%chk=000122486.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122486

0 1
 O   -2.065600       1.527000      0.2953000    
 O   -2.671900      0.6649000       2.334200    
 O   -1.397500       1.691300      -1.892600    
 C   -1.883200     -0.7858000      0.5500000    
 C   -2.047700     -0.4531000     -0.9228000    
 C  -0.4564000      -1.126900       1.004000    
 C   -1.211900      -1.287800      -1.884700    
 C   0.4361000      -1.727100     -4.5200001E-02
 C   8.3999999E-02  -1.792400      -1.337300    
 C   -2.287500      0.5148000       1.185500    
 C   -1.760300       1.023400     -0.9384000    
 C    1.760400      -2.244900      0.4370000    
 C    2.610200      -1.131400       1.040600    
 C    2.974400     -0.1113000     -1.8000000E-03
 C    2.739300       1.214200      2.5400000E-02
 C    3.131300       2.182800      -1.054200    
 C    2.046200       1.842300       1.204900    
 H   -2.587000      -1.576300      0.8327000    
 H   -3.105200     -0.5397000      -1.210400    
 H  -0.5352000      -1.826600       1.846800    
 H   2.3600001E-02 -0.2299000       1.409200    
 H   -1.008200     -0.7213000      -2.800900    
 H   -1.796700      -2.166000      -2.186900    
 H   0.7626000      -2.245000      -2.056300    
 H    1.586800      -3.019200       1.194900    
 H    2.312700      -2.737100     -0.3744000    
 H    2.127400     -0.7220000       1.928700    
 H    3.546900      -1.575700       1.401300    
 H    3.497600     -0.5090000     -0.8708000    
 H    2.246900       2.700500      -1.439500    
 H    3.613900       1.674500      -1.895400    
 H    3.833300       2.927400     -0.6656000    
 H    2.521700       2.800400       1.446100    
 H   0.9987000       2.044700      0.9592000    
 H    2.084300       1.260200       2.126100    


%chk=000122486-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122486

0 1
O -2.762373 1.327093 0.323566
O -3.104973 0.312208 2.407412
O -2.161703 1.673932 -1.912600
C -1.984676 -0.945714 0.543953
C -2.245187 -0.652401 -0.957898
C -0.469743 -0.895467 0.910814
C -1.259714 -1.268420 -1.980170
C 0.391655 -1.674089 -0.072131
C 0.014845 -1.816164 -1.369890
C -2.690988 0.207792 1.252010
C -2.343159 0.877950 -0.990095
C 1.703856 -2.222213 0.462081
C 2.647827 -1.128493 1.059951
C 3.071449 -0.095443 0.035444
C 2.994150 1.264502 0.120997
C 3.466078 2.143490 -1.027112
C 2.455209 2.031262 1.317160
H -2.403448 -1.913024 0.863161
H -3.272294 -0.999813 -1.196515
H -0.343277 -1.287199 1.937588
H -0.122468 0.158742 0.938178
H -1.012979 -0.495821 -2.737135
H -1.766249 -2.077811 -2.540685
H 0.673455 -2.360121 -2.060795
H 1.499883 -2.967463 1.260319
H 2.238514 -2.755936 -0.347369
H 2.162344 -0.652262 1.931552
H 3.544309 -1.649826 1.456689
H 3.486365 -0.520531 -0.893050
H 2.637363 2.771306 -1.410825
H 3.860204 1.545840 -1.867315
H 4.262727 2.839295 -0.695924
H 3.244013 2.678861 1.749268
H 1.631472 2.705751 1.009548
H 2.081510 1.380090 2.124518


