%chk=000092972.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000092972

0 1
 O  -0.9461000       1.218900      -1.490600    
 O  -0.4566000       1.810000       1.093300    
 O   -2.287600     -0.1503000      0.6084000    
 O    2.676500      0.6360000     -0.3662000    
 O   8.0899999E-02  -2.705800     -0.4146000    
 O    2.147700       2.651200      -2.022100    
 O  -0.6215000     -7.3600002E-02  -3.377700    
 O   0.4784000       1.355700       3.156200    
 O   -4.003100      -1.492100     -0.1619000    
 O    3.453100      0.2368000       1.772600    
 O   0.4698000      -4.284500       1.226500    
 C  -0.3014000      0.2221000     -0.6907000    
 C   0.4501000      0.8893000      0.4745000    
 C   -1.373200     -0.8007000     -0.2861000    
 C    1.763800       1.606500      0.1356000    
 C  -0.8235000      -2.019700      0.4470000    
 C    1.618600       2.687700     -0.9155000    
 C   -1.034800      0.9345000      -2.821000    
 C  -0.3256000       1.940800       2.443400    
 C   -3.571100     -0.6028000      0.5589000    
 C    3.465200      2.4599999E-02  0.5676000    
 C   -1.728700       2.059000      -3.528100    
 C   0.6588000      -3.828300      0.1070000    
 C   -1.331500       2.929900       2.949300    
 C   -4.406400      0.1623000       1.540200    
 C    4.369300     -0.9662000     -0.1012000    
 C    1.579000      -4.441300     -0.9047000    
 H   0.4518000     -0.3020000      -1.293300    
 H   0.7085000      9.0000004E-02   1.177600    
 H   -1.891700      -1.126200      -1.197300    
 H    2.171000       2.122700       1.014300    
 H   -1.646900      -2.695800      0.7092000    
 H  -0.3298000      -1.745600       1.385600    
 H   0.9907000       3.547400     -0.6240000    
 H   -1.156300       2.982200      -3.406300    
 H   -1.796700       1.829400      -4.595400    
 H   -2.740400       2.177500      -3.132000    
 H   -2.341900       2.575300       2.731100    
 H   -1.225200       3.033300       4.033000    
 H   -1.157100       3.904900       2.487500    
 H   -4.012700      2.3100000E-02   2.550300    
 H   -5.433500     -0.2126000       1.512400    
 H   -4.414100       1.222000       1.272800    
 H    3.774000      -1.694300     -0.6573000    
 H    4.947700      -1.500100      0.6582000    
 H    5.060300     -0.4445000     -0.7678000    
 H    1.004000      -4.778100      -1.770700    
 H    2.083400      -5.304100     -0.4605000    
 H    2.337700      -3.715100      -1.206000    


%chk=000092972-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000092972

0 1
O -0.598584 0.754928 -1.224876
O -0.266561 1.678350 1.570650
O -2.355941 -0.265311 0.938651
O 2.649929 0.705451 -0.465847
O 0.245042 -2.932195 0.787044
O 1.683432 2.909039 -1.868901
O -0.217799 -0.948740 -2.774204
O -0.222336 0.339793 3.485531
O -3.499905 -0.204033 -1.105439
O 4.397182 2.162825 0.061667
O -1.361420 -4.425874 -0.018578
C -0.103249 -0.152743 -0.161375
C 0.628310 0.716033 0.868685
C -1.258741 -1.056253 0.314625
C 1.711991 1.605797 0.218990
C -0.841894 -2.099670 1.367012
C 1.153702 2.649305 -0.766346
C -0.621412 0.207193 -2.535442
C -0.627753 1.363735 2.894966
C -3.428860 0.104727 0.101330
C 3.992113 1.155685 -0.550848
C -1.192472 1.204757 -3.505049
C -0.165769 -4.077509 0.067870
C -1.559788 2.410597 3.451838
C -4.434734 0.922697 0.879030
C 4.782439 0.250155 -1.459912
C 1.027124 -4.752873 -0.564108
H 0.658391 -0.824654 -0.605138
H 1.100358 0.057197 1.620332
H -1.667110 -1.567573 -0.576916
H 2.245102 2.163520 1.018277
H -1.708555 -2.735086 1.615132
H -0.417783 -1.643749 2.273468
H 0.271154 3.204606 -0.376309
H -0.686709 2.179281 -3.395624
H -1.078116 0.832501 -4.533083
H -2.265284 1.344948 -3.281738
H -2.597787 2.134769 3.190720
H -1.475975 2.436987 4.548570
H -1.350139 3.402399 3.022951
H -4.586835 0.504028 1.886956
H -5.387751 0.953476 0.331231
H -4.056826 1.955827 0.989050
H 4.504248 -0.804484 -1.304321
H 5.858769 0.395939 -1.288677
H 4.547469 0.505569 -2.508997
H 1.252751 -4.254778 -1.525304
H 0.793168 -5.808636 -0.765825
H 1.916314 -4.668553 0.079780


