%chk=000052404.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052404

0 1
 O   0.9630000      0.4673000     -0.8106000    
 O    3.154200      -1.083700     -0.7929000    
 C   -1.280900     -0.1663000     -0.1793000    
 C   -2.576500      0.2383000      0.2216000    
 C  -0.3008000      0.8098000     -0.4220000    
 C   -1.003400      -1.535200     -0.3252000    
 C   -2.853800       1.607300      0.3678000    
 C  -0.5940000       2.165500     -0.2719000    
 C    2.030900      0.8704000      4.1900001E-02
 C   -3.556400     -0.7379000      0.4644000    
 C   -1.868000       2.563500      0.1223000    
 C    4.404500      0.2373000      0.7943000    
 C    3.194900     -9.5500000E-02 -6.1400000E-02
 C   -1.989200      -2.491400     -7.9899997E-02
 C   -3.263300      -2.093600      0.3141000    
 C    5.538700     -0.7558000      0.6169000    
 H  -1.8200001E-02  -1.880100     -0.6314000    
 H   -3.842900       1.941400      0.6745000    
 H    1.708900      0.8926000       1.090100    
 H    2.378900       1.861400     -0.2674000    
 H   0.1580000       2.924800     -0.4685000    
 H   -4.559100     -0.4498000      0.7733000    
 H   -2.096300       3.619100      0.2369000    
 H    4.088300      0.2493000       1.842500    
 H    4.750900       1.239400      0.5208000    
 H   -1.761700      -3.547100     -0.1964000    
 H   -4.030200      -2.838600      0.5050000    
 H    5.222700      -1.767100      0.8932000    
 H    5.878100     -0.7833000     -0.4239000    
 H    6.389600     -0.4792000       1.247000    


%chk=000052404-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052404

0 1
O 0.937885 -0.141837 0.141672
O 3.292280 -1.514279 0.313140
C -1.443815 -0.348109 0.044912
C -2.764776 0.238981 0.100272
C -0.302385 0.516535 0.218407
C -1.300237 -1.755466 -0.175817
C -2.904479 1.650232 0.327315
C -0.459318 1.889985 0.440031
C 2.135944 0.649047 0.336196
C -3.901925 -0.617279 -0.073602
C -1.775056 2.450080 0.493565
C 4.699173 0.487224 0.159247
C 3.369300 -0.265413 0.275042
C -2.431052 -2.560915 -0.340583
C -3.741045 -1.988221 -0.290283
C 5.916515 -0.353622 0.585476
H -0.292833 -2.180032 -0.208871
H -3.908352 2.087540 0.368123
H 2.125733 1.151368 1.329948
H 2.227450 1.442111 -0.437954
H 0.403386 2.549743 0.570841
H -4.904769 -0.175595 -0.032844
H -1.882959 3.526339 0.667188
H 4.638616 1.433780 0.734014
H 4.801323 0.792294 -0.904787
H -2.316506 -3.637405 -0.508224
H -4.618674 -2.631069 -0.421327
H 5.864773 -0.610420 1.658031
H 5.947177 -1.300874 0.021995
H 6.855525 0.198075 0.404677


