%chk=000161036.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161036

0 1
 O   0.2639000     -6.6100001E-02 -0.7885000    
 O    2.291800      0.8633000     -0.1045000    
 O  -0.6832000      0.6643000       1.243100    
 O    1.451600      -2.634200     -0.7458000    
 O    4.358500      -2.509400      -1.209100    
 O    5.585400     -0.5895000      0.5698000    
 O   -4.905500      -1.483500      0.3157000    
 O    3.384500       2.946300       1.317800    
 O   -3.895500      -1.729700       2.312500    
 C   -2.706700      1.6000000E-03 -0.7594000    
 C   -1.775200       1.225900     -0.9225000    
 C    1.499100     -0.3216000     -0.1207000    
 C    2.220000      -1.438300     -0.8756000    
 C  -0.4683000      0.9771000     -0.1415000    
 C    3.622800      -1.673100     -0.3148000    
 C    4.385400     -0.3569000     -0.1629000    
 C    3.535800      0.6811000      0.5740000    
 C   -4.125300      0.2182000      -1.272600    
 C   -2.742800     -0.4630000      0.6633000    
 C   -4.901600      -1.067000      -1.067000    
 C   -2.391300       2.533100     -0.5091000    
 C    4.229500       2.038300      0.6349000    
 C   -1.780300     -0.1068000       1.527100    
 C   -3.871700      -1.276100       1.172600    
 C   -2.580600       3.566300      -1.336800    
 H   -2.267100     -0.8206000      -1.344500    
 H   -1.521000       1.284800      -1.991100    
 H    1.292200     -0.6527000      0.9054000    
 H    2.274300      -1.207100      -1.946700    
 H   0.1310000       1.895800     -0.1747000    
 H    3.574200      -2.212500      0.6384000    
 H    4.673800      1.8200001E-02  -1.152400    
 H    3.326800      0.3607000       1.603900    
 H   -4.119400      0.4912000      -2.333500    
 H   -4.623200       1.023400     -0.7185000    
 H   -5.945400     -0.9241000      -1.364700    
 H   -4.495000      -1.889500      -1.665600    
 H   -2.702400       2.646200      0.5267000    
 H    4.411600       2.440800     -0.3671000    
 H    5.181000       1.983200       1.171200    
 H   -1.767800     -0.3693000       2.576800    
 H   0.5614000      -2.447200      -1.090100    
 H    4.402300      -2.064500      -2.072600    
 H    5.339900     -0.9105000       1.454300    
 H   -3.031800       4.483800     -0.9752000    
 H   -2.293100       3.518100      -2.381100    
 H    2.540900       2.983200      0.8353000    


%chk=000161036-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161036

0 1
O 0.212201 0.050697 -0.354743
O 2.352338 1.019200 -0.250532
O -1.059877 0.380700 1.650639
O 1.403949 -2.611831 0.090579
O 4.200076 -2.730922 -0.671515
O 5.750983 -0.462666 0.169428
O -4.977566 -1.660917 -0.515490
O 3.812994 3.375027 0.398294
O -4.424567 -2.162705 1.641319
C -2.607731 0.079960 -0.839649
C -1.801860 1.383260 -0.535241
C 1.543195 -0.128086 0.183887
C 2.099631 -1.428198 -0.420336
C -0.614788 1.003154 0.373267
C 3.565453 -1.594409 0.000583
C 4.396980 -0.357292 -0.371209
C 3.762589 0.910752 0.232497
C -3.900140 0.304102 -1.648645
C -2.936186 -0.645473 0.461529
C -4.606891 -1.043761 -1.822116
C -2.628562 2.477505 0.117057
C 4.447993 2.204807 -0.209000
C -2.170200 -0.457619 1.579032
C -4.119968 -1.538727 0.598363
C -2.778273 3.723471 -0.394420
H -1.937314 -0.566058 -1.446181
H -1.371266 1.767349 -1.478208
H 1.515196 -0.178466 1.295277
H 2.019874 -1.356383 -1.525143
H -0.019140 1.869075 0.704760
H 3.596513 -1.737917 1.103533
H 4.420408 -0.274069 -1.479932
H 3.766492 0.842997 1.341149
H -3.667483 0.726847 -2.644494
H -4.568493 1.016690 -1.132085
H -5.567331 -0.948801 -2.352977
H -3.965085 -1.765270 -2.365328
H -3.121605 2.218479 1.065196
H 4.433888 2.267614 -1.318128
H 5.491184 2.201701 0.140498
H -2.386369 -0.937631 2.536792
H 0.446148 -2.555291 -0.156503
H 3.667860 -3.542841 -0.471738
H 6.102186 -1.353779 -0.090993
H -3.380372 4.482764 0.116476
H -2.302883 4.024031 -1.337058
H 2.849322 3.340630 0.165710


