%chk=000177106.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177106

0 1
 O   -2.298600      0.1743000      -1.504900    
 O   0.7707000      -1.562900      -1.161000    
 O    2.816100      0.9078000       2.466000    
 O   -1.192800      -1.986200     -4.6900000E-02
 O    4.603600      -1.351700      0.6002000    
 O    2.342600      -1.786400      0.4113000    
 O   -5.374800      -1.505300      0.9419000    
 C  -0.4840000       1.284700     -0.4551000    
 C   0.9442000       1.045000      0.1028000    
 C  -0.8953000      9.5700003E-02  -1.348800    
 C    1.893200      0.6094000      -1.060600    
 C    1.241500     -0.4729000      -1.970800    
 C  -5.6299999E-02  1.6700000E-02  -2.605200    
 C   -1.629500       1.222600      0.5526000    
 C    1.555900       2.226100      0.8711000    
 C    3.287700      0.2219000     -0.5303000    
 C   -2.839000      0.8685000     -0.3413000    
 C  -0.5750000       2.642400      -1.205300    
 C  -0.5113000      -1.265900     -0.7567000    
 C    2.940000       1.875300       1.426400    
 C    3.886500       1.336000      0.3468000    
 C    3.325200      -1.086200      0.2076000    
 C   -3.926200      0.1142000      0.3764000    
 C   -4.676900      0.5603000       1.488400    
 C   -4.386800      -1.146300      8.1000000E-02
 C   -5.545200     -0.4614000       1.795300    
 C    4.784400      -2.575900       1.319200    
 H   0.8733000      0.2227000      0.8265000    
 H    2.059800       1.485000      -1.704700    
 H    1.939700     -0.8470000      -2.725900    
 H   4.5600001E-02  0.9525000      -3.159200    
 H  -0.4709000     -0.7279000      -3.297100    
 H   -1.789000       2.155100       1.104700    
 H   -1.453300      0.4381000       1.299600    
 H    1.658100       3.098500      0.2158000    
 H   0.8866000       2.505100       1.693500    
 H    3.940900      8.2699999E-02  -1.403600    
 H   -3.288400       1.791200     -0.7303000    
 H   0.2708000       2.803500      -1.879900    
 H   -1.481000       2.722400      -1.815100    
 H  -0.5874000       3.479700     -0.4983000    
 H    3.387800       2.768700       1.876400    
 H    4.823900       1.016100      0.8161000    
 H    4.146100       2.172700     -0.3157000    
 H    2.229000       1.280400       3.145700    
 H   -4.598600       1.506400       2.004700    
 H   -4.134600      -1.882700     -0.6685000    
 H   -6.306300     -0.5943000       2.550200    
 H    4.203000      -2.559100       2.246000    
 H    5.844100      -2.668900       1.571100    
 H    4.495000      -3.427300      0.6960000    


%chk=000177106-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177106

0 1
O -2.168612 -0.022707 -1.374595
O 1.092282 -1.546288 -0.798880
O 2.861422 1.525839 2.792534
O -0.834925 -1.988579 0.415060
O 3.971631 -1.845876 -0.313014
O 3.218062 -0.957142 1.688019
O -5.053001 -1.590857 1.589468
C -0.414477 1.295401 -0.356687
C 1.026243 1.188742 0.232373
C -0.730304 -0.008320 -1.182792
C 2.032554 0.760234 -0.889723
C 1.495684 -0.424457 -1.738701
C 0.152834 -0.096349 -2.439955
C -1.593354 1.215971 0.654771
C 1.526126 2.477970 0.920787
C 3.467808 0.502303 -0.310729
C -2.796449 0.782074 -0.234766
C -0.591642 2.555316 -1.250678
C -0.238342 -1.273882 -0.402008
C 2.929884 2.297858 1.551762
C 3.946029 1.730643 0.521926
C 3.522091 -0.804550 0.474482
C -3.888991 0.009127 0.445153
C -5.274433 0.432987 0.564380
C -3.798167 -1.222006 1.079953
C -5.945887 -0.551629 1.263680
C 3.894663 -3.201149 0.296768
H 1.015574 0.392284 1.005839
H 2.153592 1.616882 -1.587549
H 2.269017 -0.854899 -2.392578
H 0.180844 0.832550 -3.027978
H -0.156716 -0.929336 -3.094594
H -1.798518 2.176732 1.155100
H -1.402735 0.454638 1.431608
H 1.564393 3.311761 0.190470
H 0.832311 2.773092 1.729173
H 4.152019 0.368772 -1.169521
H -3.243898 1.669500 -0.722217
H 0.289830 2.762363 -1.882873
H -1.463248 2.449805 -1.919313
H -0.752775 3.444894 -0.616669
H 3.297667 3.290730 1.872323
H 4.888702 1.493081 1.049000
H 4.175285 2.538052 -0.202261
H 2.912256 0.547301 2.576055
H -5.704392 1.354531 0.174015
H -2.986112 -1.930537 1.211233
H -6.969821 -0.688226 1.597763
H 4.428107 -3.215057 1.261065
H 4.369597 -3.865957 -0.437405
H 2.834393 -3.460229 0.448827


