%chk=000158122.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158122

0 1
 O  -0.3598000     -0.7719000      0.1233000    
 O    1.176800      -1.723400       1.566200    
 O   -5.186300       1.780400      0.4536000    
 C    2.370300      0.9652000     -3.7400000E-02
 C    3.261500     -0.1693000      0.3369000    
 C    1.928500     -0.4500000     -0.2694000    
 C    1.762500       1.740400       1.083100    
 C    2.670200       1.795000      -1.241300    
 C    4.461600     -0.4550000     -0.4722000    
 C   0.8895000      -1.056800      0.5824000    
 C    5.687800      8.8100001E-02 -0.3476000    
 C    6.813200     -0.3144000      -1.259600    
 C    6.043600       1.120200      0.6848000    
 C   -1.435800      -1.322000      0.8901000    
 C   -2.738800     -0.9227000      0.2622000    
 C   -3.360200      0.2568000      0.6564000    
 C   -3.312700      -1.736600     -0.7079000    
 C   -4.571500      0.6275000      7.2700001E-02
 C   -4.524100      -1.366100      -1.291600    
 C   -5.153500     -0.1839000     -0.9013000    
 C   -6.422600       2.098400     -0.1835000    
 H    3.396800     -0.3847000       1.392300    
 H    1.901600     -0.7969000      -1.299100    
 H    1.645500       1.153100       2.000400    
 H    2.389400       2.603200       1.334300    
 H   0.7728000       2.114700      0.7992000    
 H    3.453500       2.527800      -1.019300    
 H    2.998100       1.203000      -2.102800    
 H    1.776500       2.345200      -1.556400    
 H    4.325100      -1.205100      -1.250100    
 H    7.183600      0.5561000      -1.810800    
 H    7.639800     -0.7358000     -0.6784000    
 H    6.505800      -1.066300      -1.994000    
 H    6.846600      0.7480000       1.329400    
 H    6.387900       2.038000      0.1970000    
 H    5.200600       1.386600       1.328900    
 H   -1.382300     -0.9512000       1.921600    
 H   -1.348200      -2.415300      0.9201000    
 H   -2.909400      0.8935000       1.413400    
 H   -2.829900      -2.658300      -1.020800    
 H   -4.976200      -1.998300      -2.050400    
 H   -6.091900      4.3600000E-02  -1.395500    
 H   -7.192000       1.350000      3.4699999E-02
 H   -6.291700       2.257900      -1.259200    
 H   -6.770000       3.046500      0.2400000    


%chk=000158122-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158122

0 1
O -0.480006 1.989461 0.699476
O 0.701830 0.615272 2.181738
O -5.231244 -0.025789 -1.561655
C 3.246274 2.093252 0.928278
C 3.044263 0.740253 0.226268
C 1.844796 1.749292 0.329861
C 3.444731 2.085553 2.442724
C 4.011492 3.210060 0.217884
C 3.622655 0.402552 -1.099090
C 0.688560 1.374378 1.175681
C 3.957955 -0.842452 -1.553680
C 4.557767 -1.024065 -2.938450
C 3.777268 -2.128920 -0.768131
C -1.750746 1.686896 1.452678
C -2.488813 0.509814 0.851693
C -3.524135 0.727765 -0.081849
C -2.151041 -0.819162 1.229384
C -4.221338 -0.368406 -0.646807
C -2.848087 -1.903505 0.661402
C -3.886927 -1.694346 -0.277412
C -5.982637 -1.119649 -2.179867
H 2.927727 -0.093526 0.928161
H 1.571409 2.290161 -0.580352
H 2.844956 1.299537 2.929987
H 4.511992 1.912771 2.678137
H 3.154361 3.059333 2.881567
H 5.102009 3.061605 0.332736
H 3.789639 3.262868 -0.861950
H 3.752361 4.189791 0.660381
H 3.796284 1.250212 -1.778324
H 5.556991 -1.501029 -2.880667
H 3.926484 -1.689633 -3.560872
H 4.668578 -0.062486 -3.469206
H 3.126978 -2.832701 -1.324955
H 4.750034 -2.641743 -0.629216
H 3.329114 -1.975072 0.226121
H -2.323910 2.622213 1.356299
H -1.480798 1.499495 2.506346
H -3.805310 1.740289 -0.391278
H -1.344193 -0.984372 1.950516
H -2.589891 -2.928366 0.950963
H -4.417033 -2.552412 -0.701499
H -6.525161 -1.716718 -1.420731
H -5.319009 -1.783682 -2.767781
H -6.704027 -0.629587 -2.850111


