%chk=000083411.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083411

0 1
 O   -2.084100     -0.3658000     -0.5183000    
 O   -4.986700      -2.373300      0.1225000    
 O   -4.682000     -0.1206000      0.2642000    
 C  -0.7285000       1.921000      0.5266000    
 C    3.463300     -0.7879000      0.4279000    
 C  -3.5700001E-02  0.6335000      0.2246000    
 C    1.950100     -0.6669000      0.1709000    
 C   -1.482200       2.519900     -0.7232000    
 C    4.259100      0.3077000     -0.3468000    
 C    1.335300      0.5250000      0.4575000    
 C   0.1873000       3.059300       1.094100    
 C   -1.813100       1.698100       1.632000    
 C    4.048900      -2.175000      6.9200002E-02
 C    3.718600     -0.5861000       1.942700    
 C  -0.7445000     -0.4537000     -0.2867000    
 C    1.289000      -1.757800     -0.3323000    
 C  -8.2000002E-02  -1.649300     -0.5653000    
 C  -0.5920000       2.776200      -1.936000    
 C    4.070800      0.3009000      -1.861100    
 C   -2.843500      -1.566500     -0.3937000    
 C   -4.248000      -1.238700      3.1099999E-02
 H   -1.945300       3.474400     -0.4374000    
 H   -2.317300       1.886800      -1.037700    
 H    5.331000      0.1907000     -0.1369000    
 H    3.998700       1.307900      2.1299999E-02
 H    1.914500       1.346800      0.8557000    
 H  -0.3889000       3.975300       1.272500    
 H   0.9988000       3.320700      0.4068000    
 H   0.6324000       2.772500       2.054600    
 H   -2.628200       1.046000       1.318200    
 H   -2.272400       2.649200       1.927700    
 H   -1.365800       1.254400       2.529800    
 H    5.129400      -2.199200      0.2577000    
 H    3.908700      -2.432800     -0.9860000    
 H    3.608200      -2.973500      0.6785000    
 H    3.439300      0.4158000       2.286300    
 H    4.779900     -0.7199000       2.183800    
 H    3.149400      -1.308600       2.540100    
 H    1.752700      -2.706200     -0.5705000    
 H  -0.5889000      -2.510400     -0.9908000    
 H   0.2045000       3.490700      -1.711500    
 H   -1.190400       3.198600      -2.750100    
 H  -0.1372000       1.853300      -2.307100    
 H    4.402200     -0.6415000      -2.305500    
 H    4.667200       1.102200      -2.310400    
 H    3.027900      0.4710000      -2.143200    
 H   -2.880900      -2.068000      -1.366400    
 H   -2.434100      -2.224800      0.3827000    
 H   -5.909600      -2.187900      0.3983000    


%chk=000083411-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083411

0 1
O -2.188931 -0.403324 -0.036739
O -5.164122 -2.308618 -0.838828
O -4.920292 -0.057975 -0.284324
C -0.740407 1.997183 0.719255
C 3.594875 -0.762847 0.415487
C -0.048352 0.640027 0.430802
C 2.054992 -0.723356 0.275056
C -1.559342 2.490529 -0.527830
C 4.256564 0.317155 -0.511546
C 1.354354 0.490050 0.523702
C 0.284814 3.098315 1.106311
C -1.719599 1.840097 1.924769
C 4.179690 -2.158383 0.074945
C 3.979037 -0.434533 1.891156
C -0.780125 -0.534992 0.061619
C 1.284677 -1.848328 -0.085254
C -0.121676 -1.757886 -0.189555
C -0.750405 2.646620 -1.833937
C 3.964093 0.169489 -2.019890
C -2.946313 -1.572453 -0.427999
C -4.413914 -1.173334 -0.490558
H -2.007873 3.467850 -0.254557
H -2.397783 1.793182 -0.695091
H 5.352254 0.281161 -0.340327
H 3.927279 1.321896 -0.179133
H 1.939618 1.369797 0.802751
H -0.258707 4.044609 1.282974
H 1.032101 3.287228 0.314405
H 0.824223 2.846284 2.038642
H -2.523182 1.122450 1.696906
H -2.185177 2.817233 2.155339
H -1.179460 1.496004 2.826576
H 5.281905 -2.129200 0.159023
H 3.930290 -2.481419 -0.951690
H 3.811803 -2.930741 0.775795
H 3.618332 0.565613 2.192878
H 5.078803 -0.450313 2.014790
H 3.540924 -1.174919 2.585263
H 1.762744 -2.810450 -0.290419
H -0.684855 -2.653437 -0.469437
H 0.053773 3.399595 -1.739897
H -1.411709 2.970659 -2.659043
H -0.283590 1.689980 -2.133509
H 4.357323 -0.781136 -2.423675
H 4.435615 0.991519 -2.589534
H 2.877362 0.199695 -2.217905
H -2.641160 -1.951559 -1.425609
H -2.836443 -2.404263 0.298367
H -6.128128 -2.067251 -0.890126


