%chk=000159578.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159578

0 1
 O   0.4965000      -1.835300      -1.617700    
 O   -1.243600       2.130400     -0.5021000    
 O   -2.453000      -2.025000       1.169300    
 O    1.673200       2.367300      0.6917000    
 O    3.492500      -1.740100      0.9771000    
 O   -1.798700     -3.8400002E-02   2.122200    
 O  -0.8800000       2.777300       1.615000    
 C    1.017700      0.3156000     -0.5148000    
 C   0.3071000      -1.082400     -0.3939000    
 C   -1.215500     -0.9838000     -0.2414000    
 C   -1.818000     -8.6099997E-02  -1.364600    
 C   0.5049000      0.9944000      -1.782500    
 C    2.504300     -0.1629000     -0.6032000    
 C  -0.9960000       1.211800      -1.584500    
 C    1.089400      -1.799900      0.7074000    
 C   0.7366000       1.283100      0.6727000    
 C   -1.912500      -2.372200     -0.1275000    
 C    2.493000      -1.286100      0.4339000    
 C   -1.803400     -0.8298000       1.208000    
 C   -3.298000      0.2439000      -1.132000    
 C  -0.5367000       2.100400      0.6465000    
 C    3.640200      0.8176000     -0.3795000    
 H   -1.760300     -0.6531000      -2.304700    
 H   0.6908000      0.3966000      -2.681500    
 H    1.011500       1.956500      -1.927300    
 H    2.673700     -0.6380000      -1.579100    
 H   -1.379300       1.710800      -2.483100    
 H    1.076900      -2.888200      0.6046000    
 H   0.7951000      -1.506500       1.717500    
 H   0.8047000      0.7621000       1.631800    
 H   -2.704500      -2.591000     -0.8499000    
 H   -1.269400      -3.253700     -4.5800000E-02
 H   -3.458000      0.7956000     -0.2002000    
 H   -3.685900      0.8574000      -1.952500    
 H   -3.910100     -0.6618000      -1.087300    
 H   0.2978000      -2.770100      -1.444300    
 H    3.739600       1.109800      0.6705000    
 H    4.593500      0.3487000     -0.6515000    
 H    3.526900       1.709000      -1.003500    
 H    1.622900       2.788600       1.567300    


%chk=000159578-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159578

0 1
O 0.537089 -1.809614 -1.645786
O -1.232850 2.295994 -0.574125
O -2.522897 -2.210597 1.135327
O 1.750421 1.610732 1.531039
O 3.622777 -1.686174 1.026070
O -1.925471 -0.151501 2.156331
O -0.167346 3.483338 1.073954
C 1.003831 0.311935 -0.505548
C 0.309874 -1.101690 -0.349631
C -1.245244 -1.040958 -0.218716
C -1.852139 -0.070183 -1.299884
C 0.474939 0.976563 -1.786512
C 2.509724 -0.112922 -0.557224
C -1.031553 1.212680 -1.608281
C 1.151346 -1.768473 0.758115
C 0.603016 1.197509 0.739385
C -1.918154 -2.449280 -0.245803
C 2.588300 -1.234369 0.492185
C -1.881822 -0.939857 1.209704
C -3.334058 0.277802 -1.034287
C -0.260653 2.430635 0.406176
C 3.648969 0.916258 -0.538439
H -1.781213 -0.648246 -2.245716
H 0.647910 0.315143 -2.652570
H 0.982020 1.940605 -1.976240
H 2.585187 -0.664389 -1.523462
H -1.475346 1.672837 -2.507841
H 1.128272 -2.873934 0.767833
H 0.849728 -1.434366 1.769082
H -0.069704 0.618817 1.404002
H -2.716764 -2.595959 -0.986689
H -1.245288 -3.318293 -0.200423
H -3.432445 0.942966 -0.159709
H -3.765823 0.803982 -1.904406
H -3.945070 -0.624498 -0.853903
H 0.759150 -2.757184 -1.466589
H 3.664146 1.474471 0.405840
H 4.611650 0.388110 -0.658505
H 3.547095 1.631072 -1.375884
H 1.494295 2.463537 1.982232


