%chk=000033261.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033261

0 1
 O  -0.6879000      0.2681000     -2.9600000E-02
 O   -4.264300     -0.3726000     -1.6000001E-02
 O   -7.819100      0.3741000      3.4299999E-02
 C    4.226300      0.4464000      3.6300000E-02
 C    2.997600     -0.4654000      1.8999999E-02
 C    5.552300     -0.3194000      5.7700001E-02
 C    1.705300      0.3488000     -2.5699999E-02
 C    6.780600      0.5898000      5.0000002E-04
 C   0.4753000     -0.5475000     -1.0000000E-03
 C    8.067600     -0.2198000     -4.8400000E-02
 C   -1.874600     -0.5140000     -8.5000005E-03
 C   -3.076800      0.4104000     -1.6600000E-02
 C   -5.426500      0.4445000     -1.0000000E-03
 C   -6.655800     -0.4436000     -1.1000000E-03
 H    3.004400      -1.101600      0.9122000    
 H    3.044600      -1.129600     -0.8523000    
 H    4.179600       1.104900      0.9125000    
 H    4.203500       1.095000     -0.8484000    
 H    5.576600      -1.009100     -0.7953000    
 H    5.597300     -0.9362000      0.9638000    
 H    1.681600      0.9756000     -0.9258000    
 H    1.664100       1.042200      0.8238000    
 H    6.796200       1.247100      0.8774000    
 H    6.726700       1.231900     -0.8862000    
 H   0.4729000      -1.156900      0.9104000    
 H   0.4784000      -1.213500     -0.8718000    
 H    8.094600     -0.8611000     -0.9351000    
 H    8.933800      0.4482000     -8.5900001E-02
 H    8.165600     -0.8541000      0.8384000    
 H   -1.897300      -1.145900      0.8878000    
 H   -1.906200      -1.175500     -0.8827000    
 H   -3.051400       1.061800      0.8656000    
 H   -3.048900       1.052400     -0.9054000    
 H   -5.428600       1.083500      0.8904000    
 H   -5.437600       1.100400     -0.8800000    
 H   -6.688200      -1.081400     -0.8906000    
 H   -6.661300      -1.101800      0.8735000    
 H   -7.812900      0.9271000     -0.7654000    


%chk=000033261-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033261

0 1
O -0.709913 0.238021 -0.006514
O -4.337411 -0.327446 -0.024861
O -8.004168 0.342803 0.047610
C 4.287311 0.448373 -0.002588
C 3.046378 -0.472605 0.003884
C 5.623724 -0.327378 0.003811
C 1.715526 0.313872 -0.002829
C 6.864727 0.594303 -0.004163
C 0.492294 -0.606636 0.001258
C 8.196319 -0.187312 0.002454
C -1.945601 -0.549882 -0.007323
C -3.095949 0.454863 -0.005737
C -5.531939 0.519978 -0.016222
C -6.745982 -0.418817 0.014584
H 3.085618 -1.130420 0.897392
H 3.086608 -1.143969 -0.879474
H 4.249093 1.120230 0.880142
H 4.249799 1.106675 -0.895547
H 5.662966 -1.000158 -0.878604
H 5.663175 -0.985236 0.897369
H 1.665652 0.966728 -0.895797
H 1.663312 0.978025 0.881596
H 6.824491 1.266388 0.877329
H 6.824328 1.251131 -0.897106
H 0.490707 -1.256393 0.906192
H 0.494175 -1.268361 -0.895041
H 8.274434 -0.844356 -0.884407
H 9.067036 0.494025 -0.004249
H 8.275280 -0.827868 0.901208
H -2.002455 -1.199804 0.892292
H -2.003013 -1.196188 -0.909626
H -3.047169 1.092266 0.902452
H -3.029975 1.111050 -0.899844
H -5.541908 1.184168 0.874604
H -5.554596 1.162650 -0.928013
H -6.705630 -1.114491 -0.848059
H -6.744727 -1.010254 0.942928
H -8.115015 0.825226 -0.810300


