%chk=000112724.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112724

0 1
 O    1.166600      0.8435000     -0.1088000    
 O    2.064600      -1.138200      0.6595000    
 C   -2.943300     -0.1719000     -0.3754000    
 C   -2.553400       1.131400      0.3360000    
 C   -1.938900      -1.289500     -6.1799999E-02
 C  -0.1271000      0.4297000      0.3167000    
 C   -1.122200       1.545000      6.3999998E-03
 C  -0.5094000     -0.8692000     -0.3899000    
 C   -4.359000     -0.5949000      1.2100000E-02
 C    2.183100     -4.4100001E-02  0.1254000    
 C    3.479800      0.5417000     -0.3821000    
 C    4.659200     -0.3836000     -0.1382000    
 H   -2.930300      9.4999997E-03  -1.458500    
 H   -2.652300       1.008300       1.422100    
 H   -3.238700       1.936100      4.4100001E-02
 H   -2.193000      -2.188700     -0.6359000    
 H   -2.001200      -1.561800      0.9997000    
 H  -0.1056000      0.2732000       1.403600    
 H   -1.049000       1.823000      -1.053200    
 H  -0.8533000       2.447800      0.5680000    
 H   0.1281000      -1.717800     -0.1382000    
 H  -0.4036000     -0.7382000      -1.475200    
 H   -4.651300      -1.506100     -0.5204000    
 H   -4.436400     -0.7912000       1.086900    
 H   -5.081200      0.1880000     -0.2420000    
 H    3.378900      0.7260000      -1.456800    
 H    3.654200       1.493400      0.1308000    
 H    4.516400      -1.344200     -0.6442000    
 H    5.582200      6.7800000E-02 -0.5148000    
 H    4.787100     -0.5843000      0.9307000    


%chk=000112724-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112724

0 1
O 1.206764 0.597594 -0.374172
O 2.240241 -1.013868 0.965706
C -3.073683 -0.098890 -0.337266
C -2.484276 1.076812 0.485516
C -2.132420 -1.328766 -0.254412
C -0.143657 0.186353 0.143415
C -1.039732 1.427469 0.050175
C -0.686708 -0.986002 -0.692308
C -4.503702 -0.449851 0.124875
C 2.316939 -0.099204 0.112173
C 3.589687 0.410098 -0.549701
C 4.866437 -0.057393 0.172511
H -3.116231 0.222525 -1.401256
H -2.491629 0.798810 1.560892
H -3.130294 1.970316 0.384532
H -2.525367 -2.150455 -0.884031
H -2.124632 -1.705635 0.790127
H -0.013798 -0.135185 1.195480
H -1.038670 1.791462 -0.996089
H -0.626003 2.236736 0.680039
H -0.027297 -1.865357 -0.576656
H -0.677965 -0.692848 -1.761049
H -4.933324 -1.268484 -0.482429
H -4.504171 -0.779372 1.182114
H -5.179320 0.422325 0.043811
H 3.581634 0.049997 -1.598024
H 3.532400 1.512068 -0.610891
H 4.893220 -1.157449 0.249208
H 5.763957 0.281066 -0.374750
H 4.912604 0.345828 1.199061


