%chk=000170295.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170295

0 1
 O  -3.1099999E-02   1.272200     -5.0700001E-02
 O    3.994500      -2.165800       1.430700    
 O   -1.247700       1.662100      -1.965700    
 O   -1.744300      -2.815900     -0.3031000    
 O   -1.165300      -1.304700      -1.899100    
 C    2.322800       1.721900      0.3078000    
 C    2.484400      0.2943000      0.8727000    
 C    2.833400     -0.7814000     -0.1658000    
 C    3.598700       2.298400     -0.3436000    
 C    1.141200       1.784400     -0.6732000    
 C    2.943800      -2.173100      0.4680000    
 C    4.794200       2.359000      0.5970000    
 C    3.246900      -3.234400     -0.5812000    
 C   -1.159100       1.269200     -0.8129000    
 C   -2.306400      0.7145000     -5.0900001E-02
 C   -2.578100     -0.6388000     -8.6900003E-02
 C   -3.077100       1.596700      0.6822000    
 C   -3.663100      -1.130500      0.6389000    
 C   -4.162000       1.104800       1.408000    
 C   -4.455000     -0.2586000       1.386300    
 C   -1.770400      -1.574400     -0.8584000    
 H    2.065400       2.359300       1.165600    
 H    3.253700      0.3098000       1.653800    
 H    1.561000      1.1000000E-03   1.388600    
 H    3.789500     -0.5261000     -0.6370000    
 H    2.070500     -0.8116000     -0.9508000    
 H    3.868400       1.722300      -1.236100    
 H    3.385400       3.318100     -0.6887000    
 H   0.9631000       2.829200     -0.9568000    
 H    1.356400       1.216900      -1.585900    
 H    2.010600      -2.422300      0.9858000    
 H    4.543800       2.895700       1.517300    
 H    5.624500       2.884100      0.1139000    
 H    5.147700       1.358300      0.8619000    
 H    3.332000      -4.221500     -0.1141000    
 H    2.461500      -3.277100      -1.341900    
 H    4.205000      -3.036400      -1.074200    
 H    4.031900      -3.051300       1.830900    
 H   -2.854800       2.659600      0.7034000    
 H   -3.926500      -2.184900      0.6323000    
 H   -4.779100       1.783600       1.989300    
 H   -5.301700     -0.6407000       1.949000    
 H   -1.196600      -3.438700     -0.8271000    


%chk=000170295-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170295

0 1
O -0.099082 1.311890 0.018917
O 4.293346 -2.239905 0.873626
O -1.279415 2.159431 -1.806307
O -1.236314 -2.434082 1.150231
O -0.519569 -1.409393 -0.802583
C 2.305033 1.592474 0.439525
C 2.465452 0.086830 0.783844
C 2.814056 -0.833439 -0.407455
C 3.601950 2.252897 -0.114284
C 1.169185 1.853294 -0.560793
C 3.067634 -2.281349 0.038559
C 4.812783 2.141977 0.837429
C 3.235147 -3.253817 -1.141441
C -1.238036 1.476399 -0.754671
C -2.437693 0.830486 -0.118649
C -2.443287 -0.491289 0.415703
C -3.607925 1.620483 -0.026583
C -3.599630 -0.970757 1.082781
C -4.760095 1.129906 0.624835
C -4.750464 -0.163439 1.194905
C -1.309762 -1.429798 0.169791
H 2.041433 2.116486 1.382813
H 3.247160 -0.026757 1.556287
H 1.518095 -0.264823 1.237226
H 3.726940 -0.481556 -0.926561
H 1.984071 -0.843968 -1.137339
H 3.862489 1.802415 -1.093258
H 3.395441 3.324772 -0.313548
H 1.027643 2.933496 -0.749999
H 1.334777 1.351283 -1.531622
H 2.210729 -2.615660 0.671665
H 4.573246 2.560420 1.833480
H 5.678884 2.699704 0.436266
H 5.125133 1.092068 0.978369
H 3.426272 -4.288261 -0.793586
H 2.320707 -3.269948 -1.762515
H 4.084036 -2.943383 -1.777364
H 4.541817 -3.165092 1.126282
H -3.598029 2.623632 -0.464159
H -3.587362 -1.984477 1.492013
H -5.656105 1.755868 0.691772
H -5.637682 -0.546743 1.709427
H -0.491007 -3.050975 0.916271


