%chk=000114716.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114716

0 1
 O    5.457500       1.182800     -0.2718000    
 O   -5.936300      0.2616000      8.8200003E-02
 C   0.4229000      -1.113900      0.6939000    
 C  -0.3342000      8.4600002E-02  0.1261000    
 C    1.845900     -0.6613000      0.5076000    
 C   0.4919000       1.067100     -0.2956000    
 C    1.867400      0.6138000     -7.2999999E-02
 C   0.1277000      -2.414900     -4.6599999E-02
 C   -1.781200      0.1296000      0.1164000    
 C    3.018600      -1.322200      0.8391000    
 C    3.072600       1.246200     -0.3419000    
 C   0.1733000       2.393300     -0.8856000    
 C   0.3849000      -2.276100      -1.535100    
 C    4.233100     -0.6895000      0.5698000    
 C    4.260000      0.5844000     -1.7400000E-02
 C   -2.492400     -0.3196000      -1.000400    
 C   -2.477400      0.6236000       1.223800    
 C   -3.886600     -0.2754000      -1.009700    
 C   -3.871600      0.6676000       1.214500    
 C   -4.576100      0.2182000      9.7700000E-02
 H   0.2089000      -1.218900       1.764600    
 H  -0.9184000      -2.702600      0.1132000    
 H   0.7390000      -3.233600      0.3515000    
 H    3.000100      -2.305700       1.296000    
 H    3.100900       2.233400     -0.7925000    
 H   0.5788000       3.198500     -0.2642000    
 H  -0.9048000       2.558400     -0.9743000    
 H   0.6022000       2.480700      -1.889300    
 H  -4.6300001E-02  -1.396900      -2.009600    
 H    1.460200      -2.260800      -1.745000    
 H  -1.7200001E-02  -3.153500      -2.054100    
 H    5.160300      -1.198000      0.8226000    
 H   -1.993200     -0.6862000      -1.889900    
 H   -1.943500      0.9777000       2.102600    
 H   -4.423900     -0.6232000      -1.888000    
 H   -4.403200       1.053300       2.080100    
 H    6.173400      0.5894000      1.3500000E-02
 H   -6.256800     -8.7899998E-02 -0.7610000    


%chk=000114716-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114716

0 1
O 5.560518 1.254271 -0.504114
O -6.065675 0.117504 0.036016
C 0.452177 -0.956985 0.804799
C -0.327817 0.155160 0.076840
C 1.900533 -0.559628 0.564165
C 0.550289 1.075910 -0.478544
C 1.934376 0.648022 -0.196201
C 0.096187 -2.404883 0.345016
C -1.801465 0.166174 0.038542
C 3.093511 -1.173302 0.969860
C 3.159552 1.252370 -0.547812
C 0.239844 2.363753 -1.201244
C 0.306298 -2.660163 -1.162225
C 4.334916 -0.581071 0.619428
C 4.355357 0.622340 -0.131209
C -2.526491 0.644340 -1.091776
C -2.565525 -0.338714 1.134817
C -3.935509 0.641853 -1.122171
C -3.971102 -0.344275 1.121221
C -4.660545 0.151234 -0.009701
H 0.236313 -0.898548 1.895153
H -0.960495 -2.606905 0.607683
H 0.710199 -3.115463 0.934013
H 3.083556 -2.100323 1.554634
H 3.218694 2.177915 -1.128090
H 0.950397 3.155368 -0.898622
H -0.780665 2.720959 -0.984523
H 0.335145 2.252990 -2.300078
H -0.335108 -1.995322 -1.768434
H 1.355789 -2.481700 -1.457596
H 0.051430 -3.704704 -1.419336
H 5.277131 -1.051419 0.930337
H -1.979640 0.986883 -1.975409
H -2.047004 -0.710073 2.025622
H -4.464120 1.007528 -2.012518
H -4.548788 -0.721236 1.970287
H 6.338708 0.744126 -0.168614
H -6.454474 0.490014 -0.794018


