%chk=000108377.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108377

0 1
 O   0.5866000      0.3764000     -0.1097000    
 O    1.628500      -1.417900      -1.117200    
 C   -1.743600       1.164600     -0.4819000    
 C   -2.783600     -0.5978000      0.4062000    
 C   -1.378500      -1.189400      5.1300000E-02
 C  -0.6861000      3.5500001E-02 -0.6239000    
 C   -3.039300      0.3910000     -0.7424000    
 C   -1.910700       1.563800       1.003100    
 C   -2.698000      0.3839000       1.589800    
 C   -1.494500       2.349700      -1.392500    
 C  -0.6256000      -1.768300       1.257800    
 C   -1.538000      -2.336200     -0.9714000    
 C    1.562900     -0.5826000     -0.2257000    
 C    2.524100     -0.4735000      0.9387000    
 C    3.750800      0.3987000      0.6296000    
 C    4.530400     -0.1383000     -0.5734000    
 C    3.314600       1.840400      0.3613000    
 H   -3.562400      -1.353400      0.5365000    
 H  -0.5593000     -0.1538000      -1.700100    
 H   -3.083300     -7.0699997E-02  -1.732900    
 H   -3.941700      0.9958000     -0.5956000    
 H   -2.488900       2.488500       1.113800    
 H  -0.9511000       1.705400       1.510500    
 H   -2.227000     -3.3199999E-02   2.482900    
 H   -3.702500      0.7162000       1.879400    
 H   -1.435300       2.037200      -2.440400    
 H   -2.301800       3.085600      -1.312500    
 H  -0.5551000       2.850800      -1.136100    
 H   -1.294500      -2.420000       1.833600    
 H   0.2250000      -2.392600      0.9688000    
 H  -0.2705000     -0.9940000       1.943900    
 H   -2.049900      -2.016200      -1.884100    
 H  -0.5690000      -2.746600      -1.272300    
 H   -2.123500      -3.157000     -0.5411000    
 H    1.991000     -8.9699998E-02   1.816800    
 H    2.837000      -1.491400       1.201200    
 H    4.407900      0.3880000       1.507600    
 H    4.801400      -1.188600     -0.4238000    
 H    5.458400      0.4285000     -0.7074000    
 H    3.961500     -5.9200000E-02  -1.505300    
 H    4.192300       2.488700      0.2619000    
 H    2.710200       2.227800       1.188300    
 H    2.734800       1.933800     -0.5626000    


%chk=000108377-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108377

0 1
O 0.496505 0.101586 0.509729
O 1.731067 -1.430169 -0.745796
C -1.606114 1.143842 -0.285389
C -2.999031 -0.603974 0.260106
C -1.616549 -1.337530 0.059452
C -0.694377 -0.114764 -0.362915
C -2.934024 0.519966 -0.816700
C -1.972463 1.400351 1.215637
C -2.989562 0.253690 1.558807
C -1.046206 2.362283 -1.025222
C -1.111359 -2.082871 1.316410
C -1.703903 -2.357434 -1.106674
C 1.665526 -0.595910 0.190566
C 2.808457 -0.179901 1.098738
C 3.877642 0.704084 0.370868
C 4.685731 -0.099242 -0.674328
C 3.243667 1.969009 -0.255014
H -3.854304 -1.298000 0.190663
H -0.310599 -0.265925 -1.390078
H -2.861027 0.153300 -1.856018
H -3.780011 1.228174 -0.752252
H -2.437118 2.398344 1.319150
H -1.073078 1.381530 1.853491
H -2.705449 -0.321553 2.455491
H -4.000937 0.662895 1.740395
H -0.861537 2.137114 -2.093164
H -1.749096 3.214670 -0.974683
H -0.088022 2.687223 -0.578659
H -1.886261 -2.786160 1.675476
H -0.208183 -2.672484 1.075584
H -0.854351 -1.399568 2.142394
H -2.156157 -1.917689 -2.014430
H -0.693585 -2.717912 -1.371566
H -2.319350 -3.229430 -0.814334
H 2.395069 0.373960 1.958712
H 3.302529 -1.097297 1.469320
H 4.577629 1.031159 1.167788
H 5.202798 -0.958101 -0.207331
H 5.450574 0.544487 -1.147256
H 4.027080 -0.497716 -1.465773
H 4.028675 2.638303 -0.652197
H 2.649415 2.534387 0.486405
H 2.573987 1.703173 -1.094705


