%chk=000171092.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171092

0 1
 O    2.944700      -1.363500      0.3642000    
 O    1.976500      -3.969000      0.7073000    
 C   -2.366600      0.6355000     -0.1670000    
 C   -3.718800      0.4490000      0.5249000    
 C   -1.188900      0.7044000      0.8102000    
 C   -4.856900      0.3631000     -0.4960000    
 C   0.1713000      0.8165000      0.1130000    
 C   -6.204000      0.1379000      0.1945000    
 C    1.342700      0.8957000       1.099600    
 C   -7.381800      7.4800000E-02 -0.7803000    
 C    2.690600       1.019300      0.4346000    
 C    3.426700     -0.1170000      9.8700002E-02
 C   -8.713000     -0.2198000     -0.1060000    
 C    3.199700       2.287600      0.1558000    
 C    4.671900      1.5300000E-02 -0.5161000    
 C    4.444900       2.419700     -0.4589000    
 C    5.181000       1.283600     -0.7947000    
 C    2.754300      -2.235000     -0.7486000    
 C    1.625400      -3.198000     -0.4354000    
 H   -2.388200       1.553000     -0.7679000    
 H   -2.202400     -0.1958000     -0.8642000    
 H   -3.898500       1.285600       1.210700    
 H   -3.696000     -0.4661000       1.128900    
 H   -1.192500     -0.1927000       1.441700    
 H   -1.326300       1.563600       1.478200    
 H   -4.664900     -0.4581000      -1.197000    
 H   -4.895300       1.288400      -1.083200    
 H   0.3084000     -4.5100000E-02 -0.5521000    
 H   0.1738000       1.706700     -0.5288000    
 H   -6.382200      0.9437000      0.9174000    
 H   -6.162100     -0.7970000      0.7671000    
 H    1.195900       1.754200       1.768700    
 H    1.332800      1.8400000E-02   1.758900    
 H   -7.189900     -0.7007000      -1.531300    
 H   -7.458300       1.026700      -1.319100    
 H   -8.684700      -1.185600      0.4082000    
 H   -9.516700     -0.2517000     -0.8481000    
 H   -8.957100      0.5537000      0.6290000    
 H    2.635600       3.181000      0.4102000    
 H    5.261100     -0.8599000     -0.7760000    
 H    4.841300       3.407300     -0.6761000    
 H    6.151300       1.386800      -1.271500    
 H    3.685300      -2.789900     -0.9102000    
 H    2.507600      -1.668900      -1.655100    
 H    1.447000      -3.874100      -1.276500    
 H   0.7056000      -2.652900     -0.2014000    
 H    1.234700      -4.572900      0.8823000    


%chk=000171092-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171092

0 1
O 2.560619 -1.278976 -0.163927
O 2.565048 -4.066771 0.974371
C -2.490272 0.661323 -0.207485
C -3.852486 0.445335 0.489833
C -1.295031 0.657929 0.772037
C -5.050831 0.453313 -0.486054
C 0.067613 0.861224 0.074086
C -6.411626 0.233385 0.212674
C 1.254954 0.868826 1.077212
C -7.610817 0.244055 -0.762819
C 2.603330 1.047647 0.402368
C 3.252662 -0.053603 -0.231818
C -8.966168 0.024583 -0.056351
C 3.250427 2.303080 0.360654
C 4.503425 0.104870 -0.876011
C 4.498098 2.481290 -0.284174
C 5.121498 1.376742 -0.900947
C 3.218756 -2.470578 -0.714432
C 2.328507 -3.667515 -0.419322
H -2.509393 1.624507 -0.759157
H -2.339899 -0.129765 -0.971950
H -3.999946 1.234436 1.256919
H -3.833508 -0.519632 1.038912
H -1.279210 -0.302483 1.329235
H -1.442731 1.454231 1.532188
H -4.902647 -0.333722 -1.255293
H -5.071761 1.419719 -1.032339
H 0.231603 0.054315 -0.666254
H 0.060300 1.816029 -0.489838
H -6.560446 1.019392 0.982713
H -6.392768 -0.733894 0.757684
H 1.099915 1.684901 1.810110
H 1.242093 -0.086755 1.635082
H -7.461311 -0.541378 -1.531957
H -7.628329 1.210680 -1.306837
H -8.985410 -0.948188 0.470727
H -9.805950 0.035772 -0.775559
H -9.153674 0.815260 0.694667
H 2.764677 3.155876 0.851046
H 5.001633 -0.742951 -1.355461
H 4.976277 3.466443 -0.297801
H 6.089567 1.495146 -1.400727
H 4.208349 -2.623019 -0.239205
H 3.354530 -2.352297 -1.810033
H 2.600169 -4.496503 -1.107765
H 1.271718 -3.382581 -0.598981
H 1.783448 -4.561899 1.322580


