%chk=000051518.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051518

0 1
 O   -3.950100     -0.6034000      0.1782000    
 O    6.851000     -0.1434000      -1.143000    
 O   -5.470700      0.6816000     -0.9880000    
 C   -1.505300     -0.3068000      0.1929000    
 C  -0.6508000      0.9351000     -0.1393000    
 C   0.7621000      0.8699000      0.4558000    
 C    1.490700     -0.3938000     -9.9399999E-02
 C   -2.874500      0.1112000     -0.4269000    
 C  -0.8072000      -1.532000     -0.4203000    
 C    2.972300     -0.5272000      0.4259000    
 C   -1.551400       2.102300      0.2519000    
 C   0.6400000      -1.680100      8.4500000E-02
 C   -2.977300       1.619100     -7.2300002E-02
 C    1.568700       2.131000      0.1196000    
 C   -1.682000     -0.5462000       1.721400    
 C    3.705500      0.8069000      0.2349000    
 C    2.979200       2.051000      0.6888000    
 C    3.681900      -1.646000     -0.3914000    
 C   -3.003100     -9.9699996E-02  -1.941000    
 C    3.022800     -0.8948000       1.926200    
 C    5.196700      -1.630800     -0.2590000    
 C    4.940500      0.9180000     -0.2824000    
 C    5.741800     -0.2775000     -0.6303000    
 C   -5.207000     -0.2118000     -0.1951000    
 C   -6.224300      -1.061600      0.5295000    
 C   -7.649500     -0.6710000      0.1786000    
 H  -0.5198000       1.000300      -1.229900    
 H   0.6906000      0.8069000       1.546900    
 H    1.561000     -0.2429000      -1.189200    
 H  -0.7691000      -1.454000      -1.512900    
 H   -1.370500      -2.445700     -0.1956000    
 H   -1.305700       3.011900     -0.3060000    
 H   -1.462400       2.336600       1.318700    
 H   0.6252000      -1.982300       1.136000    
 H    1.096500      -2.510900     -0.4651000    
 H   -3.625300       1.802100      0.7932000    
 H   -3.379100       2.211600     -0.9023000    
 H    1.073800       3.017800      0.5322000    
 H    1.616400       2.270800     -0.9682000    
 H   -2.219500      0.2712000       2.212900    
 H   -2.254700      -1.463400       1.902800    
 H  -0.7329000     -0.6601000       2.250700    
 H    2.933200       2.055700       1.784900    
 H    3.524800       2.958200      0.4013000    
 H    3.434300      -1.533700      -1.456300    
 H    3.317900      -2.635800     -9.1300003E-02
 H   -3.800800      0.4726000      -2.419900    
 H   -2.093900      0.1988000      -2.472100    
 H   -3.189100      -1.155500      -2.171400    
 H    2.421500     -0.2172000       2.540200    
 H    2.657300      -1.911300       2.105100    
 H    4.046400     -0.8516000       2.316700    
 H    5.623700      -2.376200     -0.9390000    
 H    5.519500      -1.873600      0.7582000    
 H    5.422100       1.881200     -0.4140000    
 H   -6.057100      -2.108900      0.2573000    
 H   -6.070800     -0.9416000       1.607200    
 H   -7.835600     -0.7857000     -0.8945000    
 H   -8.361800      -1.301900      0.7191000    
 H   -7.847200      0.3732000      0.4428000    


%chk=000051518-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051518

0 1
O -3.966129 -0.604405 0.020727
O 6.994585 -0.331761 -1.010384
O -5.702135 0.709648 -0.848125
C -1.522933 -0.215718 0.087139
C -0.626871 1.030425 -0.203588
C 0.777022 0.933187 0.429677
C 1.486835 -0.355685 -0.099991
C -2.868420 0.244009 -0.589914
C -0.825555 -1.462364 -0.506242
C 2.955670 -0.546059 0.464766
C -1.532808 2.236645 0.157357
C 0.605790 -1.627732 0.072653
C -2.985119 1.756755 -0.183484
C 1.629858 2.179308 0.103312
C -1.768364 -0.418384 1.610150
C 3.741807 0.763790 0.265342
C 3.057527 2.051260 0.685720
C 3.646146 -1.702867 -0.325189
C -2.934747 0.032835 -2.114810
C 2.948871 -0.877753 1.992469
C 5.179744 -1.746419 -0.165063
C 5.020972 0.793894 -0.231814
C 5.821750 -0.409570 -0.529787
C -5.306028 -0.287524 -0.200191
C -6.199326 -1.338463 0.449947
C -7.663106 -0.879611 0.580856
H -0.460320 1.056569 -1.304196
H 0.670147 0.872489 1.533212
H 1.608914 -0.196498 -1.197575
H -0.749641 -1.360839 -1.606781
H -1.416929 -2.376674 -0.303197
H -1.260429 3.146564 -0.405613
H -1.440766 2.481300 1.232902
H 0.539746 -1.899656 1.142626
H 1.088171 -2.482863 -0.436017
H -3.655307 1.860960 0.687239
H -3.440690 2.339360 -0.999921
H 1.148315 3.089972 0.507202
H 1.688962 2.303630 -0.997901
H -2.291259 0.441056 2.064078
H -2.397790 -1.308973 1.772055
H -0.823368 -0.561195 2.159912
H 2.980701 2.069271 1.794260
H 3.678330 2.919636 0.399078
H 3.408067 -1.581477 -1.401671
H 3.221135 -2.673294 -0.009093
H -3.869701 0.462361 -2.510168
H -2.090173 0.534956 -2.618804
H -2.902497 -1.040528 -2.369787
H 2.393152 -0.124138 2.577629
H 2.483805 -1.861881 2.178821
H 3.978538 -0.912485 2.390732
H 5.630155 -2.538262 -0.789359
H 5.455420 -1.976486 0.884606
H 5.532930 1.752991 -0.386406
H -6.134607 -2.254123 -0.171689
H -5.764877 -1.609042 1.429521
H -8.067566 -0.576958 -0.399626
H -8.287498 -1.696114 0.984605
H -7.749207 -0.010470 1.256091


