%chk=000097434.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097434

0 1
 O  -0.7279000     -0.4143000       2.297400    
 O    1.406000      -2.580000      -1.379700    
 O   0.1104000      -2.587400      0.4880000    
 C   0.7491000      0.3083000      0.6339000    
 C    1.456200     -0.6753000     -1.8800000E-02
 C    3.280300      0.8871000     -0.2804000    
 C    2.738800     -0.3825000     -0.4823000    
 C    1.256400       1.570700      0.8485000    
 C  -0.6273000      2.6200000E-02   1.142500    
 C    2.538900       1.863700      0.3849000    
 C   -1.817100      0.2506000      0.3372000    
 C    4.651400       1.201000     -0.7757000    
 C   -1.697200      0.7458000     -0.9613000    
 C   -3.078400     -2.9700000E-02  0.8629000    
 C   0.9180000      -2.010600     -0.2448000    
 C   -2.838400      0.9609000      -1.734000    
 C   -4.219600      0.1851000      9.0099998E-02
 C   -4.099600      0.6804000      -1.208400    
 H    3.339200      -1.134100     -0.9898000    
 H   0.6843000       2.334600       1.366500    
 H    2.949700       2.856200      0.5503000    
 H    4.850500      0.6938000      -1.725900    
 H    4.775000       2.274600     -0.9540000    
 H    5.398200      0.8818000     -4.1900001E-02
 H  -0.7361000      0.9768000      -1.410200    
 H   -3.199300     -0.4166000       1.871300    
 H   -2.745500       1.346300      -2.745200    
 H   -5.201700     -3.3199999E-02  0.4990000    
 H   -4.988100      0.8477000      -1.810100    
 H    1.038400      -3.478000      -1.524800    


%chk=000097434-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097434

0 1
O -0.818078 0.263878 2.558969
O 1.305189 -2.520406 -1.476332
O -0.332406 -2.261897 0.145091
C 0.735612 0.423496 0.733783
C 1.358624 -0.517410 -0.137327
C 3.384265 0.891364 -0.279817
C 2.665196 -0.271956 -0.634781
C 1.469522 1.573718 1.112965
C -0.666130 0.281604 1.301042
C 2.766001 1.807622 0.612183
C -1.841802 0.300557 0.371163
C 4.783436 1.144936 -0.809729
C -1.724376 0.712119 -0.982563
C -3.116378 -0.061384 0.883074
C 0.677786 -1.805138 -0.441515
C -2.865753 0.757579 -1.812232
C -4.252143 -0.024458 0.051966
C -4.129814 0.385307 -1.299057
H 3.117962 -1.018762 -1.293702
H 1.008948 2.285903 1.805200
H 3.306952 2.711165 0.918655
H 5.077812 0.387094 -1.554973
H 4.857711 2.139168 -1.287618
H 5.529299 1.120945 0.007080
H -0.748763 1.010913 -1.381819
H -3.185218 -0.371769 1.930709
H -2.771888 1.083342 -2.854074
H -5.231104 -0.314992 0.448687
H -5.014518 0.415940 -1.945241
H 0.818655 -3.378577 -1.604587


