%chk=000077871.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077871

0 1
 O    2.490000     -0.8888000     -0.6631000    
 O  -0.6852000      -1.329400      0.3440000    
 O    2.057900      -1.058800      0.7206000    
 O   0.2148000      -2.406400     -5.6400001E-02
 C    3.162200      0.3612000     -0.6928000    
 C   -1.812300      -1.448200     -0.5109000    
 C    1.371200      -2.317800      0.7899000    
 C    2.194200       1.461100     -0.2652000    
 C   -2.819900     -0.3548000     -0.1664000    
 C    4.377400      0.2131000      0.2346000    
 C    3.623900      0.6151000      -2.132800    
 C   -1.269900      -1.358900      -1.944900    
 C   -2.445200      -2.823800     -0.2696000    
 C    2.321900      -3.444400      0.3772000    
 C   0.9569000      -2.527800       2.248700    
 C    2.481100       2.193700      0.8659000    
 C   -3.979000     -0.2648000     -0.9059000    
 C    1.066300       1.683200      -1.024700    
 C   -2.535700      0.5052000      0.8719000    
 C    1.596200       3.198600       1.256900    
 C   -4.899800      0.7348000     -0.5915000    
 C   0.1813000       2.688100     -0.6338000    
 C   -3.456400       1.504700       1.186500    
 C   0.4464000       3.445700      0.5071000    
 C   -4.638400       1.619500      0.4546000    
 H    4.991900     -0.6376000     -8.7700002E-02
 H    5.018900       1.101800      0.2088000    
 H    4.120900      2.7999999E-03   1.279100    
 H    4.356600     -0.1421000      -2.437600    
 H    4.089200       1.601000      -2.242500    
 H    2.805500      0.5338000      -2.856400    
 H  -0.5698000      -2.161000      -2.201400    
 H   -2.078100      -1.407600      -2.683300    
 H  -0.7452000     -0.4138000      -2.104000    
 H   -1.762000      -3.648300     -0.5027000    
 H   -3.344800      -2.981600     -0.8741000    
 H   -2.723000      -2.943500      0.7850000    
 H    1.860900      -4.426200      0.5322000    
 H    3.263200      -3.397300      0.9349000    
 H    2.568700      -3.384900     -0.6889000    
 H    1.832600      -2.573500       2.905400    
 H   0.3685000      -3.443600       2.369000    
 H   0.3428000      -1.694600       2.609100    
 H    3.359100       2.049800       1.483000    
 H   -4.199500     -0.9423000      -1.724400    
 H   0.8474000       1.107900      -1.916200    
 H   -1.629800      0.4496000       1.466000    
 H    1.802000       3.789400       2.144800    
 H   -5.819900      0.8247000      -1.161500    
 H  -0.7144000       2.880000      -1.217300    
 H   -3.253000       2.194400       2.000600    
 H  -0.2434000       4.227200      0.8119000    
 H   -5.355100       2.398100      0.6993000    


%chk=000077871-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077871

0 1
O 2.754173 -0.767753 -0.550809
O -0.812286 -1.279327 -0.001144
O 1.987591 -1.128843 0.755921
O 0.254430 -2.270506 -0.517755
C 3.516215 0.480808 -0.277365
C -2.089655 -1.624114 -0.706114
C 1.293675 -2.394102 0.518993
C 2.580018 1.690937 -0.096284
C -3.075882 -0.563208 -0.176501
C 4.471396 0.262162 0.916083
C 4.297185 0.610885 -1.613492
C -1.885817 -1.476696 -2.232691
C -2.529919 -3.052377 -0.310924
C 2.203381 -3.486176 -0.072931
C 0.725042 -2.725372 1.909734
C 3.108928 2.945041 0.306008
C -4.435213 -0.620247 -0.580037
C 1.197099 1.596654 -0.389991
C -2.665680 0.480642 0.691303
C 2.275952 4.081253 0.412854
C -5.364635 0.340328 -0.125192
C 0.363398 2.732951 -0.280102
C -3.598052 1.441046 1.147596
C 0.896810 3.979668 0.118840
C -4.949979 1.377023 0.743094
H 5.078548 -0.643114 0.740279
H 5.154687 1.120557 1.036724
H 3.901449 0.132742 1.849641
H 4.966544 -0.254904 -1.758383
H 4.902171 1.533774 -1.592071
H 3.597808 0.674638 -2.464054
H -1.138351 -2.203873 -2.590443
H -2.836500 -1.649496 -2.767188
H -1.531588 -0.459323 -2.470760
H -1.766034 -3.781460 -0.628983
H -3.486260 -3.314209 -0.796506
H -2.665781 -3.122650 0.782036
H 1.677963 -4.455334 -0.078310
H 3.109977 -3.566490 0.549542
H 2.502912 -3.224518 -1.098845
H 1.546185 -2.954827 2.608424
H 0.063890 -3.604033 1.823952
H 0.139229 -1.878899 2.298249
H 4.176085 3.045779 0.538025
H -4.776516 -1.415569 -1.253313
H 0.775377 0.631275 -0.682399
H -1.621444 0.539597 1.009410
H 2.703184 5.041876 0.723204
H -6.410040 0.279233 -0.448505
H -0.705573 2.640398 -0.505343
H -3.263097 2.239102 1.820129
H 0.247992 4.859291 0.200247
H -5.670891 2.122460 1.097147


