%chk=000112104.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112104

0 1
 O    5.826000     -0.6813000       1.055300    
 O   -6.404500     -0.2074000      0.2405000    
 O    4.940300      -1.199100     -0.9801000    
 C    1.494300      0.9706000      0.3031000    
 C    2.332200     -0.2770000     -4.0100001E-02
 C   6.1900001E-02  0.9060000     -0.2363000    
 C  -0.6501000     -0.3578000      0.3282000    
 C   -2.122700     -0.4909000     -0.2327000    
 C    1.664100      -1.481400      0.6372000    
 C    3.681300      0.1480000      0.5809000    
 C   0.2048000      -1.646500      0.1789000    
 C    2.388800       2.129300     -0.1236000    
 C    3.806300       1.646200      0.2320000    
 C  -0.7216000       2.170000      0.1484000    
 C   -2.844400      0.8636000     -0.1973000    
 C    2.475500     -0.5357000      -1.562300    
 C   -2.896200      -1.504300      0.6628000    
 C   -2.201400       2.029600     -1.2600000E-02
 C   -2.124200     -0.9954000      -1.695900    
 C   -4.345300      0.8503000     -0.3736000    
 C   -4.404200      -1.538400      0.4180000    
 C    4.857300     -0.6487000      0.1078000    
 C   -5.018400     -0.1495000      0.5614000    
 H    1.412700       1.037300       1.401500    
 H   8.2599998E-02  0.8585000      -1.330200    
 H  -0.7363000     -0.1922000       1.414600    
 H    1.675000      -1.357400       1.727800    
 H    2.222300      -2.401600      0.4266000    
 H    3.615100      3.9200000E-02   1.673000    
 H   0.2133000      -1.980300     -0.8631000    
 H  -0.2438000      -2.459600      0.7604000    
 H    2.140900       3.058600      0.3989000    
 H    2.309300       2.320300      -1.199700    
 H    4.493400       1.828600     -0.6019000    
 H    4.195300       2.198500       1.095300    
 H  -0.3782000       3.006500     -0.4723000    
 H  -0.5217000       2.446600       1.191100    
 H    3.130100      0.1876000      -2.059700    
 H    2.836400      -1.548200      -1.772200    
 H    1.514100     -0.4754000      -2.080100    
 H   -2.733400      -1.257800       1.721000    
 H   -2.503700      -2.518000      0.5189000    
 H   -2.770000       2.955800      2.4200000E-02
 H   -1.757500      -2.024300      -1.769300    
 H   -3.127900     -0.9995000      -2.134000    
 H   -1.500900     -0.3693000      -2.342500    
 H   -4.779100       1.844000     -0.2020000    
 H   -4.591700      0.6127000      -1.416300    
 H   -4.626500      -1.950000     -0.5741000    
 H   -4.880800      -2.224000       1.129500    
 H   -4.929600      0.1847000       1.602400    
 H    6.605800      -1.200200      0.7641000    
 H   -6.771200      0.6853000      0.3594000    


%chk=000112104-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112104

0 1
O 5.046778 -1.735948 0.958439
O -6.470721 -0.381026 0.306255
O 5.720678 -0.355069 -0.775728
C 1.508445 1.052618 0.243635
C 2.362676 -0.222488 -0.038502
C 0.060158 0.960663 -0.276772
C -0.639820 -0.299569 0.327342
C -2.107085 -0.486252 -0.220201
C 1.689519 -1.410367 0.684720
C 3.735842 0.255466 0.584261
C 0.227463 -1.586516 0.194948
C 2.409580 2.223349 -0.216724
C 3.856916 1.758396 0.163370
C -0.732626 2.234933 0.099414
C -2.859129 0.861392 -0.187860
C 2.540004 -0.515168 -1.552311
C -2.862858 -1.495644 0.715373
C -2.228640 2.056811 -0.028116
C -2.111419 -1.029285 -1.683585
C -4.374073 0.805158 -0.357967
C -4.384885 -1.584166 0.464712
C 4.922120 -0.579966 0.162227
C -5.036497 -0.205723 0.606806
H 1.430914 1.121971 1.354771
H 0.069680 0.877206 -1.383286
H -0.741745 -0.089611 1.417847
H 1.694591 -1.218352 1.777950
H 2.255104 -2.348000 0.523387
H 3.641989 0.162855 1.682794
H 0.244216 -1.921902 -0.858543
H -0.239884 -2.406055 0.773011
H 2.141391 3.177359 0.270276
H 2.318883 2.378545 -1.308640
H 4.554853 1.857816 -0.685614
H 4.269267 2.356623 0.995215
H -0.403952 3.083909 -0.533555
H -0.482164 2.529895 1.143615
H 3.116306 0.276074 -2.061752
H 3.086854 -1.464712 -1.700263
H 1.569367 -0.609545 -2.066505
H -2.691363 -1.190285 1.768974
H -2.420030 -2.502732 0.599038
H -2.837455 2.973361 0.006962
H -1.754968 -2.074401 -1.725219
H -3.126434 -1.012965 -2.116201
H -1.466533 -0.415116 -2.337530
H -4.800604 1.817097 -0.207147
H -4.647007 0.491276 -1.386724
H -4.601479 -1.969092 -0.549982
H -4.850101 -2.286598 1.180723
H -4.910842 0.157082 1.652393
H 5.822578 -2.267428 0.628988
H -6.920058 0.500728 0.362584


