%chk=000099526.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099526

0 1
 O    1.653900      -1.403200      0.4951000    
 O    6.009000      0.3912000      0.6482000    
 O   -7.012800     -0.6769000     -0.2751000    
 O    6.312700      -1.885100      0.5011000    
 C   0.8381000     -0.4160000     -0.1534000    
 C    1.455100      0.9972000      3.4699999E-02
 C  -0.6092000     -0.5500000      0.3946000    
 C   -1.561500      0.5789000     -8.7200001E-02
 C    2.680800      0.9769000     -0.9328000    
 C   -3.028100      0.4401000      0.4806000    
 C   0.4561000       2.085900     -0.4457000    
 C   0.9823000     -0.6712000      -1.665000    
 C  -0.9310000       1.958500      0.1819000    
 C    2.213400      0.1224000      -2.125800    
 C   -1.210700      -1.933000      7.5700000E-02
 C   -3.523000     -0.9943000      0.2586000    
 C    1.858200       1.304600       1.491300    
 C   -2.594800      -2.100900      0.6903000    
 C   -3.947800       1.459700     -0.2639000    
 C    3.958200      0.4242000     -0.3686000    
 C   -3.096000      0.7407000       1.997200    
 C   -5.429700       1.124800     -0.1385000    
 C   -4.717000      -1.284300     -0.2912000    
 C   -5.723000     -0.2582000     -0.7120000    
 C    4.974700       1.298000      0.2516000    
 C    4.340200     -0.8500000     -0.3452000    
 C    5.651900     -0.8801000      0.3034000    
 H  -0.5366000     -0.4895000       1.489100    
 H   -1.646100      0.4795000      -1.179300    
 H    2.901300       1.989300      -1.297000    
 H   0.3383000       2.055000      -1.536100    
 H   0.8590000       3.082400     -0.2227000    
 H   0.1118000     -0.3276000      -2.232300    
 H    1.120500      -1.735500      -1.887700    
 H  -0.8633000       2.150700       1.257200    
 H   -1.560300       2.751500     -0.2363000    
 H    2.977900     -0.5311000      -2.558900    
 H    1.908000      0.7865000      -2.945400    
 H  -0.5596000      -2.727900      0.4580000    
 H   -1.281200      -2.075600      -1.009900    
 H    2.578800      0.5875000       1.895600    
 H    2.299700       2.304200       1.571000    
 H   0.9937000       1.277000       2.162100    
 H   -2.517900      -2.104100       1.784200    
 H   -2.988200      -3.085100      0.4081000    
 H   -3.693000       1.485100      -1.332100    
 H   -3.785200       2.475400      0.1160000    
 H    1.517200      -1.330500       1.454500    
 H   -2.369700      0.1573000       2.571300    
 H   -2.904400       1.798300       2.207800    
 H   -4.085100      0.5080000       2.409000    
 H   -5.751400       1.189500      0.9084000    
 H   -6.030300       1.872100     -0.6719000    
 H   -4.993700      -2.324400     -0.4481000    
 H   -5.745600     -0.2161000      -1.806500    
 H    5.390200       2.016800     -0.4609000    
 H    4.613400       1.825200       1.137100    
 H    3.844700      -1.727100     -0.7229000    
 H   -7.000500     -0.7358000      0.6958000    


%chk=000099526-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099526

0 1
O 1.577095 -1.667746 0.349347
O 6.209242 1.096462 0.516015
O -7.227936 -0.423153 -0.400436
O 6.837336 -1.093183 1.087770
C 0.759849 -0.568875 -0.243209
C 1.459638 0.818608 0.012875
C -0.689980 -0.669717 0.320656
C -1.597091 0.533147 -0.079072
C 2.699540 0.808418 -0.998182
C -3.055821 0.440549 0.536087
C 0.493255 1.956778 -0.442711
C 0.915184 -0.789811 -1.760626
C -0.897920 1.881833 0.221033
C 2.332335 -0.258190 -2.095259
C -1.356617 -2.007515 -0.081657
C -3.639023 -0.949631 0.210149
C 1.853991 1.032631 1.492214
C -2.759977 -2.141914 0.554146
C -3.940464 1.555447 -0.109712
C 4.050666 0.562204 -0.370406
C -3.040336 0.630390 2.085982
C -5.454090 1.290488 0.030872
C -4.861890 -1.122987 -0.366809
C -5.834177 -0.009617 -0.700719
C 5.013587 1.704783 -0.096770
C 4.638239 -0.598658 0.042125
C 5.983731 -0.331269 0.603657
H -0.593238 -0.665195 1.431324
H -1.740879 0.472057 -1.182045
H 2.738168 1.816747 -1.459002
H 0.370021 1.918202 -1.543514
H 0.968239 2.932694 -0.216171
H 0.131947 -0.239208 -2.310314
H 0.811650 -1.858933 -2.007837
H -0.795335 2.025952 1.313549
H -1.514657 2.721419 -0.149989
H 3.055066 -1.088324 -2.055803
H 2.386007 0.174637 -3.109760
H -0.710774 -2.853101 0.217974
H -1.459637 -2.047705 -1.184162
H 2.639521 0.329343 1.819083
H 2.245950 2.055068 1.649360
H 0.985672 0.916973 2.166245
H -2.643573 -2.220181 1.656060
H -3.243913 -3.077877 0.219525
H -3.694009 1.627033 -1.189902
H -3.694287 2.535757 0.339965
H 1.565380 -1.570207 1.336035
H -2.396181 -0.108167 2.595076
H -2.683880 1.638897 2.361534
H -4.058746 0.511927 2.496370
H -5.728107 1.191912 1.100739
H -6.041174 2.134589 -0.374225
H -5.212114 -2.136424 -0.611761
H -5.874423 0.161935 -1.793363
H 5.320731 2.223120 -1.025350
H 4.599728 2.451307 0.608359
H 4.211570 -1.599792 0.002823
H -7.270692 -0.673026 0.558918


