%chk=000031405.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031405

0 1
 O  -3.9999999E-04  -1.706800      3.1000001E-03
 C   -2.520100     -0.3885000      6.9999998E-04
 C    2.502900     -0.3591000     -2.9000000E-03
 C   -1.182100      0.3693000      3.0000001E-04
 C    1.195000      0.3618000     -1.8000000E-03
 C  -8.8000000E-03 -0.3429000      9.9999997E-05
 C   -3.688700      0.6206000     -7.9999998E-04
 C   -2.615400      -1.273800       1.262300    
 C   -2.714800      -1.314000      -1.221700    
 C    3.605400      0.4724000      0.7215000    
 C    2.995900     -0.6309000      -1.457200    
 C    2.499000      -1.754000      0.7044000    
 C   -1.229200       1.742300     -1.3000000E-03
 C    1.186700       1.756600     -3.5999999E-03
 C  -2.5300000E-02   2.447000     -3.1999999E-03
 H   -4.646600      8.3400004E-02  1.1400000E-02
 H   -3.702100       1.254800      0.8939000    
 H   -3.711200       1.242700     -0.9038000    
 H   -2.409800     -0.6916000       2.168600    
 H   -3.625900      -1.687900       1.366400    
 H   -1.934600      -2.129100       1.257400    
 H   -3.720700      -1.750300      -1.230100    
 H   -2.588100     -0.7536000      -2.155400    
 H   -2.010600      -2.150000      -1.247300    
 H    4.528700     -0.1093000      0.8346000    
 H    3.285500      0.7733000       1.726200    
 H    3.896000       1.367600      0.1612000    
 H    3.113300      0.3070000      -2.012800    
 H    3.963800      -1.144800      -1.460100    
 H    2.281600      -1.250400      -2.011200    
 H    3.524500      -2.074600      0.9304000    
 H    1.965900      -1.720500       1.661500    
 H    2.098800      -2.561700      8.4600002E-02
 H   -2.120300       2.354600     -4.1000000E-03
 H    2.089300       2.355800     -3.2000002E-02
 H  -3.0999999E-02   3.533300     -1.1000000E-02
 H   0.3531000      -1.981200     -0.8616000    


%chk=000031405-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031405

0 1
O -0.080141 -1.703062 -0.289521
C -2.626060 -0.385073 -0.113110
C 2.600311 -0.395039 0.007465
C -1.275900 0.367684 0.022292
C 1.242397 0.363766 0.076581
C -0.016536 -0.305190 -0.061831
C -3.839573 0.573800 0.029353
C -2.752055 -1.464314 1.006412
C -2.726749 -1.058621 -1.516472
C 3.807093 0.562907 0.208630
C 2.803010 -1.053820 -1.397793
C 2.699088 -1.459916 1.150116
C -1.234618 1.766726 0.238968
C 1.203192 1.765130 0.288761
C -0.016247 2.463957 0.367384
H -4.771377 -0.013539 -0.064894
H -3.859434 1.074941 1.015079
H -3.852455 1.347477 -0.760797
H -2.720098 -0.992623 2.006424
H -3.719071 -1.993716 0.907128
H -1.939517 -2.203959 0.940932
H -3.693408 -1.590190 -1.607267
H -2.677413 -0.297224 -2.317321
H -1.912503 -1.783125 -1.669970
H 4.745241 -0.020574 0.168119
H 3.769459 1.068800 1.190154
H 3.858160 1.333255 -0.581867
H 2.787378 -0.276862 -2.182944
H 3.781880 -1.567274 -1.435920
H 2.033227 -1.798168 -1.677985
H 3.663251 -1.997667 1.083278
H 2.650095 -0.959211 2.133828
H 1.893566 -2.217107 1.143020
H -2.171211 2.325101 0.308236
H 2.137145 2.321642 0.396593
H -0.018324 3.547089 0.530766
H 0.827897 -2.078499 -0.375127


