%chk=000101031.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101031

0 1
 O    2.206800       1.231300      0.4046000    
 O    1.046700      0.9016000     -0.4112000    
 O   -2.429100       1.092700      0.3576000    
 O  -5.1800001E-02   1.557500       1.514300    
 C    3.480800      -1.683200      0.1262000    
 C    3.320800     -0.5128000     -0.8938000    
 C    3.335100      0.9668000     -0.4312000    
 C    2.782700      -2.973800     -0.3238000    
 C    4.994600      -1.980600      0.2508000    
 C    2.983100      -1.292200       1.529700    
 C    4.584600       1.374600      0.3437000    
 C    3.199000       1.873700      -1.665200    
 C  -5.4299999E-02   1.144700      0.3626000    
 C   -1.290200      0.8194000     -0.4344000    
 C   -3.552700      0.3389000      0.1189000    
 C   -3.789200     -0.1517000      -1.158300    
 C   -4.435700      7.8900002E-02   1.158200    
 C   -4.930400     -0.9164000      -1.400700    
 C   -5.576900     -0.6859000      0.9157000    
 C   -5.824000      -1.183600     -0.3638000    
 H    2.379400     -0.6996000      -1.428600    
 H    4.089600     -0.6307000      -1.671600    
 H    2.963000      -3.796800      0.3768000    
 H    3.139600      -3.289100      -1.310500    
 H    1.699300      -2.826000     -0.3932000    
 H    5.562600      -1.123100      0.6196000    
 H    5.421400      -2.275000     -0.7150000    
 H    5.173300      -2.807300      0.9489000    
 H    3.066400      -2.152700       2.206700    
 H    1.921000      -1.027700       1.509800    
 H    3.536500     -0.4919000       2.013600    
 H    4.671600      0.9292000       1.332900    
 H    5.493800       1.146900     -0.2229000    
 H    4.575600       2.456600      0.5276000    
 H    2.359400       1.587600      -2.308400    
 H    4.104500       1.838500      -2.281200    
 H    3.025200       2.914900      -1.369000    
 H   -1.307800       1.451700      -1.328200    
 H   -1.217900     -0.2435000     -0.6967000    
 H   -3.132000      5.6800000E-02  -1.996700    
 H   -4.246100      0.4649000       2.155600    
 H   -5.126600      -1.298900      -2.398200    
 H   -6.273100     -0.8936000       1.723000    
 H   -6.713300      -1.777800     -0.5528000    


%chk=000101031-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101031

0 1
O 2.187062 0.474946 1.115346
O 0.845372 -0.066393 0.615882
O -2.462592 0.954492 0.081266
O -0.113418 1.981021 1.347416
C 4.184789 -1.742556 -0.319050
C 3.372061 -0.529619 -0.887827
C 3.088056 0.761548 -0.072342
C 3.971660 -2.908786 -1.329798
C 5.710868 -1.451934 -0.257013
C 3.677288 -2.204838 1.072592
C 4.279089 1.384910 0.689635
C 2.417274 1.817559 -0.977286
C -0.217797 0.826054 0.924554
C -1.501023 0.031235 0.668397
C -3.772906 0.469844 -0.117552
C -4.187511 -0.856450 0.155849
C -4.687526 1.421882 -0.629837
C -5.533447 -1.219512 -0.088934
C -6.022788 1.042660 -0.867996
C -6.454859 -0.280142 -0.598911
H 2.376102 -0.910850 -1.191191
H 3.869697 -0.204794 -1.825965
H 4.553657 -3.798948 -1.025707
H 4.297843 -2.621658 -2.348214
H 2.905711 -3.200476 -1.382537
H 5.965468 -0.689375 0.497244
H 6.089495 -1.105505 -1.238192
H 6.260699 -2.375042 0.007884
H 4.192851 -3.139102 1.367670
H 2.589394 -2.398371 1.054295
H 3.859293 -1.449156 1.855333
H 4.621303 0.738066 1.513172
H 5.120181 1.537233 -0.008820
H 3.986803 2.360319 1.113539
H 1.587452 1.377562 -1.557892
H 3.153842 2.226801 -1.692044
H 2.019343 2.643810 -0.364735
H -1.295832 -0.828551 0.002055
H -1.863850 -0.353965 1.644893
H -3.491394 -1.605039 0.546838
H -4.333531 2.438559 -0.825291
H -5.856097 -2.245303 0.121917
H -6.728786 1.781731 -1.262428
H -7.493997 -0.570567 -0.784816


