%chk=000117443.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117443

0 1
 O   9.9200003E-02   2.761800      0.4622000    
 O    1.319500       1.934700      -1.363700    
 O    6.016200      0.5544000      -1.343200    
 O   -6.415000      0.7624000      0.7450000    
 O    6.904000     -0.6951000      0.5164000    
 O   -6.847400     -0.7957000      -1.041900    
 C   0.6908000      0.4756000      0.4781000    
 C  -0.8118000      0.5748000      0.2483000    
 C    1.145100       1.869100      4.6700001E-02
 C   -1.089200       1.995600      0.7173000    
 C    1.360600     -0.6767000     -0.2533000    
 C   -1.639100     -0.4678000      0.9803000    
 C    2.848200     -0.7033000     -1.5900001E-02
 C   -3.029900     -0.5821000      0.4116000    
 C    3.685900     -3.8999999E-03 -0.8767000    
 C   -4.042800      0.2163000      0.9292000    
 C    3.352200      -1.432000       1.066700    
 C   -3.268800      -1.490100     -0.6254000    
 C    5.040300     -5.8200002E-02 -0.6189000    
 C   -5.299100      7.5999998E-02  0.3763000    
 C    4.728000      -1.470400       1.305500    
 C   -4.550300      -1.612500      -1.167500    
 C    5.547300     -0.7717000      0.4429000    
 C   -5.546100     -0.8138000     -0.6439000    
 C    7.194200      0.1471000     -0.6178000    
 C   -7.391800      0.2054000     -0.1583000    
 H   0.8661000      0.3794000       1.560000    
 H   -1.011500      0.5134000     -0.8304000    
 H    2.079100       2.177200      0.5254000    
 H   -1.928600       2.453500      0.1855000    
 H   -1.287700       2.052300       1.792900    
 H    1.159200     -0.6477000      -1.331600    
 H   0.9364000      -1.631900      8.0499999E-02
 H   -1.690200     -0.2528000       2.055700    
 H   -1.163300      -1.453800      0.9127000    
 H   0.6101000       1.436100      -1.799100    
 H    3.317300      0.5399000      -1.737100    
 H   -3.863800      0.9205000       1.733900    
 H    2.683200      -1.971500       1.732000    
 H   -2.464600      -2.105300      -1.020800    
 H    5.131400      -2.031000       2.141100    
 H   -4.749000      -2.311900      -1.971600    
 H    7.716400       1.043800     -0.2647000    
 H    7.855200     -0.3992000      -1.300400    
 H   -7.812600       1.016500     -0.7636000    
 H   -8.197000     -0.2476000      0.4316000    


%chk=000117443-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117443

0 1
O 0.006060 2.740205 -0.018112
O 1.304968 1.805862 -1.825320
O 6.373785 0.635545 -0.879018
O -6.546087 0.441227 1.483224
O 7.037977 -0.754175 0.967715
O -7.214732 -0.776047 -0.475265
C 0.711424 0.463927 0.117082
C -0.819315 0.439272 -0.191066
C 1.117840 1.866738 -0.368993
C -1.249453 1.926540 -0.064293
C 1.496961 -0.712494 -0.514494
C -1.612974 -0.515225 0.739513
C 2.959931 -0.767030 -0.090306
C -3.093014 -0.617673 0.386643
C 3.927962 0.023289 -0.783274
C -4.071729 0.024345 1.202576
C 3.365683 -1.582154 0.997181
C -3.502800 -1.337327 -0.766415
C 5.248987 -0.043890 -0.340627
C -5.408786 -0.079814 0.813186
C 4.718098 -1.643769 1.436247
C -4.867627 -1.441864 -1.149497
C 5.639888 -0.857276 0.743599
C -5.801314 -0.794481 -0.337140
C 7.524861 0.242741 -0.023274
C -7.692371 0.159135 0.577740
H 0.856711 0.453589 1.216465
H -0.952619 0.112499 -1.239908
H 2.010248 2.298006 0.118195
H -1.863686 2.268533 -0.914803
H -1.788743 2.134513 0.877605
H 1.418234 -0.618412 -1.612403
H 0.997141 -1.656871 -0.223640
H -1.496403 -0.166784 1.784477
H -1.150970 -1.521039 0.683937
H 1.356881 2.735920 -2.163596
H 3.628484 0.654287 -1.624999
H -3.787501 0.572315 2.105779
H 2.616333 -2.192616 1.514419
H -2.744245 -1.835752 -1.381127
H 5.025046 -2.280049 2.270153
H -5.175851 -2.006073 -2.033303
H 7.893921 1.134366 0.514881
H 8.297747 -0.227263 -0.654625
H -8.015790 1.104138 0.101885
H -8.492860 -0.329113 1.154995


