%chk=000156965.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156965

0 1
 O   -2.144300     -0.4497000     -0.1333000    
 O   -3.742100     -0.4412000      -1.795600    
 O    3.123300      0.9204000      0.4002000    
 C   -4.330600      0.2081000      0.4780000    
 C   -4.867300       1.620900      0.1607000    
 C   -5.471000     -0.8111000      0.7431000    
 C   -3.785800       2.719300      5.1399998E-02
 C   -6.398600      -1.051500     -0.4513000    
 C   -4.923400      -2.150600       1.248900    
 C   -3.400700     -0.2613000     -0.6337000    
 C   -2.830700       2.491400      -1.121300    
 C   -2.987400       2.785100       1.357200    
 C   -1.165900     -0.8966000      -1.077000    
 C   0.1523000      -1.055000     -0.3779000    
 C    1.031800      2.0000000E-02 -0.3154000    
 C   0.4817000      -2.275200      0.2010000    
 C    2.256900     -0.1273000      0.3349000    
 C    1.707000      -2.422400      0.8512000    
 C    2.594600      -1.348600      0.9181000    
 C    4.458100      0.6698000      0.1293000    
 C    4.788600     -0.1111000     -0.9635000    
 C    5.426200       1.206600      0.9584000    
 C    6.133000     -0.3635000      -1.236500    
 C    6.770500      0.9543000      0.6853000    
 C    7.124000      0.1692000     -0.4121000    
 H   -3.753400      0.2593000       1.409300    
 H   -5.581500       1.912800      0.9415000    
 H   -5.426200       1.610100     -0.7829000    
 H   -6.090300     -0.3979000       1.551200    
 H   -4.301500       3.676000     -9.8999999E-02
 H   -5.892800      -1.566300      -1.272800    
 H   -6.824000     -0.1195000     -0.8326000    
 H   -7.240500      -1.685300     -0.1492000    
 H   -4.328900      -2.659400      0.4830000    
 H   -4.290300      -2.004800       2.130400    
 H   -5.742300      -2.819200       1.535500    
 H   -1.986500       1.846100     -0.8836000    
 H   -3.350700       2.139100      -2.016500    
 H   -2.378100       3.454400      -1.391100    
 H   -3.653200       2.861300       2.223200    
 H   -2.347600       3.675000       1.356500    
 H   -2.330200       1.922000       1.498900    
 H   -1.481600      -1.854800      -1.508600    
 H   -1.076400     -0.1740000      -1.897500    
 H   0.7720000      0.9742000     -0.7665000    
 H  -0.2037000      -3.117200      0.1580000    
 H    1.967200      -3.371700       1.310400    
 H    3.531400      -1.485500       1.451700    
 H    4.037200     -0.5174000      -1.634200    
 H    5.152500       1.817700       1.813100    
 H    6.408700     -0.9702000      -2.094100    
 H    7.542200       1.369200       1.327100    
 H    8.170800     -2.6200000E-02 -0.6254000    


%chk=000156965-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156965

0 1
O -2.507629 -1.577307 0.392431
O -2.513856 -0.286898 -1.552229
O 2.443170 0.562132 -0.666901
C -4.092337 0.240771 0.291225
C -3.920371 1.777816 0.126466
C -5.493695 -0.250503 -0.242590
C -2.952990 2.471912 1.129576
C -5.731771 0.076991 -1.735443
C -5.725639 -1.754331 0.035973
C -2.970162 -0.518972 -0.406435
C -1.501296 1.943521 1.037592
C -3.472837 2.407800 2.587146
C -1.432157 -2.451813 -0.203714
C -0.056854 -2.013163 0.248474
C 0.613318 -0.966354 -0.430017
C 0.571925 -2.646797 1.350153
C 1.890012 -0.556453 0.004686
C 1.851774 -2.225283 1.774867
C 2.521390 -1.175113 1.110281
C 3.843444 0.686918 -0.856952
C 4.687211 -0.420989 -1.106698
C 4.345740 2.006620 -0.886226
C 6.055326 -0.192508 -1.375241
C 5.714401 2.218772 -1.160354
C 6.576194 1.122483 -1.401382
H -4.052253 -0.034075 1.361329
H -4.920336 2.245178 0.238154
H -3.582546 1.984784 -0.906956
H -6.233786 0.322276 0.355885
H -2.935414 3.543099 0.833977
H -4.991016 -0.431302 -2.378022
H -5.660019 1.160440 -1.936501
H -6.741032 -0.257053 -2.040205
H -5.053278 -2.385715 -0.574032
H -5.544644 -2.003911 1.097597
H -6.765932 -2.035196 -0.212453
H -1.429264 0.893122 1.377052
H -1.117630 1.990511 0.002132
H -0.827285 2.541935 1.678602
H -4.506100 2.796440 2.665114
H -2.831422 3.010275 3.257093
H -3.467425 1.371494 2.975223
H -1.683685 -3.454688 0.175186
H -1.534627 -2.409784 -1.301957
H 0.144023 -0.460557 -1.279713
H 0.057726 -3.458913 1.876839
H 2.331791 -2.709265 2.632384
H 3.505338 -0.836787 1.449190
H 4.282489 -1.437832 -1.105766
H 3.660415 2.838803 -0.699592
H 6.711822 -1.047036 -1.573773
H 6.106773 3.241383 -1.183554
H 7.637506 1.290919 -1.612019


