%chk=000163410.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163410

0 1
 O  -0.6904000      -2.226700      -1.238100    
 O    2.209200      0.8950000      -1.786200    
 O   0.3560000       2.718900      0.1420000    
 O    3.253800       2.057600     -1.7400000E-02
 O   -2.636000      -1.816300      -2.307100    
 O   -2.450800      -1.506500       1.432700    
 C   0.6979000     -0.3530000     -0.4926000    
 C  -0.5907000      0.5872000     -0.5798000    
 C    1.851600      0.1184000      0.4507000    
 C   -1.927900     -0.2303000     -0.6175000    
 C   0.2431000      -1.792600     -0.2267000    
 C    2.494700     -0.9998000       1.350000    
 C  -0.7022000       1.794900      0.3890000    
 C    1.391800     -0.2709000      -1.875200    
 C   -3.028900      0.7279000      -1.144500    
 C    2.860400      0.7889000     -0.5175000    
 C    1.372500      -2.817900     -0.1331000    
 C   -3.255700       1.675100      4.0300000E-02
 C    2.642800      -2.312900      0.5524000    
 C   -2.026400       2.573300      0.2148000    
 C   -1.800000      -1.475100      -1.476900    
 C   -2.548800     -0.4923000      0.7618000    
 C   -3.362500      0.6926000       1.167200    
 C    3.892700     -0.5853000       1.876500    
 C    1.643800      -1.220000       2.626500    
 C   -4.070400      0.7715000       2.293800    
 C    4.180400       2.698300     -0.8851000    
 H  -0.5247000       1.065500      -1.569500    
 H    1.502100      0.8730000       1.158800    
 H  -0.2835000      -1.851600      0.7218000    
 H  -0.6157000       1.456900       1.427600    
 H    2.046100      -1.123700      -2.086200    
 H   0.7063000     -0.1765000      -2.723400    
 H   -3.956000      0.1870000      -1.382700    
 H   -2.728200       1.260100      -2.054700    
 H    3.748800      0.1689000     -0.6762000    
 H    1.624100      -3.210100      -1.127000    
 H   0.9935000      -3.693500      0.4113000    
 H   -4.165800       2.268300     -9.2299998E-02
 H    3.038400      -3.108100       1.197900    
 H    3.405100      -2.171700     -0.2255000    
 H   -1.948600       3.238200     -0.6562000    
 H   -2.159400       3.240500       1.076500    
 H    4.258800      -1.302100       2.621600    
 H    4.649100     -0.5511000       1.087100    
 H    3.857000      0.3996000       2.355300    
 H    1.661300     -0.3255000       3.260900    
 H   0.5951000      -1.437800       2.432800    
 H    2.040600      -2.050100       3.222600    
 H   0.3162000       2.983800     -0.7926000    
 H   -4.662000       1.653800       2.513700    
 H   -4.077000     -3.3300001E-02   3.020600    
 H    3.715000       2.936700      -1.846000    
 H    5.066400       2.073800      -1.036100    
 H    4.493900       3.634900     -0.4157000    


%chk=000163410-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163410

0 1
O -0.667657 -2.187573 -1.171998
O 2.883688 -0.000309 -1.635306
O 0.464507 2.572333 1.047814
O 2.434651 2.132173 -0.624288
O -2.368519 -1.563689 -2.565879
O -2.529818 -1.467584 1.283498
C 0.788991 -0.367572 -0.364931
C -0.415982 0.671496 -0.426762
C 1.988191 0.059028 0.589509
C -1.819766 -0.046125 -0.706901
C 0.216323 -1.767985 -0.018827
C 2.654757 -1.131819 1.384598
C -0.657798 1.688543 0.742717
C 1.479959 -0.464065 -1.783689
C -2.782326 1.009029 -1.318022
C 2.939775 0.755638 -0.405613
C 1.239677 -2.909407 0.140260
C -3.142827 1.856887 -0.065196
C 2.661525 -2.417276 0.514289
C -1.869212 2.614335 0.412192
C -1.665645 -1.301167 -1.568591
C -2.603363 -0.398645 0.625247
C -3.491357 0.769738 0.935625
C 4.115512 -0.795432 1.793817
C 1.857649 -1.351828 2.703810
C -4.400134 0.761861 1.943493
C 3.252487 2.925667 -1.553812
H -0.232992 1.299902 -1.322517
H 1.651653 0.798011 1.335426
H -0.437431 -1.713898 0.863849
H -0.862585 1.128450 1.679056
H 1.531302 -1.492436 -2.172391
H 0.973207 0.171154 -2.532654
H -3.668590 0.514265 -1.751404
H -2.294850 1.600668 -2.111378
H 4.000794 0.819831 -0.116596
H 1.273307 -3.479919 -0.805078
H 0.858917 -3.606098 0.907796
H -3.970552 2.564310 -0.241591
H 3.193949 -3.222053 1.056802
H 3.246792 -2.211289 -0.401678
H -1.544276 3.317782 -0.379200
H -2.084700 3.214406 1.314465
H 4.473501 -1.538590 2.530200
H 4.810515 -0.828806 0.934866
H 4.187475 0.202776 2.266379
H 1.963732 -0.473576 3.367925
H 0.778228 -1.509960 2.539145
H 2.246400 -2.235454 3.243860
H 1.166186 2.553522 0.318795
H -5.040209 1.625075 2.156862
H -4.519344 -0.131468 2.568349
H 3.335108 2.410152 -2.526759
H 4.262798 3.092989 -1.131999
H 2.735278 3.889903 -1.673183


