%chk=000159052.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159052

0 1
 O   -3.282300       3.003100     -0.7013000    
 O    2.287300     -2.7700000E-02  -2.093300    
 O    2.040800      -2.021400      -3.156300    
 C   -2.407800       1.967200      -1.166700    
 C   -3.857900       1.703000     -0.8829000    
 C   -1.357800       1.569000     -0.2014000    
 C   -4.265600       1.037900      0.3972000    
 C   2.0999999E-03   2.172600     -0.4560000    
 C   -3.969800     -0.4335000      0.4510000    
 C   0.6831000       2.897700      0.4434000    
 C    2.030700       3.504100      0.1788000    
 C   -3.211000      -1.008900       1.395700    
 C    3.129200       2.933700       1.081400    
 C    3.330300       1.425900      0.9014000    
 C   -2.926300      -2.481400       1.454100    
 C    4.414300      0.8960000       1.840600    
 C   -1.451600      -2.759300       1.455200    
 C    4.589500     -0.6074000       1.696600    
 C  -0.8407000      -3.546200      0.5567000    
 C   0.6338000      -3.828000      0.5609000    
 C    1.351500      -3.291500     -0.6838000    
 C    1.202300      -1.787000     -0.9032000    
 C    1.875900      -1.317700      -2.168300    
 H   -2.090700       1.975300      -2.201000    
 H   -4.535300       1.544800      -1.710100    
 H   -1.229100      0.4824000     -0.2641000    
 H   -1.655500       1.789300      0.8303000    
 H   -3.836800       1.553500       1.265400    
 H   -5.351400       1.159100      0.5009000    
 H   0.4362000       1.994600      -1.436500    
 H   -4.409500      -1.049100     -0.3299000    
 H   0.2504000       3.077700       1.424300    
 H    1.960200       4.585900      0.3433000    
 H    2.319400       3.367100     -0.8708000    
 H   -2.786000     -0.3916000       2.184200    
 H    4.069400       3.455100      0.8633000    
 H    2.885300       3.147800       2.129900    
 H    2.396400      0.8897000       1.102100    
 H    3.613900       1.218500     -0.1362000    
 H   -3.423600      -3.009200      0.6312000    
 H   -3.352300      -2.877900       2.383500    
 H    4.153200       1.127500       2.879900    
 H    5.367400       1.393100       1.626700    
 H  -0.8626000      -2.301800       2.247100    
 H    3.662400      -1.135900       1.941500    
 H    4.875200     -0.8726000      0.6736000    
 H    5.372800     -0.9647000       2.372200    
 H   -1.425500      -4.015400     -0.2305000    
 H   0.7806000      -4.913000      0.6190000    
 H    1.106200      -3.401600       1.454600    
 H   0.9738000      -3.826500      -1.565200    
 H    2.417500      -3.542600     -0.6127000    
 H   0.1495000      -1.497900     -0.9793000    
 H    1.645100      -1.259000     -5.1500000E-02
 H    2.726000      0.2665000      -2.919900    


%chk=000159052-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159052

0 1
O -2.708467 2.704665 -1.029956
O 0.785539 -0.457151 -3.006995
O 0.838027 -2.490618 -4.123566
C -1.783037 1.499241 -1.097394
C -3.260957 1.297332 -0.930999
C -0.770402 1.335383 0.031204
C -3.915870 0.888393 0.387455
C 0.550529 2.017049 -0.268911
C -3.960121 -0.624780 0.508724
C 1.075018 3.040315 0.453150
C 2.386726 3.740929 0.162074
C -3.283529 -1.344820 1.440467
C 3.384258 3.700988 1.353893
C 3.916212 2.285236 1.668631
C -3.235887 -2.864872 1.501549
C 4.890596 2.256403 2.868286
C -1.833471 -3.362292 1.179416
C 5.437984 0.843662 3.166766
C -1.501865 -4.111367 0.095685
C -0.095541 -4.533561 -0.280778
C 0.339736 -3.975588 -1.665725
C 0.390242 -2.435718 -1.682703
C 0.690482 -1.864721 -3.052060
H -1.369113 1.339000 -2.103730
H -3.824652 0.996933 -1.828127
H -0.603973 0.245551 0.171103
H -1.195586 1.728562 0.971880
H -3.362834 1.329273 1.234742
H -4.939162 1.313897 0.412311
H 1.098276 1.632678 -1.143601
H -4.559187 -1.159558 -0.245561
H 0.514561 3.414973 1.325874
H 2.179571 4.803526 -0.085024
H 2.860152 3.291161 -0.733530
H -2.677320 -0.811481 2.190171
H 4.239796 4.371253 1.131635
H 2.888653 4.116213 2.256448
H 3.061963 1.607225 1.868709
H 4.429193 1.880542 0.770463
H -3.963137 -3.297385 0.789216
H -3.527186 -3.205207 2.517254
H 4.372719 2.651513 3.766410
H 5.735796 2.947237 2.669659
H -1.036802 -3.042821 1.870641
H 4.614859 0.140686 3.396427
H 5.988477 0.440647 2.295526
H 6.128963 0.849048 4.030025
H -2.299005 -4.422909 -0.599551
H -0.033812 -5.640018 -0.323129
H 0.617683 -4.202819 0.500141
H -0.361710 -4.326247 -2.446453
H 1.331195 -4.384481 -1.936009
H -0.574512 -2.012326 -1.338775
H 1.150188 -2.050068 -0.974782
H 0.982342 -0.119407 -3.923476


