%chk=000052232.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052232

0 1
 O    3.215200     -0.8925000      0.4124000    
 O    3.619700       1.996000      0.5718000    
 O   -1.452800      -1.456700      -1.258800    
 O   -6.141300     -0.6022000      0.6256000    
 O   -5.138900       1.427000      0.4126000    
 C    1.037200     -0.5782000     -9.8899998E-02
 C  -8.7099999E-02  0.2279000     -0.3492000    
 C    2.245700      4.1900001E-02  0.2016000    
 C    1.300400      -1.973000     -6.5899998E-02
 C   -1.377000     -0.3588000     -0.6679000    
 C    2.419300       1.422900      0.2724000    
 C   -2.674600      0.3722000     -0.2748000    
 C   5.6499999E-02   1.620800     -0.2855000    
 C    2.632800      -2.108900      0.2479000    
 C    1.288300       2.205000      1.9900000E-02
 C   -3.848600     -0.5670000     -2.2299999E-02
 C    3.507400      -3.276000      0.4295000    
 C   -5.086900      0.2056000      0.3510000    
 C    4.484900       2.293900     -0.5215000    
 H   0.6093000      -2.784700     -0.2444000    
 H   -2.489300      0.9554000      0.6354000    
 H   -2.915100       1.072200      -1.084000    
 H  -0.7840000       2.280700     -0.4862000    
 H    1.364200       3.289500      5.8600001E-02
 H   -4.067600      -1.150600     -0.9229000    
 H   -3.604800      -1.256800      0.7929000    
 H    3.925800      -3.289400       1.440700    
 H    2.957100      -4.209800      0.2780000    
 H    4.335500      -3.250800     -0.2856000    
 H    4.748800       1.379400      -1.062000    
 H    5.399600       2.741600     -0.1234000    
 H    4.011300       3.009400      -1.201200    
 H   -6.940400     -8.9800000E-02  0.8730000    


%chk=000052232-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052232

0 1
O 3.360470 -0.657887 -0.155487
O 3.509693 2.459191 -0.103378
O -1.546833 -1.719222 -0.043706
O -6.422222 -0.473604 0.433044
O -5.407642 1.128528 -0.901956
C 1.046657 -0.448269 -0.067598
C -0.190368 0.268193 -0.005223
C 2.282729 0.259653 -0.098358
C 1.390556 -1.858612 -0.108981
C -1.488604 -0.447922 0.024234
C 2.367660 1.670228 -0.076366
C -2.784299 0.374333 0.114665
C -0.100087 1.689864 0.015496
C 2.767159 -1.956169 -0.160303
C 1.131251 2.370567 -0.019971
C -4.017939 -0.517226 0.324158
C 3.723353 -3.099559 -0.218997
C -5.296655 0.154704 -0.122148
C 4.839349 1.819728 -0.166006
H 0.675728 -2.675596 -0.103234
H -2.703753 1.121531 0.925957
H -2.909342 0.955811 -0.821093
H -1.013670 2.290489 0.053296
H 1.172976 3.463395 -0.005945
H -3.889860 -1.453886 -0.255027
H -4.124589 -0.841207 1.373457
H 4.411688 -3.093239 0.646330
H 3.168775 -4.051300 -0.214445
H 4.341261 -3.060974 -1.135180
H 5.009820 1.179066 0.715778
H 5.548266 2.660299 -0.174432
H 4.943280 1.217354 -1.084367
H -7.244205 -0.032062 0.084587


