%chk=000168931.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168931

0 1
 O    3.368300     -0.1844000       1.604600    
 O   -8.710000      0.9748000       1.222800    
 C    3.212900      9.3000000E-03  0.1956000    
 C    4.117400      -1.065000      0.7462000    
 C    3.785800       1.294600     -0.3597000    
 C    5.595400     -0.8729000      0.8570000    
 C    5.244900       1.516500      0.1138000    
 C    6.108200      0.2613000     -2.6000001E-02
 C    3.644100      -2.476400      0.8625000    
 C    1.956500     -0.4510000     -0.4263000    
 C    3.734500       1.230500      -1.899700    
 C    2.923300       2.482800      0.1016000    
 C   0.7214000     -0.1168000     -1.4600000E-02
 C  -0.5529000     -0.5466000     -0.5979000    
 C  -0.4889000      -1.464900      -1.792700    
 C   -1.695700     -9.7700000E-02 -3.5200000E-02
 C   -3.058900     -0.3874000     -0.4399000    
 C   -4.126800      0.1200000      0.2005000    
 C   -5.539300     -0.1079000     -0.1265000    
 C   -5.838100      -1.002500      -1.302300    
 C   -6.467800      0.4950000      0.6417000    
 C   -7.934700      0.3889000      0.4745000    
 H    6.126000      -1.791400      0.5783000    
 H    5.857900     -0.6703000       1.903100    
 H    5.252900       1.825400       1.167900    
 H    5.704300       2.338000     -0.4500000    
 H    6.129600     -6.4700000E-02  -1.072000    
 H    7.143300      0.4930000      0.2503000    
 H    4.191000      -3.001000       1.654000    
 H    2.580300      -2.557600       1.109600    
 H    3.818000      -3.011200     -7.7000000E-02
 H    2.079100      -1.107600      -1.283900    
 H    2.709700       1.260900      -2.287400    
 H    4.259000       2.086000      -2.341500    
 H    4.203600      0.3191000      -2.286900    
 H    3.362300       3.432000     -0.2271000    
 H    1.906800       2.444100     -0.3030000    
 H    2.841900       2.515800       1.194100    
 H   0.6475000      0.5404000      0.8515000    
 H   4.6999998E-02 -0.9828000      -2.618100    
 H   2.8600000E-02  -2.395400      -1.533400    
 H   -1.467400      -1.751900      -2.182700    
 H   -1.619900      0.5644000      0.8284000    
 H   -3.201900      -1.038700      -1.293200    
 H   -3.946300      0.7722000       1.055500    
 H   -6.902600      -1.135500      -1.500600    
 H   -5.425400      -2.004000      -1.136400    
 H   -5.400800     -0.5899000      -2.218500    
 H   -6.167800       1.128000       1.474700    
 H   -8.306200     -0.2367000     -0.3475000    


%chk=000168931-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168931

0 1
O 3.068498 0.391408 1.490518
O -8.826637 -0.263219 1.907298
C 3.199323 0.194048 -0.005455
C 3.780059 -0.850862 0.956093
C 4.143023 1.221479 -0.697128
C 5.279129 -0.885325 1.278619
C 5.463327 1.369883 0.115992
C 6.158001 0.022361 0.388258
C 3.048381 -2.151251 1.245156
C 1.906674 -0.070168 -0.708346
C 4.457373 0.758763 -2.149459
C 3.431700 2.600116 -0.732502
C 0.678705 -0.008580 -0.102673
C -0.609255 -0.249913 -0.751233
C -0.625982 -0.594410 -2.229038
C -1.759961 -0.150586 0.025541
C -3.123266 -0.349030 -0.397787
C -4.206126 -0.233421 0.459349
C -5.602881 -0.424793 0.097387
C -5.937413 -0.781396 -1.342814
C -6.564893 -0.271440 1.091426
C -8.009641 -0.419934 0.945741
H 5.631318 -1.932592 1.217059
H 5.378366 -0.579462 2.339109
H 5.231622 1.860252 1.080910
H 6.139086 2.045068 -0.444631
H 6.378889 -0.487047 -0.569574
H 7.132331 0.189469 0.885307
H 3.243004 -2.464476 2.287818
H 1.961086 -2.050299 1.108908
H 3.412160 -2.955644 0.578161
H 1.984013 -0.307601 -1.776974
H 3.570193 0.838505 -2.802829
H 5.242953 1.403976 -2.584161
H 4.816817 -0.285649 -2.189551
H 4.095100 3.361515 -1.184244
H 2.498628 2.563316 -1.323641
H 3.174794 2.926633 0.291119
H 0.663111 0.246709 0.966551
H -0.170582 0.219967 -2.824371
H -0.033324 -1.508067 -2.425788
H -1.641530 -0.764543 -2.617423
H -1.621514 0.108350 1.086633
H -3.309605 -0.605142 -1.448325
H -4.007905 0.024084 1.510538
H -7.016646 -0.911023 -1.509826
H -5.435051 -1.721864 -1.636788
H -5.582348 0.008879 -2.030374
H -6.236849 -0.011421 2.107881
H -8.396152 -0.684820 -0.068237


