%chk=000177380.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177380

0 1
 O    2.447500     -0.6086000      0.5243000    
 O    4.947100      -1.093900      0.5030000    
 O   -5.360000      0.6572000      0.4759000    
 C   -1.116100      0.5771000     -0.4295000    
 C   0.3965000      0.6301000      2.3800001E-02
 C   -1.777700     -0.6329000      0.3345000    
 C    1.204700     -0.6719000     -0.2034000    
 C   -3.345500     -0.7252000      0.2459000    
 C   -1.029400      -1.953700      4.9800001E-02
 C   -1.825000       1.885100      2.2399999E-02
 C   0.4487000      -1.857500      0.4349000    
 C    1.173500       1.884200     -0.4196000    
 C   -3.944900      0.6506000      0.6627000    
 C    3.197600      0.6113000      0.5349000    
 C   -3.346900       1.837400     -8.7600000E-02
 C   -1.232900      0.4683000      -1.969600    
 C    2.685900       1.685100     -0.4396000    
 C    1.541300      -1.028400      -1.661500    
 C    4.626800      0.2508000      0.1774000    
 C   -3.870100      -1.174300      -1.133100    
 C   -3.866400      -1.778600       1.263100    
 C    3.169400       1.140500       1.978900    
 C    4.875800     -0.7529000     -0.8875000    
 H   0.3530000      0.7364000       1.120300    
 H   -1.587600     -0.4330000       1.403000    
 H   -1.122300      -2.250500     -0.9985000    
 H   -1.456600      -2.773500      0.6353000    
 H   -1.460800       2.739200     -0.5619000    
 H   -1.568200       2.096900       1.069100    
 H   0.5166000      -1.774700       1.529300    
 H   0.9531000      -2.803300      0.1970000    
 H   0.9370000       2.703500      0.2722000    
 H   0.8620000       2.238000      -1.406900    
 H   -3.764300      0.8157000       1.733700    
 H   -3.766100       2.765800      0.3220000    
 H   -3.672100       1.828600      -1.133500    
 H   -2.117300      0.9791000      -2.359200    
 H  -0.3887000      0.9307000      -2.487500    
 H   -1.303300     -0.5626000      -2.319800    
 H    2.987100       1.432500      -1.462700    
 H    3.183700       2.645000     -0.2470000    
 H   0.6596000      -1.290600      -2.245700    
 H    2.061400     -0.2382000      -2.201800    
 H    2.179300      -1.918400      -1.694600    
 H    5.359200       1.025700      0.3522000    
 H   -3.381200      -2.093500      -1.470700    
 H   -4.945700      -1.385800      -1.097500    
 H   -3.734500     -0.4156000      -1.904500    
 H   -4.960600      -1.801300       1.307000    
 H   -3.554300      -2.792900      0.9949000    
 H   -3.499600      -1.568900       2.274000    
 H    2.153600       1.380400       2.306700    
 H    3.548200      0.3828000       2.675300    
 H    3.788000       2.037600       2.090800    
 H    4.088500      -1.186400      -1.471900    
 H    5.814200     -0.6896000      -1.427200    
 H   -5.760100      0.1431000       1.196600    


%chk=000177380-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177380

0 1
O 2.467731 -0.657284 0.369769
O 5.385088 -0.605483 1.135314
O -5.362673 0.767460 0.732960
C -1.149440 0.582788 -0.492629
C 0.378638 0.604406 -0.084465
C -1.784724 -0.645775 0.275630
C 1.166444 -0.704940 -0.389514
C -3.361768 -0.734499 0.285667
C -1.066868 -1.963753 -0.112491
C -1.807132 1.889372 0.054970
C 0.435837 -1.908925 0.250983
C 1.156999 1.866864 -0.555193
C -3.892543 0.651982 0.797243
C 3.193482 0.638429 0.486076
C -3.348996 1.850740 0.013691
C -1.345072 0.537568 -2.038068
C 2.698215 1.664664 -0.564562
C 1.474045 -0.999826 -1.878910
C 4.682172 0.366033 0.222012
C -3.995233 -1.112326 -1.077972
C -3.794799 -1.812265 1.324807
C 3.048195 1.146576 1.939994
C 5.198698 -0.921864 -0.332735
H 0.367340 0.638725 1.026962
H -1.517345 -0.464869 1.345473
H -1.196853 -2.178759 -1.191049
H -1.517672 -2.817480 0.424979
H -1.446625 2.763093 -0.521074
H -1.479870 2.044065 1.105553
H 0.546291 -1.815734 1.348333
H 0.945368 -2.845521 -0.045716
H 0.898818 2.709297 0.112083
H 0.840672 2.173613 -1.570479
H -3.562953 0.747442 1.860462
H -3.765530 2.774874 0.455112
H -3.724871 1.805385 -1.025307
H -2.273308 1.051404 -2.339041
H -0.516058 1.048012 -2.558872
H -1.399092 -0.489242 -2.434098
H 3.034159 1.325919 -1.562117
H 3.202625 2.632496 -0.378996
H 0.597432 -1.429704 -2.392231
H 1.788177 -0.108489 -2.446148
H 2.289745 -1.743233 -1.922030
H 5.269492 1.281597 0.045969
H -3.595477 -2.076272 -1.442874
H -5.089374 -1.216730 -0.968233
H -3.820019 -0.354262 -1.856114
H -4.893938 -1.810115 1.468607
H -3.532584 -2.832051 0.993671
H -3.319261 -1.638433 2.309604
H 2.011071 1.447294 2.163855
H 3.340959 0.336533 2.627788
H 3.710543 2.013631 2.123702
H 4.474842 -1.720187 -0.524975
H 6.124360 -0.926146 -0.922711
H -5.766257 0.075903 1.315937


