%chk=000090367.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090367

0 1
 O   0.3615000      0.7653000     -0.2818000    
 O  -0.6360000      -1.665200      0.3286000    
 O   -2.976300     -0.1655000     -0.6723000    
 O   -1.331800     -0.6357000       2.265900    
 O   -1.707700       1.219100      -2.003200    
 C  -0.9582000      0.6937000      0.2565000    
 C   -1.198000       1.959000       1.127000    
 C  -0.9608000       3.258200      0.3411000    
 C   -2.619600       2.002300       1.709100    
 C   -1.009300     -0.5916000       1.084600    
 C   -1.903800      0.6342000     -0.9445000    
 C    1.336200      0.8256000      0.7478000    
 C    2.665700      0.4118000      0.1885000    
 C  -0.6328000      -2.927400       1.002800    
 C   -3.927400     -0.3090000      -1.731900    
 C    3.047800     -0.9295000      0.2183000    
 C    3.519300       1.368100     -0.3617000    
 C  -0.1991000      -4.004300      3.1500001E-02
 C   -5.045300      -1.219700      -1.270800    
 C    4.283600      -1.314300     -0.3017000    
 C    4.755000      0.9831000     -0.8819000    
 C    5.137100     -0.3581000     -0.8519000    
 H  -0.5236000       1.966500       1.991700    
 H   -1.040100       4.123100       1.009700    
 H   3.3199999E-02   3.293400     -0.1137000    
 H   -1.702200       3.395100     -0.4528000    
 H   -2.737100       2.887000       2.346000    
 H   -2.860300       1.136900       2.329000    
 H   -3.376800       2.072600      0.9209000    
 H    1.434700       1.853500       1.115800    
 H    1.128100      0.1961000       1.619800    
 H   6.4099997E-02  -2.888000       1.847300    
 H   -1.640900      -3.146100       1.372200    
 H   -4.334500      0.6743000      -1.992400    
 H   -3.434000     -0.7431000      -2.608600    
 H    2.392100      -1.684100      0.6437000    
 H    3.232300       2.415900     -0.3938000    
 H  -0.8765000      -4.043000     -0.8279000    
 H   0.8002000      -3.789200     -0.3613000    
 H  -0.1852000      -4.984900      0.5151000    
 H   -4.650400      -2.201200     -0.9882000    
 H   -5.536400     -0.8074000     -0.3832000    
 H   -5.792100      -1.352400      -2.058500    
 H    4.581000      -2.358700     -0.2786000    
 H    5.419400       1.727500      -1.311000    
 H    6.099200     -0.6578000      -1.257100    


%chk=000090367-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090367

0 1
O 0.439716 0.648073 -0.254649
O -0.774763 -1.749619 0.664499
O -2.982542 -0.279498 -0.625679
O -1.333783 -0.437935 2.500626
O -1.532371 0.721897 -2.147055
C -0.938117 0.630081 0.269593
C -1.321168 2.000362 0.939250
C -0.927748 3.187552 0.029691
C -2.811097 2.094123 1.347404
C -1.072220 -0.545656 1.280968
C -1.802500 0.368146 -0.984502
C 1.499288 0.761981 0.758318
C 2.835707 0.517751 0.076930
C -0.832741 -2.969925 1.530061
C -3.941729 -0.560611 -1.740587
C 2.912928 -0.130739 -1.179326
C 4.029876 0.915609 0.728955
C -0.454069 -4.151493 0.644561
C -5.117527 -1.315340 -1.130691
C 4.172434 -0.383537 -1.769607
C 5.287728 0.655752 0.141253
C 5.362893 0.003261 -1.111906
H -0.726549 2.045345 1.873825
H -1.061148 4.136341 0.580741
H 0.118620 3.118858 -0.311120
H -1.562555 3.225583 -0.873865
H -2.971412 3.031136 1.911319
H -3.113399 1.251635 1.989533
H -3.472799 2.117816 0.462616
H 1.485835 1.766014 1.230845
H 1.340979 0.009248 1.562640
H -0.133142 -2.829314 2.373895
H -1.856576 -3.049752 1.938314
H -4.241126 0.403949 -2.189385
H -3.408767 -1.148944 -2.508945
H 1.985211 -0.410767 -1.685370
H 3.979181 1.432471 1.696453
H -1.158163 -4.254126 -0.198623
H 0.562376 -4.025255 0.234721
H -0.478985 -5.084950 1.235982
H -4.783767 -2.264468 -0.677552
H -5.613173 -0.713001 -0.350209
H -5.860007 -1.546524 -1.916112
H 4.223384 -0.879497 -2.745905
H 6.204392 0.967921 0.654560
H 6.337694 -0.193853 -1.572363


