%chk=000119086.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000119086

0 1
 O    4.686600     -0.4258000     -0.9810000    
 O    5.405100      -2.667800      0.3135000    
 O   -6.293000     -0.3843000       1.603300    
 C    1.477300     -0.3515000     -0.3829000    
 C   0.6189000      0.8876000     -4.6700001E-02
 C  -0.7664000      0.8390000     -0.6934000    
 C   -1.517900     -0.4333000     -0.1702000    
 C    2.774400      4.1099999E-02  0.3603000    
 C    1.542200       2.062500     -0.3569000    
 C    2.947300       1.550900      4.4599999E-02
 C   0.7623000      -1.588100      0.1803000    
 C  -0.6748000      -1.716000     -0.3569000    
 C   -2.915100     -0.5069000     -0.8426000    
 C   -1.581200       2.119000     -0.4226000    
 C    1.736200     -0.5469000      -1.899600    
 C   -3.000100       2.023600     -0.9912000    
 C   -3.657900      0.7684000     -0.4841000    
 C    3.516700       2.313500       1.237000    
 C    3.972900     -0.7651000     -3.8300000E-02
 C   -3.758000      -1.751100     -0.5238000    
 C   -4.419300      -1.673900      0.8411000    
 C   -4.752100      0.8122000      0.2909000    
 C    4.906300       1.822700       1.597000    
 C    4.247300      -2.008400      0.7807000    
 C   -5.257900     -0.4213000      0.9415000    
 H   0.4547000      0.9112000       1.043800    
 H  -0.6590000      0.7609000      -1.782500    
 H   -1.662900     -0.3114000      0.9142000    
 H    2.630100     -8.3800003E-02   1.442600    
 H    1.519800       2.307000      -1.425200    
 H    1.248100       2.963900      0.1908000    
 H    3.613900       1.718400     -0.8109000    
 H   0.7224000      -1.534700       1.275900    
 H    1.311000      -2.502900     -6.8099998E-02
 H  -0.6542000      -1.994700      -1.416700    
 H   -1.147800      -2.550500      0.1731000    
 H   -2.762600     -0.5186000      -1.931700    
 H   -1.080100       2.985900     -0.8687000    
 H   -1.632400       2.303000      0.6587000    
 H    2.323200      -1.455000      -2.079200    
 H   0.8132000     -0.6588000      -2.474500    
 H    2.285200      0.2888000      -2.344400    
 H   -2.967900       2.001400      -2.087100    
 H   -3.564600       2.919700     -0.7082000    
 H    2.857700       2.226000       2.109000    
 H    3.572900       3.380500      0.9890000    
 H   -3.175300      -2.672300     -0.6128000    
 H   -4.549200      -1.829500      -1.283500    
 H   -3.680000      -1.669400       1.648500    
 H   -5.073700      -2.542000      0.9758000    
 H   -5.251900       1.743400      0.5328000    
 H    4.888000      0.8185000       2.028300    
 H    5.571200       1.823600      0.7277000    
 H    5.346700       2.484100       2.350900    
 H    3.409100      -2.700700      0.6957000    
 H    4.393500      -1.737200       1.829900    
 H    6.162000      -2.078300      0.4736000    


%chk=000119086-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000119086

0 1
O 4.777067 -0.573825 -0.959859
O 5.436148 -2.784724 0.390253
O -6.328890 -0.364652 1.746725
C 1.489556 -0.368898 -0.394360
C 0.621744 0.893717 -0.078190
C -0.780229 0.834402 -0.719311
C -1.523880 -0.437800 -0.188008
C 2.813565 0.048556 0.376027
C 1.565422 2.078706 -0.387286
C 2.986841 1.579793 0.059957
C 0.759767 -1.612540 0.167424
C -0.683064 -1.725786 -0.396920
C -2.945613 -0.522960 -0.858459
C -1.600388 2.120741 -0.455144
C 1.781112 -0.545851 -1.908495
C -3.040740 2.023157 -1.042681
C -3.691747 0.762672 -0.519380
C 3.547191 2.379016 1.262924
C 4.015899 -0.801063 0.027242
C -3.796083 -1.773510 -0.526053
C -4.464497 -1.689936 0.863581
C -4.786214 0.785239 0.307390
C 4.948426 1.927348 1.727749
C 4.323581 -2.019781 0.904507
C -5.295375 -0.411244 1.010964
H 0.461911 0.886361 1.025663
H -0.671539 0.732024 -1.821643
H -1.665765 -0.297319 0.907286
H 2.599743 -0.084472 1.458772
H 1.550166 2.319977 -1.467212
H 1.275327 2.996644 0.155878
H 3.704557 1.672648 -0.777878
H 0.707636 -1.536498 1.274410
H 1.311883 -2.543948 -0.069030
H -0.648793 -1.970687 -1.477870
H -1.180954 -2.580320 0.098378
H -2.757147 -0.524067 -1.955506
H -1.083463 2.993950 -0.895966
H -1.667672 2.298448 0.637750
H 2.356012 -1.472293 -2.087554
H 0.851436 -0.616439 -2.497478
H 2.378792 0.285889 -2.316913
H -2.967342 1.985855 -2.149361
H -3.627068 2.920023 -0.773351
H 2.831608 2.314049 2.109886
H 3.591740 3.448986 0.976343
H -3.189643 -2.692983 -0.606351
H -4.593798 -1.857711 -1.290241
H -3.696722 -1.684378 1.665315
H -5.119528 -2.557462 1.056361
H -5.306518 1.726957 0.525240
H 4.940979 0.885782 2.101114
H 5.677251 1.977415 0.898079
H 5.320033 2.567039 2.548767
H 3.420787 -2.662119 0.968291
H 4.543848 -1.659724 1.933617
H 5.783544 -2.275806 -0.398594


