%chk=000158845.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158845

0 1
 O   -1.408800     -0.7702000      0.6453000    
 O   -2.400000      0.3792000      -1.126800    
 O   -2.439200      -4.404700     -0.9656000    
 O   -1.672600      -4.230400       1.816000    
 O   -3.848100      -1.956300      -1.802800    
 O  -0.3611000     -0.4401000       3.165100    
 O   0.8907000       1.236200     -0.8192000    
 O   -2.050000       5.391600       1.155000    
 O    2.211900      0.8130000      -2.656300    
 O    2.623800      -2.028200      -1.701900    
 O    3.174100       2.064800      0.7429000    
 C   -2.632300      -3.240400     -0.1609000    
 C   -1.500900      -3.182300      0.8656000    
 C   -2.633900      -1.999300      -1.053500    
 C   -1.496200      -1.835600       1.593000    
 C   -2.537000     -0.7184000     -0.2248000    
 C  -0.3060000      -1.708700       2.538700    
 C   -2.301100       1.623300     -0.5668000    
 C   -1.174100       2.415900     -0.7846000    
 C   -3.343500       2.097200      0.2296000    
 C  -4.8900001E-02   1.924900      -1.634300    
 C   -1.089600       3.682200     -0.2061000    
 C   -3.259100       3.363500      0.8083000    
 C   -2.132200       4.156000      0.5903000    
 C    1.979300      0.7282000      -1.460400    
 C    2.878000      3.5399999E-02 -0.5030000    
 C    3.162100      -1.320100     -0.6688000    
 C    3.438800      0.7402000      0.5621000    
 C    4.007100      -1.970700      0.2302000    
 C    4.283700      8.9599997E-02   1.461200    
 C    4.568000      -1.266000       1.295300    
 C    1.368700      -2.662700      -1.467000    
 C    4.048300       2.992900      0.1045000    
 H   -3.602300      -3.368800      0.3336000    
 H  -0.5427000      -3.359100      0.3730000    
 H   -1.817000      -2.048000      -1.782600    
 H   -2.413200      -1.702600       2.183100    
 H   -3.455400     -0.5935000      0.3636000    
 H   0.6380000      -1.766300       1.986100    
 H  -0.3213000      -2.483400       3.311100    
 H   -1.590400      -4.312800      -1.431300    
 H   -2.516500      -4.083400       2.276200    
 H   -4.589000      -1.912400      -1.174600    
 H   0.4114000     -0.3760000       3.752100    
 H   -4.238700       1.504900      0.3961000    
 H   0.4452000       2.771400      -2.128500    
 H  -0.4175000       1.260400      -2.425600    
 H  -0.2099000       4.299500     -0.3730000    
 H   -4.076200       3.729000       1.424300    
 H   -1.204800       5.799600      0.8998000    
 H    4.233100      -3.026500      0.1074000    
 H    4.723400      0.6318000       2.294000    
 H    5.225600      -1.772600       1.995500    
 H    1.485800      -3.458200     -0.7254000    
 H   0.6257000      -1.932500      -1.135300    
 H    1.026700      -3.107000      -2.405600    
 H    3.689900       4.003400      0.3192000    
 H    4.047900       2.845600     -0.9800000    
 H    5.065400       2.891700      0.4965000    


%chk=000158845-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158845

0 1
O -2.017671 -1.422965 1.378197
O -1.124745 0.323576 0.048507
O -1.583591 -4.177957 -1.739143
O -3.273596 -4.824398 0.498246
O -1.294479 -1.397110 -2.321146
O -3.947387 -2.028650 3.516027
O 1.171723 2.046435 -0.819905
O -2.795029 5.274926 2.136378
O 0.913746 0.222463 -2.253819
O 1.754854 -0.994805 0.623683
O 3.930835 1.897342 -2.434832
C -2.190517 -3.122082 -0.925597
C -2.352822 -3.685093 0.492981
C -1.333521 -1.848190 -0.938311
C -2.938430 -2.587742 1.408844
C -1.975172 -0.827615 0.022446
C -3.086714 -3.023881 2.856840
C -1.611974 1.537991 0.583236
C -1.078728 2.709927 -0.014157
C -2.513776 1.611167 1.668721
C -0.173653 2.604657 -1.215948
C -1.460653 3.968411 0.505106
C -2.902300 2.873664 2.160400
C -2.372563 4.049582 1.583536
C 1.576490 0.858638 -1.398372
C 2.916967 0.432618 -0.866113
C 2.991260 -0.525913 0.175922
C 4.113191 0.965784 -1.404500
C 4.245359 -0.941006 0.689606
C 5.375860 0.554414 -0.907818
C 5.421244 -0.392389 0.137368
C 1.704128 -1.791403 1.854643
C 5.126796 2.491375 -3.037268
H -3.195988 -2.869661 -1.332289
H -1.351182 -3.994553 0.864192
H -0.312623 -2.057038 -0.558891
H -3.938545 -2.288887 1.026614
H -3.010074 -0.547171 -0.282752
H -2.084347 -3.067923 3.333359
H -3.548701 -4.031066 2.867272
H -1.328483 -3.754913 -2.601219
H -3.011167 -5.408484 -0.260633
H -0.512797 -0.775941 -2.427350
H -4.090538 -2.293009 4.458692
H -2.880295 0.692207 2.136572
H 0.050547 3.597015 -1.639598
H -0.594159 1.940206 -1.990520
H -1.048029 4.882303 0.056405
H -3.599826 2.961324 2.998217
H -2.365865 6.036770 1.674288
H 4.305850 -1.675430 1.496723
H 6.303934 0.959345 -1.318500
H 6.394245 -0.711329 0.526913
H 2.167899 -2.786174 1.707264
H 2.203363 -1.262560 2.688529
H 0.629370 -1.896255 2.067009
H 4.746501 3.181767 -3.804014
H 5.761861 1.719178 -3.512433
H 5.717014 3.052710 -2.287606


