%chk=000171508.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171508

0 1
 O   -3.996600     -0.9912000     -0.6632000    
 O   -4.514700       1.636300      0.1576000    
 O   -4.212500       5.186500     -0.2095000    
 O   -2.678900       3.627600      0.4271000    
 C    3.882900     -0.2935000      8.7399997E-02
 C    5.308300     -0.2044000     -0.4621000    
 C    2.991500      -1.266000     -0.6916000    
 C    6.162000      0.7612000      0.3648000    
 C    1.587000      -1.410500     -9.5799997E-02
 C    7.597700      0.8208000     -0.1618000    
 C   0.6992000      -2.377600     -0.8886000    
 C    8.487300       1.796100      0.6120000    
 C  -0.6924000      -2.525200     -0.3266000    
 C    9.932600       1.806200      0.1383000    
 C   -1.713200      -1.679000     -0.7598000    
 C  -0.9587000      -3.508100      0.6265000    
 C   -3.000300      -1.816000     -0.2401000    
 C   -2.245800      -3.645100       1.146500    
 C   -3.266500      -2.799100      0.7131000    
 C   -5.036400     -0.6975000      0.2687000    
 C   -5.568900      0.6956000     -6.8000001E-03
 C   -4.952700       2.961000     -0.1105000    
 C   -3.811100       3.921800      7.4400000E-02
 H    3.424000      0.7028000      7.3700003E-02
 H    3.922000     -0.6097000       1.137300    
 H    5.278700      0.1286000      -1.506600    
 H    5.765800      -1.201100     -0.4525000    
 H    3.471300      -2.252200     -0.7171000    
 H    2.911300     -0.9250000      -1.731100    
 H    6.171500      0.4422000       1.414000    
 H    5.718000       1.763500      0.3346000    
 H    1.108900     -0.4235000     -5.7700001E-02
 H    1.668500      -1.756700      0.9424000    
 H    7.586200       1.111200      -1.219700    
 H    8.039400     -0.1824000     -0.1141000    
 H   0.6310000      -2.042900      -1.932000    
 H    1.176900      -3.365300     -0.9301000    
 H    8.076700       2.809000      0.5248000    
 H    8.469000       1.536700       1.677300    
 H    10.38720      0.8169000      0.2508000    
 H    10.52000       2.520200      0.7239000    
 H    9.995200       2.095300     -0.9155000    
 H   -1.511500     -0.9094000      -1.501000    
 H  -0.1715000      -4.172800      0.9723000    
 H   -2.454000      -4.414700       1.884000    
 H   -4.260200      -2.958500       1.121500    
 H   -5.838800      -1.435000      0.1600000    
 H   -4.658900     -0.7048000       1.299400    
 H   -5.937600      0.7523000      -1.037600    
 H   -6.386800      0.9277000      0.6841000    
 H   -5.300900       3.029300      -1.146600    
 H   -5.752700       3.232200      0.5865000    
 H   -3.485300       5.835300     -9.7400002E-02


%chk=000171508-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171508

0 1
O -3.753653 -0.512247 -0.428082
O -5.520792 1.838933 0.309074
O -6.155171 5.388096 -0.172998
O -5.240846 4.273069 1.658309
C 4.268896 -0.462575 0.157564
C 5.674378 -0.367643 -0.477881
C 3.264990 -1.270921 -0.695127
C 6.677216 0.444466 0.372648
C 1.864026 -1.369722 -0.052614
C 8.084446 0.536065 -0.259265
C 0.859124 -2.181713 -0.917035
C 9.086002 1.351312 0.590563
C -0.514802 -2.288189 -0.271654
C 10.490222 1.434932 -0.046093
C -1.546153 -1.388717 -0.618169
C -0.769453 -3.269571 0.726417
C -2.810929 -1.457695 0.015716
C -2.028695 -3.334741 1.355478
C -3.063500 -2.433202 1.011047
C -5.081150 -0.531308 0.198910
C -5.885991 0.608097 -0.404655
C -6.073006 3.017059 -0.326995
C -5.752254 4.234097 0.527697
H 3.869895 0.560369 0.320413
H 4.351740 -0.926267 1.162862
H 5.591328 0.093180 -1.484650
H 6.074430 -1.391042 -0.637438
H 3.665480 -2.293143 -0.862628
H 3.177499 -0.803945 -1.698829
H 6.757530 -0.014166 1.380657
H 6.278494 1.468765 0.529313
H 1.455348 -0.353074 0.115389
H 1.945077 -1.840987 0.947817
H 8.005707 0.993027 -1.268207
H 8.485719 -0.487738 -0.413391
H 0.777053 -1.699701 -1.910900
H 1.277364 -3.194387 -1.085013
H 8.685620 2.374646 0.742295
H 9.162094 0.895593 1.599105
H 10.925733 0.426402 -0.178818
H 11.185996 2.023621 0.579956
H 10.445162 1.913245 -1.042957
H -1.388361 -0.619833 -1.382614
H 0.019629 -3.979424 1.001417
H -2.217913 -4.094676 2.122392
H -4.032759 -2.501830 1.513253
H -5.577166 -1.503131 -0.005613
H -4.999644 -0.385281 1.294280
H -5.655841 0.690692 -1.488279
H -6.974660 0.413071 -0.281805
H -5.652348 3.177492 -1.343158
H -7.180579 2.958280 -0.433611
H -5.967329 6.191460 0.383506


