%chk=000077090.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077090

0 1
 O   -1.767800      0.2502000      -1.168500    
 O    2.390800      -2.047500      -1.524400    
 O    3.527300      -1.729900       1.656000    
 C   -6.600000     -2.3499999E-02 -0.2964000    
 C   -5.248800      0.4636000      0.2314000    
 C   -7.769300      0.2918000      0.6410000    
 C   -4.123400      0.1445000     -0.7517000    
 C   -9.128500     -0.1289000      8.0499999E-02
 C   -2.768500      0.5875000     -0.2179000    
 C   -10.26080      0.2701000       1.014900    
 C  -0.5141000     -1.2200000E-02 -0.6802000    
 C   0.3134000     -0.9036000      -1.353300    
 C    2.029800     -0.5418000      0.3082000    
 C  -8.2800001E-02  0.6170000      0.4820000    
 C    1.589800      -1.169400     -0.8573000    
 C    1.193300      0.3513000      0.9778000    
 C    3.356700     -0.8082000      0.8457000    
 C    4.552700     -3.4000000E-03  0.4567000    
 C    4.389700       1.026300     -0.4412000    
 C    5.770400     -0.3226000       1.012000    
 C    5.506900       1.778500     -0.8044000    
 C    6.887500      0.4297000      0.6487000    
 C    6.755600       1.480300     -0.2594000    
 H   -6.791100      0.4394000      -1.272700    
 H   -6.557400      -1.107000     -0.4630000    
 H   -5.043900     -1.2000000E-02   1.198000    
 H   -5.290000       1.545600      0.4051000    
 H   -7.782000       1.370700      0.8407000    
 H   -7.602500     -0.2057000       1.604500    
 H   -4.095700     -0.9328000     -0.9593000    
 H   -4.311900      0.6311000      -1.716800    
 H   -9.146700      -1.214100     -7.1999997E-02
 H   -9.288300      0.3398000     -0.8974000    
 H   -2.763800       1.672300     -6.0199998E-02
 H   -2.604400      7.8500003E-02  0.7410000    
 H   -10.14540     -0.2034000       1.995100    
 H   -11.22340     -4.1800000E-02  0.5979000    
 H   -10.28810       1.355100       1.157800    
 H  -3.9099999E-02  -1.387400      -2.260500    
 H  -0.6911000       1.339700       1.017000    
 H    1.527300      0.8501000       1.884200    
 H    3.436000       1.288100     -0.8862000    
 H    5.897700      -1.135100       1.720300    
 H    1.916900      -2.379400      -2.306200    
 H    5.404800       2.596600      -1.511600    
 H    7.860100      0.1979000       1.072800    
 H    7.625400       2.066000     -0.5422000    


%chk=000077090-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077090

0 1
O -1.825788 -0.357924 -0.626091
O 2.845410 -1.037277 -1.598848
O 3.848026 -0.746162 2.344369
C -6.799170 0.023043 -0.366850
C -5.465868 0.163446 0.401714
C -8.036367 0.365802 0.492848
C -4.234424 -0.169552 -0.471889
C -9.371505 0.216750 -0.271758
C -2.927147 -0.045951 0.311705
C -10.602849 0.562459 0.593081
C -0.518445 -0.328890 -0.136248
C 0.484743 -0.657819 -1.078194
C 2.233404 -0.311478 0.633027
C -0.162584 -0.013532 1.202152
C 1.841976 -0.651689 -0.697279
C 1.197155 -0.026192 1.559415
C 3.640332 -0.329135 1.158302
C 4.786064 0.207724 0.351018
C 4.604730 1.179012 -0.667573
C 6.101646 -0.207797 0.688834
C 5.720204 1.725976 -1.335909
C 7.214770 0.323299 0.007583
C 7.026830 1.294665 -1.005775
H -6.778885 0.682434 -1.259584
H -6.893860 -1.014666 -0.749004
H -5.485932 -0.503621 1.289056
H -5.377385 1.199123 0.791453
H -7.946166 1.406088 0.870077
H -8.054683 -0.288832 1.389561
H -4.319088 -1.199214 -0.869086
H -4.195041 0.510197 -1.344685
H -9.461806 -0.823006 -0.647346
H -9.352928 0.869833 -1.168263
H -2.792412 0.982529 0.706021
H -2.900798 -0.760288 1.160308
H -10.663302 -0.097738 1.478982
H -11.543251 0.449166 0.023050
H -10.551735 1.606257 0.956606
H 0.177508 -0.929756 -2.094926
H -0.919032 0.233611 1.950622
H 1.494924 0.188828 2.590864
H 3.594233 1.514853 -0.922239
H 6.224028 -0.941292 1.492646
H 2.455415 -1.302070 -2.468945
H 5.574197 2.486471 -2.111157
H 8.225808 -0.010949 0.265463
H 7.892345 1.715266 -1.530605


