%chk=000020168.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020168

0 1
 O    1.386300       2.053800      0.1335000    
 O   -2.745600       1.020400      8.8999998E-03
 O   0.2904000     -0.1368000       1.213400    
 O    3.147600       3.138000       1.144200    
 O   -3.054900      0.9305000      -2.270500    
 O   0.1910000      -1.715100       2.886200    
 C  -0.8542000       2.039600       1.189300    
 C   0.4597000       2.807600      0.9033000    
 C   -1.518500       1.716400     -0.1696000    
 C  -0.5764000      0.7181000       1.947000    
 C   -1.796500       2.922100       2.033700    
 C    2.703700       2.319700      0.3538000    
 C   -3.414300      0.6865000      -1.129200    
 C   0.5942000      -1.327400       1.800700    
 C    3.564000       1.471300     -0.5093000    
 C   -4.673700     -3.1199999E-02 -0.8079000    
 C    1.503800      -2.123100      0.9381000    
 C    4.816800       1.112900     -5.5199999E-02
 C   -5.748300      9.1399997E-02  -1.664800    
 C    2.397000      -2.990600       1.532500    
 C    3.083800       1.067100      -1.738100    
 C   -4.730400     -0.7989000      0.3374000    
 C    1.427200      -1.970600     -0.4312000    
 C    5.625000      0.3156000     -0.8657000    
 C   -6.931400     -0.5832000      -1.363200    
 C    3.251400      -3.738400      0.7223000    
 C    3.892000      0.2697000      -2.548400    
 C   -5.913600      -1.473400      0.6388000    
 C    2.281600      -2.718500      -1.241500    
 C    5.162500     -0.1060000      -2.112200    
 C   -7.014000      -1.365400     -0.2116000    
 C    3.193600      -3.602400     -0.6646000    
 H   0.2408000       3.729800      0.3510000    
 H   0.8987000       3.099600       1.866200    
 H  -0.8533000       1.103800     -0.7909000    
 H   -1.719900       2.649800     -0.7116000    
 H   -1.516900      0.1902000       2.149300    
 H  -0.1065000      0.9489000       2.911900    
 H   -2.043800       3.850400       1.507000    
 H   -1.328600       3.193300       2.986700    
 H   -2.735100       2.405400       2.261600    
 H    5.186100       1.431300      0.9150000    
 H   -5.697200      0.7000000      -2.562700    
 H    2.453900      -3.102500       2.611200    
 H    2.103400       1.355000      -2.105600    
 H   -3.883900     -0.9102000       1.008300    
 H   0.7169000      -1.299900     -0.9052000    
 H    6.613500      2.1600001E-02 -0.5255000    
 H   -7.788500     -0.4987000      -2.024900    
 H    3.962400      -4.425800       1.171200    
 H    3.532900     -5.7599999E-02  -3.519700    
 H   -5.977300      -2.085200       1.533900    
 H    2.233800      -2.616600      -2.321700    
 H    5.791200     -0.7277000      -2.742800    
 H   -7.935100      -1.891100      2.2900000E-02
 H    3.858700      -4.184500      -1.295700    


%chk=000020168-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020168

0 1
O 1.541950 2.572420 -0.333973
O -2.338295 0.644504 -0.230941
O 0.475135 0.112811 1.072249
O 2.752366 2.620574 1.665110
O -3.920366 1.798877 -1.509094
O -0.992203 -1.495251 1.933589
C -0.745149 2.275900 0.712731
C 0.402371 3.247925 0.340494
C -1.288233 1.630202 -0.582230
C -0.299143 1.195861 1.735204
C -1.844922 3.129733 1.401431
C 2.677891 2.317541 0.448741
C -3.630101 0.846234 -0.743102
C 0.013259 -1.200735 1.239119
C 3.762887 1.670332 -0.343321
C -4.577835 -0.199061 -0.261687
C 0.857593 -2.186801 0.504379
C 4.960189 1.317547 0.332107
C -5.910369 -0.160500 -0.751183
C 0.511791 -3.560427 0.601289
C 3.627581 1.405415 -1.731416
C -4.186017 -1.202928 0.663923
C 1.974965 -1.792163 -0.275640
C 6.012967 0.701302 -0.374552
C -6.847042 -1.121610 -0.320896
C 1.277219 -4.530057 -0.077418
C 4.684979 0.790438 -2.434773
C -5.131401 -2.159947 1.091179
C 2.738176 -2.766315 -0.952941
C 5.877757 0.436872 -1.758870
C -6.458750 -2.123356 0.601660
C 2.392057 -4.134990 -0.855996
H 0.052294 3.991770 -0.396373
H 0.778373 3.757140 1.246303
H -0.494278 1.065716 -1.095885
H -1.719147 2.392769 -1.256342
H -1.179029 0.739356 2.219019
H 0.374578 1.633439 2.492043
H -2.144497 3.983293 0.766374
H -1.492110 3.528572 2.370558
H -2.743112 2.517928 1.591342
H 5.041718 1.532693 1.402574
H -6.186442 0.625844 -1.461620
H -0.354222 -3.841998 1.209250
H 2.702153 1.686294 -2.241529
H -3.159375 -1.229163 1.041592
H 2.237868 -0.734318 -0.343837
H 6.935562 0.428154 0.148581
H -7.874385 -1.092446 -0.699872
H 1.008732 -5.589290 -0.001791
H 4.582533 0.590224 -3.506812
H -4.831366 -2.932611 1.807160
H 3.601166 -2.456221 -1.552400
H 6.698207 -0.038654 -2.308164
H -7.187474 -2.870050 0.937397
H 2.986945 -4.889786 -1.382736


