%chk=000058173.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058173

0 1
 O  -0.4845000       2.387900      0.7833000    
 O   -2.756900      8.1699997E-02 -6.6399999E-02
 O   -2.139200     -0.2394000       2.127800    
 C    2.170800       2.659700     -0.1808000    
 C    1.469100       1.343800     -0.1054000    
 C    1.494700      -1.045500     -0.4620000    
 C   0.1880000      -1.131300      1.8800000E-02
 C    2.135200      0.1919000     -0.5241000    
 C   0.1625000       1.258100      0.3753000    
 C  -0.4780000      2.0600000E-02  0.4373000    
 C    2.540300       3.046100      -1.624700    
 C    3.424500       2.708600      0.7119000    
 C    2.230200      -2.263900     -0.9162000    
 C  -0.4943000      -2.461700      8.2599998E-02
 C   -1.845100     -6.2399998E-02  0.9411000    
 C    3.004300      -2.929500      0.1906000    
 C    4.334700      -3.069200      0.1980000    
 C   -4.138600      1.9800000E-02  0.3037000    
 C   -4.971800      0.1967000     -0.9221000    
 C   -5.846100     -0.7119000      -1.368700    
 H    1.527100       3.473900      0.1666000    
 H    3.154200      0.2490000     -0.8988000    
 H    3.274200       2.359000      -2.059200    
 H    2.970800       4.053100      -1.655000    
 H    1.653300       3.040700      -2.268000    
 H    3.172200       2.463900       1.749600    
 H    3.864700       3.711700      0.7011000    
 H    4.195000       2.005300      0.3783000    
 H    1.555300      -2.997200      -1.371800    
 H    2.907800      -1.985900      -1.735700    
 H   -1.444400      -2.445400      0.6235000    
 H  -0.7127000      -2.821500     -0.9286000    
 H   0.1215000      -3.199500      0.6052000    
 H    2.443300      -3.334500       1.028700    
 H   0.1137000       2.897200       1.355600    
 H    4.830400      -3.566400       1.024700    
 H    4.949100      -2.692600     -0.6123000    
 H   -4.339800     -0.9420000      0.7896000    
 H   -4.360300      0.8291000       1.008400    
 H   -4.856100       1.124900      -1.475400    
 H   -6.424200     -0.5227000      -2.266600    
 H   -6.000300      -1.653000     -0.8527000    


%chk=000058173-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058173

0 1
O -0.992870 1.828615 0.062724
O -2.814064 -0.396671 -0.513848
O -2.291652 -1.163944 1.626715
C 1.724295 2.523193 -0.834505
C 1.265867 1.075920 -0.622099
C 1.719499 -1.362624 -0.517701
C 0.390884 -1.618762 -0.069251
C 2.121755 -0.033782 -0.786107
C -0.061627 0.803691 -0.192751
C -0.502043 -0.518428 0.066420
C 2.953380 2.659056 -1.761621
C 2.003348 3.211657 0.535318
C 2.738591 -2.489906 -0.694115
C -0.074017 -3.041550 0.202912
C -1.922846 -0.724038 0.510453
C 3.536581 -2.751106 0.576571
C 4.890577 -2.757775 0.655890
C -4.275247 -0.462880 -0.166265
C -4.745333 0.859053 0.382886
C -5.736070 1.596365 -0.175933
H 0.900631 3.084797 -1.336368
H 3.150322 0.135038 -1.123189
H 3.856865 2.226452 -1.293750
H 3.163774 3.725940 -1.957807
H 2.790277 2.154595 -2.730797
H 1.140192 3.140194 1.222024
H 2.249348 4.280667 0.394557
H 2.861791 2.724111 1.031805
H 2.222900 -3.422647 -0.995043
H 3.439424 -2.238927 -1.511738
H -1.036476 -3.063440 0.735132
H -0.191150 -3.607261 -0.741992
H 0.656041 -3.591981 0.822135
H 2.944027 -2.931974 1.486475
H -0.669777 2.694371 -0.289929
H 5.409438 -2.950830 1.601555
H 5.519508 -2.572293 -0.224318
H -4.769345 -0.715491 -1.117255
H -4.411442 -1.272920 0.574358
H -4.244736 1.197806 1.299350
H -6.072771 2.537753 0.271703
H -6.243249 1.277156 -1.095400


