
C 1.381453 -1.361696 0.297645
C 3.231827 -2.136515 -1.150529
C 1.921340 -2.309796 -0.635473
C -0.040978 -1.539855 0.816483
C -1.066311 -0.818898 -0.077065
C -4.405629 3.144045 -0.033560
C 1.623684 0.755129 1.735398
C 1.120039 -3.524693 -1.072139
H 5.403903 -0.347907 -2.249371
H 6.113651 -1.508404 -1.106021
H -6.002319 -0.517927 -1.417326
H -6.064817 1.227412 1.128845
H -4.827867 -1.186649 1.351119
H -4.553427 1.605018 -1.563005
H -3.355941 -0.589637 -1.310815
H 5.609555 2.046649 -1.824635
H 7.293397 1.455854 -1.592706
H 7.795728 -0.223147 0.328374
H 6.471250 -0.768019 1.408312
H 7.077470 0.921519 1.497362
H 3.631541 -2.865149 -1.865348
H -0.144803 -1.141518 1.840182
H -0.322582 -2.605860 0.861101
H -1.029713 -1.198881 -1.119878
H -0.890269 0.273776 -0.090204
H -4.421841 3.207660 1.074838
H -5.202985 3.784774 -0.441955
H 2.320150 1.597022 1.859866
H 1.481997 0.276335 2.724004
H 0.638713 1.155694 1.433702
H 0.125339 -3.252326 -1.469487
H 1.653386 -4.087314 -1.856276
H 0.944077 -4.216350 -0.225864
H -7.968718 -0.494894 0.065906
H -7.059371 1.781735 -1.517172
H -5.669576 -2.948240 -0.068019
H 5.960895 3.019574 0.413762
H -2.428942 3.051453 -0.272702


