%chk=000093630.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093630

0 1
 O    2.742200      -1.737800     -0.5589000    
 O    2.937800     -0.3313000      -2.351100    
 O    2.717400      -2.595700       1.561300    
 C   -2.798000      0.9173000      0.2713000    
 C   -4.032600      0.1296000      0.7665000    
 C    2.138500       1.492900     -1.1100000E-02
 C   -1.546200      1.0200000E-02  0.1812000    
 C    3.282100      0.4940000     -9.8999999E-02
 C   -4.472900      -1.063500     -0.1064000    
 C  -0.2910000      0.7063000     -0.3036000    
 C   0.8645000      0.7862000      0.3865000    
 C    3.443700     -0.3274000       1.164300    
 C   -2.481100       2.108600       1.183000    
 C    2.464500       2.593400       1.000600    
 C    2.989800     -0.5365000      -1.148000    
 C   -4.761200     -0.5786000      -1.530800    
 C   -5.705600      -1.772900      0.4548000    
 C  -0.4105000       1.377700      -1.648100    
 C    2.918500      -1.672500      0.7877000    
 H   -3.024700       1.332500     -0.7171000    
 H   -3.832600     -0.2383000       1.781800    
 H   -4.875100      0.8280000      0.8605000    
 H    2.036700       1.985500     -0.9829000    
 H   -1.362300     -0.4479000       1.162000    
 H   -1.735500     -0.8196000     -0.5096000    
 H    4.226700      0.9931000     -0.3442000    
 H   -3.667700      -1.805500     -0.1463000    
 H   0.8560000      0.3224000       1.371700    
 H    2.937100      5.3700000E-02   2.052100    
 H    4.507800     -0.4448000       1.399500    
 H   -1.696300       2.749500      0.7708000    
 H   -2.165700       1.774200       2.177300    
 H   -3.370400       2.735800       1.310500    
 H    3.413500       3.081000      0.7517000    
 H    2.534900       2.224200       2.028600    
 H    1.685900       3.365200      0.9875000    
 H   -5.484800      0.2436000      -1.535500    
 H   -5.175100      -1.391500      -2.137900    
 H   -3.850900     -0.2423000      -2.035800    
 H   -5.979700      -2.632300     -0.1661000    
 H   -5.510800      -2.139800       1.467900    
 H   -6.566300      -1.097000      0.4994000    
 H  -0.7220000       2.420500      -1.534200    
 H   0.5137000       1.340700      -2.230400    
 H   -1.158500      0.8662000      -2.264800    


%chk=000093630-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093630

0 1
O 2.982323 -1.796623 -0.857050
O 2.747234 -0.090681 -2.430666
O 3.302430 -2.986288 1.125189
C -2.841343 1.000222 0.241933
C -4.084848 0.209732 0.735035
C 2.133365 1.546176 0.128117
C -1.562873 0.106600 0.246473
C 3.279330 0.485732 -0.056785
C -4.491386 -1.047453 -0.081995
C -0.306822 0.776188 -0.302182
C 0.801876 0.904368 0.485614
C 3.504790 -0.493596 1.116937
C -2.639857 2.263707 1.110385
C 2.550006 2.590224 1.194938
C 2.980050 -0.411898 -1.262430
C -4.754519 -0.720581 -1.571764
C -5.738657 -1.706960 0.554567
C -0.397371 1.248723 -1.743771
C 3.269139 -1.894241 0.555518
H -3.033478 1.327658 -0.800280
H -3.911708 -0.093909 1.790134
H -4.952512 0.903925 0.751441
H 2.046126 2.065378 -0.844278
H -1.383100 -0.239840 1.284422
H -1.765635 -0.797769 -0.363907
H 4.205530 1.045510 -0.290840
H -3.662982 -1.784641 -0.032566
H 0.727193 0.533435 1.521283
H 2.812352 -0.334916 1.960282
H 4.527580 -0.451298 1.529472
H -1.771510 2.858255 0.772165
H -2.462118 1.986117 2.167921
H -3.534746 2.913107 1.078665
H 3.503829 3.082858 0.927228
H 2.674036 2.125741 2.191813
H 1.773693 3.369534 1.287915
H -5.537389 0.057018 -1.668068
H -5.102122 -1.618778 -2.115294
H -3.846866 -0.351981 -2.084177
H -6.013464 -2.637744 0.024402
H -5.562159 -1.959127 1.617248
H -6.608597 -1.023011 0.509442
H -1.041810 2.146193 -1.825667
H 0.582026 1.486527 -2.186820
H -0.861236 0.465507 -2.373298


