%chk=000157469.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157469

0 1
 O   0.1747000      -1.323700     -0.8815000    
 O  -0.1034000       1.745100      4.4500001E-02
 O    4.370800      -1.325700       2.072800    
 O  -0.9715000     -0.3065000      -2.599300    
 O   0.2243000      0.5856000       2.005900    
 C    2.366500      -2.285200     -0.9542000    
 C    2.855200      -1.448400      0.2229000    
 C    1.279300      -1.567100      -1.741100    
 C    3.972100      -2.147700      0.9846000    
 C   -1.971400     -0.4885000     -0.4425000    
 C   -1.757500      0.2446000      0.7249000    
 C  -0.8894000     -0.6829000      -1.440500    
 C    1.154500       2.407200      0.2147000    
 C    1.373300       3.355200     -0.9544000    
 C   -3.221200      -1.056400     -0.6902000    
 C   -2.793400      0.4097000       1.644300    
 C  -0.4633000      0.8492000       1.012600    
 C   -4.257100     -0.8911000      0.2292000    
 C   -4.043100     -0.1582000       1.396400    
 C    2.700400       4.084700     -0.8493000    
 H    1.971200      -3.234900     -0.5738000    
 H    3.203000      -2.517500      -1.623100    
 H    3.214400     -0.4730000     -0.1278000    
 H    2.033500      -1.235600      0.9163000    
 H   0.9595000      -2.197000      -2.579200    
 H    1.660500     -0.6167000      -2.133000    
 H    3.631400      -3.109200       1.381900    
 H    4.839800      -2.316000      0.3388000    
 H    1.330700       2.793200      -1.895100    
 H   0.5514000       4.079800     -0.9991000    
 H    1.142800       2.965800       1.157700    
 H    1.953500       1.658500      0.2491000    
 H   -3.400300      -1.631200      -1.595200    
 H   -2.640800      0.9796000       2.557400    
 H   -5.230100      -1.333400      3.6499999E-02
 H   -4.849900     -2.9400000E-02   2.112200    
 H    2.748100       4.682300      6.6600002E-02
 H    3.536700       3.378300     -0.8429000    
 H    2.831600       4.758400      -1.701700    
 H    5.082400      -1.795900       2.539600    


%chk=000157469-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157469

0 1
O 0.032235 -1.345862 -0.870794
O -0.009166 1.409694 0.214530
O 4.605529 0.009918 1.143668
O -1.260089 -0.793996 -2.727637
O -0.252306 0.722024 2.427547
C 2.310705 -2.206853 -0.952198
C 2.909518 -0.980123 -0.235266
C 1.097903 -1.828031 -1.804125
C 4.149856 -1.287141 0.603036
C -2.177332 -0.484351 -0.487459
C -1.950018 0.115206 0.784106
C -1.111152 -0.834581 -1.481971
C 1.221262 2.169709 0.612356
C 1.846649 2.727322 -0.665659
C -3.493929 -0.869183 -0.848276
C -3.031339 0.242788 1.692890
C -0.654908 0.724515 1.237738
C -4.567789 -0.710261 0.051473
C -4.331340 -0.170985 1.336440
C 3.209131 3.390604 -0.360046
H 2.013216 -2.979993 -0.217517
H 3.061959 -2.668813 -1.625223
H 3.183316 -0.210803 -0.984112
H 2.140027 -0.542859 0.422323
H 0.690956 -2.687636 -2.367296
H 1.327370 -1.018265 -2.521005
H 3.897623 -1.991035 1.425308
H 4.943994 -1.747438 -0.025198
H 1.986283 1.899521 -1.385720
H 1.154717 3.450183 -1.136544
H 0.913262 2.968531 1.312985
H 1.909065 1.489666 1.145135
H -3.653289 -1.305770 -1.839306
H -2.833031 0.684802 2.674383
H -5.576813 -1.017014 -0.243308
H -5.154377 -0.060052 2.050203
H 3.100465 4.220278 0.363847
H 3.914457 2.653181 0.065835
H 3.657191 3.805760 -1.280303
H 5.349391 -0.136658 1.780162


